#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x31 s LYS 2 N 0.00 4.13 0.90 1.43 1.02 -1.26 -4.65 119.74 121.31 1x31 s LYS 2 Ca 0.00 0.82 -0.11 0.00 0.02 0.00 0.00 55.97 56.70 1x31 s LYS 2 Cb 0.00 -2.52 0.13 0.00 -0.52 0.00 0.00 37.83 34.92 1x31 s LYS 2 CO 0.00 0.19 1.10 -1.25 -0.92 0.00 0.00 175.35 174.47 1x31 s PRO 3 N -2.71 1.20 0.11 -1.68 0.04 -1.26 -4.62 135.00 126.08 1x31 s PRO 3 Ca 0.52 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 1x31 s PRO 3 Cb -0.12 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1x31 s PRO 3 CO 0.18 -2.36 0.50 1.14 0.04 0.00 0.00 177.00 176.51 1x31 s GLN 4 N -4.80 1.13 0.04 4.56 -2.07 -0.55 -3.25 119.66 114.71 1x31 s GLN 4 Ca 0.64 -0.47 -0.22 0.00 -1.82 0.00 0.00 55.36 53.49 1x31 s GLN 4 Cb -0.20 0.51 -0.06 0.00 -1.09 0.00 0.00 33.01 32.17 1x31 s GLN 4 CO 0.58 -0.45 0.66 0.50 -1.32 0.00 0.00 175.29 175.26 1x31 s ARG 5 N -3.34 4.38 0.68 9.60 6.06 -1.25 -0.17 118.95 134.92 1x31 s ARG 5 Ca -0.00 0.88 -0.07 0.00 -2.50 0.00 0.00 55.73 54.04 1x31 s ARG 5 Cb 0.00 -3.32 0.05 0.00 0.06 0.00 0.00 34.95 31.74 1x31 s ARG 5 CO -0.09 0.42 0.99 -0.51 -2.50 0.00 0.00 175.30 173.61 1x31 s LEU 6 N -0.43 2.90 0.73 -0.88 1.43 0.18 -4.91 118.68 117.69 1x31 s LEU 6 Ca 0.33 0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 1x31 s LEU 6 Cb -0.20 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 42.85 1x31 s LEU 6 CO 0.20 -1.49 1.20 -1.54 0.23 0.00 0.00 176.35 174.95 1x31 n SER 7 N -2.86 1.37 -0.03 2.29 3.41 -1.26 -4.82 113.62 111.72 1x31 n SER 7 Ca 0.07 0.70 0.05 0.00 -0.26 0.00 0.00 58.87 59.44 1x31 n SER 7 Cb 0.60 -1.51 0.43 0.00 -0.26 0.00 0.00 64.21 63.47 1x31 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x31 h ALA 8 N -0.20 1.76 -0.50 7.33 0.00 -1.95 -1.49 119.26 124.20 1x31 h ALA 8 Ca -0.48 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1x31 h ALA 8 Cb 1.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x31 h ALA 8 CO 0.49 0.20 0.02 0.00 0.00 0.00 0.00 179.25 179.96 1x31 h ALA 9 N 1.72 1.10 0.00 0.00 0.00 -2.01 -2.75 119.26 117.32 1x31 h ALA 9 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x31 h ALA 9 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1x31 h ALA 9 CO -0.05 0.58 -0.15 1.04 0.00 0.00 0.00 179.25 180.67 1x31 n GLN 10 N -4.22 0.01 -0.72 0.00 6.02 -0.61 -4.14 117.38 113.72 1x31 n GLN 10 Ca 0.03 0.01 0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1x31 n GLN 10 Cb 0.29 -1.51 0.19 0.00 1.02 0.00 0.00 30.24 30.23 1x31 n GLN 10 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1x31 n THR 11 N -1.54 2.24 -1.98 5.09 -2.24 -0.88 -4.97 114.28 109.99 1x31 n THR 11 Ca 0.06 -3.33 -0.42 0.00 -2.27 0.00 0.00 64.05 58.10 1x31 n THR 11 Cb 0.34 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1x31 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x31 s ALA 12 N -3.27 3.68 0.00 6.98 0.00 -1.20 -1.80 121.76 126.15 1x31 s ALA 12 Ca 0.39 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1x31 s ALA 12 Cb 0.37 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1x31 s ALA 12 CO -0.06 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1x31 n GLY 13 N 2.73 1.23 3.76 0.00 0.00 -1.26 -5.06 105.19 106.59 1x31 n GLY 13 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1x31 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 s ALA 14 N -2.23 3.10 0.00 4.61 0.00 -0.74 -4.87 121.76 121.62 1x31 s ALA 14 Ca 0.00 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.10 1x31 s ALA 14 Cb 0.00 -3.48 -0.22 0.00 0.00 0.00 0.00 23.12 19.42 1x31 s ALA 14 CO 0.00 -0.90 3.29 0.54 0.00 0.00 0.00 175.76 178.68 1x31 n ARG 15 N -0.26 1.79 -4.16 0.00 5.12 0.15 -4.81 116.66 114.48 1x31 n ARG 15 Ca 0.06 -0.83 -0.14 0.00 -1.93 0.00 0.00 57.85 55.01 1x31 n ARG 15 Cb 0.45 -1.85 -0.11 0.00 -1.16 0.00 0.00 32.46 29.79 1x31 n ARG 15 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1x31 s ILE 16 N 0.95 0.86 -0.46 0.55 -4.36 -1.26 -4.60 121.20 112.87 1x31 s ILE 16 Ca 0.55 -1.58 -0.07 0.00 -0.26 0.00 0.00 60.65 59.29 1x31 s ILE 16 Cb 0.26 -1.28 0.12 0.00 1.25 0.00 0.00 42.46 42.82 1x31 s ILE 16 CO 0.00 -0.56 0.31 0.21 0.24 0.00 0.00 174.94 175.14 1x31 s ASN 17 N -2.37 5.57 0.00 4.36 3.84 -0.32 -4.93 114.94 121.08 1x31 s ASN 17 Ca 0.04 -1.98 0.10 0.00 0.21 0.00 0.00 52.86 51.23 1x31 s ASN 17 Cb -0.03 -1.95 0.54 0.00 -0.55 0.00 0.00 41.25 39.25 1x31 s ASN 17 CO -0.00 -0.64 1.20 0.54 -2.79 0.00 0.00 177.10 175.41 1x31 n ARG 18 N 4.77 0.17 0.00 0.43 1.74 -1.26 -1.58 116.66 120.92 1x31 n ARG 18 Ca -0.05 0.16 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 1x31 n ARG 18 Cb 0.41 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.64 1x31 n ARG 18 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x31 n ASP 19 N -1.25 1.79 -3.65 0.55 8.00 -1.26 -4.57 116.55 116.16 1x31 n ASP 19 Ca 0.05 -1.44 -0.28 0.00 0.71 0.00 0.00 54.79 53.83 1x31 n ASP 19 Cb 0.08 0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 1x31 n ASP 19 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1x31 s GLU 20 N -2.23 1.40 0.45 -1.24 2.12 -0.62 -5.10 118.70 113.48 1x31 s GLU 20 Ca 0.28 -2.30 -0.22 0.00 0.36 0.00 0.00 54.97 53.09 1x31 s GLU 20 Cb 0.20 -2.26 -0.08 0.00 0.26 0.00 0.00 34.13 32.24 1x31 s GLU 20 CO 0.42 -1.26 1.06 0.00 -0.54 0.00 0.00 175.26 174.95 1x31 s ALA 21 N -0.09 2.97 0.16 6.30 0.00 -1.26 -1.66 121.76 128.18 1x31 s ALA 21 Ca 0.24 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 1x31 s ALA 21 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1x31 s ALA 21 CO -0.09 -0.32 0.06 -0.51 0.00 0.00 0.00 175.76 174.89 1x31 s LEU 22 N -3.07 1.75 0.06 0.00 1.43 0.54 -4.88 118.68 114.51 1x31 s LEU 22 Ca 0.63 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1x31 s LEU 22 Cb -0.21 0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.19 1x31 s LEU 22 CO 0.25 -0.71 -0.10 0.42 0.23 0.00 0.00 176.35 176.44 1x31 s THR 23 N -3.95 0.79 0.28 5.49 -4.23 -1.26 -0.32 115.64 112.44 1x31 s THR 23 Ca 0.27 -1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1x31 s THR 23 Cb 0.07 -0.90 -0.00 0.00 1.34 0.00 0.00 72.50 73.01 1x31 s THR 23 CO 0.05 -0.37 0.47 -1.48 -0.54 0.00 0.00 174.62 172.75 1x31 s LEU 24 N -1.80 0.51 -0.03 4.79 2.34 -0.75 0.15 118.68 123.90 1x31 s LEU 24 Ca -0.05 -1.10 0.04 0.00 0.06 0.00 0.00 54.13 53.08 1x31 s LEU 24 Cb -0.09 1.68 -0.00 0.00 -0.56 0.00 0.00 46.19 47.22 1x31 s LEU 24 CO 0.01 -1.19 -0.13 -0.89 -1.06 0.00 0.00 176.35 173.09 1x31 s THR 25 N -3.70 1.08 -0.17 5.48 2.01 0.46 -0.37 115.64 120.43 1x31 s THR 25 Ca 0.25 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1x31 s THR 25 Cb -0.00 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.62 1x31 s THR 25 CO 0.12 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.63 1x31 s VAL 26 N 0.01 1.11 -1.28 3.82 1.01 -0.24 -0.58 120.40 124.25 1x31 s VAL 26 Ca -0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1x31 s VAL 26 Cb -0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1x31 s VAL 26 CO 0.01 0.11 0.64 0.47 0.00 0.00 0.00 175.10 176.32 1x31 n ASP 27 N 4.87 -2.34 0.00 3.32 9.92 -0.22 -1.74 116.55 130.36 1x31 n ASP 27 Ca -0.12 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.20 1x31 n ASP 27 Cb 0.47 -3.53 0.00 0.00 -0.64 0.00 0.00 41.12 37.42 1x31 n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x31 n GLY 28 N -1.74 0.23 3.29 0.44 0.00 -1.26 -5.00 105.19 101.15 1x31 n GLY 28 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1x31 n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x31 s GLN 29 N -1.09 3.25 0.05 1.61 0.74 -0.71 -5.10 119.66 118.41 1x31 s GLN 29 Ca 0.00 -0.74 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 1x31 s GLN 29 Cb 0.00 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 1x31 s GLN 29 CO 0.00 0.09 0.96 -1.14 -0.55 0.00 0.00 175.29 174.65 1x31 s GLN 30 N 0.64 4.62 0.16 1.67 0.74 -1.26 -1.08 119.66 125.16 1x31 s GLN 30 Ca -0.08 1.42 0.10 0.00 0.05 0.00 0.00 55.36 56.84 1x31 s GLN 30 Cb -0.16 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1x31 s GLN 30 CO 0.03 0.09 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.12 1x31 s LEU 31 N 0.50 2.41 0.04 3.68 1.43 0.50 -4.99 118.68 122.26 1x31 s LEU 31 Ca 0.49 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1x31 s LEU 31 Cb -0.22 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1x31 s LEU 31 CO 0.29 0.06 0.15 -0.44 0.23 0.00 0.00 176.35 176.63 1x31 s SER 32 N -2.51 6.02 0.22 2.29 0.01 -1.26 -1.80 113.70 116.66 1x31 s SER 32 Ca 0.16 0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.57 1x31 s SER 32 Cb -0.08 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.39 1x31 s SER 32 CO 0.08 0.20 0.35 0.00 0.41 0.00 0.00 173.24 174.28 1x31 n ALA 33 N 0.59 -0.48 -2.57 1.44 0.00 0.56 -4.82 120.51 115.24 1x31 n ALA 33 Ca -0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 1x31 n ALA 33 Cb 0.52 0.72 -0.11 0.00 0.00 0.00 0.00 19.45 20.58 1x31 n ALA 33 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x31 s PHE 34 N -4.15 0.85 0.14 0.00 0.08 -1.26 -0.34 117.98 113.30 1x31 s PHE 34 Ca 0.15 -0.65 -0.32 0.00 0.12 0.00 0.00 56.93 56.24 1x31 s PHE 34 Cb -0.01 -0.49 -0.11 0.00 -0.57 0.00 0.00 43.02 41.83 1x31 s PHE 34 CO 0.11 -0.07 1.81 -2.13 -0.10 0.00 0.00 175.22 174.83 1x31 n ARG 35 N 0.83 2.78 0.00 0.44 3.00 -0.67 -1.32 116.66 121.73 1x31 n ARG 35 Ca -0.18 1.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.68 1x31 n ARG 35 Cb 0.57 -2.89 0.00 0.00 0.00 0.00 0.00 32.46 30.14 1x31 n ARG 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x31 n GLY 36 N 4.15 1.04 3.74 5.14 0.00 -1.26 -1.18 105.19 116.83 1x31 n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1x31 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x31 s ASP 37 N -1.17 4.47 0.44 1.61 1.01 -0.43 -4.88 116.67 117.72 1x31 s ASP 37 Ca 0.00 2.10 0.07 0.00 0.71 0.00 0.00 52.55 55.43 1x31 s ASP 37 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1x31 s ASP 37 CO 0.00 -2.07 0.39 0.42 0.21 0.00 0.00 175.17 174.13 1x31 s THR 38 N -2.36 2.47 0.32 -1.27 -4.23 -1.26 -1.11 115.64 108.20 1x31 s THR 38 Ca 0.68 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1x31 s THR 38 Cb -0.23 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 70.97 1x31 s THR 38 CO 0.47 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 177.03 1x31 h VAL 39 N 0.96 1.19 -0.16 2.29 2.07 -0.77 -1.80 116.25 120.04 1x31 h VAL 39 Ca -0.40 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1x31 h VAL 39 Cb 1.27 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1x31 h VAL 39 CO 0.57 0.24 -0.05 0.00 0.02 0.00 0.00 177.57 178.36 1x31 h ALA 40 N 1.48 0.23 -0.29 1.67 0.00 -1.68 -1.50 119.26 119.17 1x31 h ALA 40 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1x31 h ALA 40 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1x31 h ALA 40 CO -0.01 0.00 -0.15 0.66 0.00 0.00 0.00 179.25 179.75 1x31 h SER 41 N 0.02 0.49 -0.62 0.00 4.64 -1.81 -1.97 113.55 114.30 1x31 h SER 41 Ca 0.04 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1x31 h SER 41 Cb 0.50 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1x31 h SER 41 CO 0.02 0.67 0.05 0.00 -0.87 0.00 0.00 176.83 176.70 1x31 h ALA 42 N 1.38 0.83 0.13 5.18 0.00 -1.26 0.41 119.26 125.93 1x31 h ALA 42 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1x31 h ALA 42 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1x31 h ALA 42 CO 0.03 0.63 -0.14 0.52 0.00 0.00 0.00 179.25 180.29 1x31 h MET 43 N 0.96 -0.29 -0.95 0.00 2.86 -0.79 -1.53 114.93 115.19 1x31 h MET 43 Ca 0.18 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1x31 h MET 43 Cb 0.49 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 1x31 h MET 43 CO 0.02 -0.19 0.63 -0.07 1.06 0.00 0.00 176.91 178.36 1x31 h LEU 44 N -0.30 1.09 -2.01 1.22 3.38 -1.18 0.34 115.31 117.85 1x31 h LEU 44 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x31 h LEU 44 Cb 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1x31 h LEU 44 CO -0.04 0.79 -0.09 0.00 0.09 0.00 0.00 178.44 179.19 1x31 h ALA 45 N 1.40 1.27 -0.67 1.53 0.00 -0.46 -2.11 119.26 120.21 1x31 h ALA 45 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1x31 h ALA 45 Cb -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1x31 h ALA 45 CO -0.07 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1x31 n ASN 46 N -3.59 4.68 0.00 0.00 3.02 -0.45 -3.76 115.26 115.17 1x31 n ASN 46 Ca -0.02 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1x31 n ASN 46 Cb 0.21 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1x31 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x31 n GLY 47 N 1.25 0.55 3.29 7.41 0.00 -0.80 -5.02 105.19 111.87 1x31 n GLY 47 Ca 0.26 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1x31 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x31 s LEU 48 N 0.00 3.87 -0.02 0.99 1.43 -0.02 -4.40 118.68 120.53 1x31 s LEU 48 Ca 0.00 -0.90 0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1x31 s LEU 48 Cb 0.00 -1.83 -0.23 0.00 0.03 0.00 0.00 46.19 44.17 1x31 s LEU 48 CO 0.00 -0.22 0.33 -2.11 0.23 0.00 0.00 176.35 174.57 1x31 n ARG 49 N 4.80 0.48 -3.14 1.70 1.85 -1.26 -2.87 116.66 118.21 1x31 n ARG 49 Ca -0.14 -0.13 -0.32 0.00 -1.00 0.00 0.00 57.85 56.25 1x31 n ARG 49 Cb 0.46 -1.34 -0.06 0.00 -1.05 0.00 0.00 32.46 30.47 1x31 n ARG 49 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1x31 s SER 50 N -3.65 6.77 0.00 2.89 0.01 -1.26 -1.87 113.70 116.59 1x31 s SER 50 Ca -0.05 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1x31 s SER 50 Cb 0.09 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1x31 s SER 50 CO 0.61 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 174.05 1x31 s GLY 52 N 0.00 2.75 0.84 0.00 0.00 -1.25 -4.59 107.32 105.07 1x31 s GLY 52 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 1x31 s GLY 52 CO 0.00 1.42 1.12 -1.31 0.00 0.00 0.00 173.10 174.34 1x31 s ASN 53 N -1.51 3.75 0.65 1.64 0.01 -1.26 -4.20 114.94 114.03 1x31 s ASN 53 Ca 0.74 2.02 -0.18 0.00 -0.71 0.00 0.00 52.86 54.74 1x31 s ASN 53 Cb -0.30 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.79 1x31 s ASN 53 CO 0.34 -2.55 1.14 -1.54 -1.51 0.00 0.00 177.10 172.99 1x31 n SER 54 N -3.80 1.41 -0.21 -1.22 3.41 0.86 -4.54 113.62 109.53 1x31 n SER 54 Ca 0.11 0.79 -0.02 0.00 -0.26 0.00 0.00 58.87 59.49 1x31 n SER 54 Cb 0.52 -1.48 0.19 0.00 -0.26 0.00 0.00 64.21 63.18 1x31 n SER 54 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1x31 h MET 55 N 0.35 1.00 0.00 4.33 4.05 -1.81 -2.77 114.93 120.08 1x31 h MET 55 Ca -0.50 -0.13 -0.16 0.00 -0.28 0.00 0.00 59.70 58.64 1x31 h MET 55 Cb 1.35 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 1x31 h MET 55 CO 0.51 0.76 -1.59 0.66 0.23 0.00 0.00 176.91 177.48 1x31 n TYR 56 N -4.34 0.00 1.14 1.39 4.01 -1.26 -4.65 117.16 113.45 1x31 n TYR 56 Ca 0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.93 1x31 n TYR 56 Cb 0.12 -0.40 0.26 0.00 -0.31 0.00 0.00 39.34 39.01 1x31 n TYR 56 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1x31 n LEU 57 N -2.74 1.04 -3.15 7.72 4.77 -1.26 -4.95 117.00 118.43 1x31 n LEU 57 Ca -0.18 -0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.29 1x31 n LEU 57 Cb 0.71 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1x31 n LEU 57 CO 0.11 0.21 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.70 1x31 n ASP 58 N -0.82 -5.27 -4.88 -1.43 2.03 -1.04 -4.95 116.55 100.19 1x31 n ASP 58 Ca 0.10 -0.32 -0.30 0.00 0.52 0.00 0.00 54.79 54.78 1x31 n ASP 58 Cb 0.36 -4.28 -0.02 0.00 -0.72 0.00 0.00 41.12 36.46 1x31 n ASP 58 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x31 s ARG 59 N -5.82 3.72 0.30 -0.67 0.52 -1.26 -4.58 118.95 111.17 1x31 s ARG 59 Ca 0.34 0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 1x31 s ARG 59 Cb -0.16 -2.31 -0.11 0.00 0.52 0.00 0.00 34.95 32.89 1x31 s ARG 59 CO 0.42 -0.17 1.47 -2.14 0.02 0.00 0.00 175.30 174.90 1x31 s PRO 60 N -4.25 4.21 0.10 3.54 0.02 -1.26 -0.09 135.00 137.26 1x31 s PRO 60 Ca 0.52 2.43 0.02 0.00 0.02 0.00 0.00 61.00 63.98 1x31 s PRO 60 Cb -0.10 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 1x31 s PRO 60 CO 0.37 -0.47 -0.06 1.03 -0.33 0.00 0.00 177.00 177.55 1x31 s ARG 61 N -1.03 0.83 0.25 5.54 1.81 -1.26 -4.30 118.95 120.79 1x31 s ARG 61 Ca 0.57 -1.34 -0.04 0.00 -1.72 0.00 0.00 55.73 53.20 1x31 s ARG 61 Cb -0.44 -0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 33.85 1x31 s ARG 61 CO 0.51 -0.03 0.31 0.20 -0.68 0.00 0.00 175.30 175.61 1x31 s GLY 62 N -3.04 1.25 0.16 -3.53 0.00 -1.26 -1.17 107.32 99.73 1x31 s GLY 62 Ca 0.12 -1.45 -0.33 0.00 0.00 0.00 0.00 44.72 43.05 1x31 s GLY 62 CO -0.05 -1.11 1.64 1.39 0.00 0.00 0.00 173.10 174.98 1x31 n ILE 63 N -0.38 0.04 -0.06 0.90 5.41 -0.78 -4.55 119.36 119.94 1x31 n ILE 63 Ca 0.01 -0.01 -0.05 0.00 1.00 0.00 0.00 62.75 63.71 1x31 n ILE 63 Cb 0.64 -1.69 -0.11 0.00 -0.71 0.00 0.00 39.64 37.77 1x31 n ILE 63 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1x31 n PHE 64 N 3.80 0.00 -4.00 1.39 7.35 -1.26 -4.71 117.46 120.02 1x31 n PHE 64 Ca 0.17 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1x31 n PHE 64 Cb 0.31 -0.62 -0.00 0.00 0.35 0.00 0.00 39.48 39.51 1x31 n PHE 64 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1x31 n SER 65 N -2.44 -0.01 -0.99 -2.13 3.41 -1.26 -1.50 113.62 108.70 1x31 n SER 65 Ca -0.20 -1.03 0.05 0.00 -0.26 0.00 0.00 58.87 57.44 1x31 n SER 65 Cb 0.87 0.02 0.11 0.00 -0.26 0.00 0.00 64.21 64.95 1x31 n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x31 n ALA 66 N -2.97 2.91 -3.00 7.33 0.00 -1.26 -4.94 120.51 118.57 1x31 n ALA 66 Ca -0.00 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.73 1x31 n ALA 66 Cb 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1x31 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 67 N -0.32 2.84 0.00 0.00 0.00 -1.26 -4.96 105.19 101.49 1x31 n GLY 67 Ca 0.12 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.97 1x31 n GLY 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x31 n VAL 68 N 0.00 0.55 1.42 1.61 3.14 -1.26 -1.93 118.33 121.85 1x31 n VAL 68 Ca 0.00 0.14 0.14 0.00 -2.96 0.00 0.00 64.34 61.66 1x31 n VAL 68 Cb 0.00 -0.95 0.54 0.00 -1.06 0.00 0.00 33.84 32.37 1x31 n VAL 68 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1x31 n GLU 69 N -1.22 1.00 -1.69 1.45 0.00 -1.26 -4.93 120.64 113.98 1x31 n GLU 69 Ca 0.06 -0.48 -0.56 0.00 0.00 0.00 0.00 57.16 56.18 1x31 n GLU 69 Cb 0.08 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 29.96 1x31 n GLU 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1x31 n GLU 70 N -0.58 1.15 -0.02 3.44 4.07 -0.81 -4.64 120.64 123.25 1x31 n GLU 70 Ca 0.15 0.42 0.06 0.00 -0.06 0.00 0.00 57.16 57.74 1x31 n GLU 70 Cb 0.31 -2.10 -0.15 0.00 -0.06 0.00 0.00 31.44 29.44 1x31 n GLU 70 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1x31 n PRO 71 N 4.84 0.66 -0.11 5.31 -0.04 -1.26 -4.80 135.00 139.60 1x31 n PRO 71 Ca 0.25 -0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.36 1x31 n PRO 71 Cb 0.14 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.96 1x31 n PRO 71 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x31 n ASN 72 N -2.43 1.67 -4.14 3.54 3.02 -1.26 -4.22 115.26 111.44 1x31 n ASN 72 Ca -0.10 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 1x31 n ASN 72 Cb 0.71 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1x31 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x31 n ALA 73 N -4.08 3.95 -2.76 5.41 0.00 -1.26 -4.69 120.51 117.08 1x31 n ALA 73 Ca -0.43 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.04 1x31 n ALA 73 Cb 0.79 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.62 1x31 n ALA 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x31 s LEU 74 N 4.05 4.31 0.09 0.00 1.43 -1.26 -0.21 118.68 127.09 1x31 s LEU 74 Ca 0.54 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1x31 s LEU 74 Cb 0.08 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1x31 s LEU 74 CO 0.04 0.12 0.10 0.27 0.23 0.00 0.00 176.35 177.11 1x31 s ILE 75 N -1.56 0.16 -0.20 -0.59 -4.36 0.77 -1.35 121.20 114.07 1x31 s ILE 75 Ca 0.37 -1.53 -0.07 0.00 -0.26 0.00 0.00 60.65 59.16 1x31 s ILE 75 Cb -0.13 -1.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 1x31 s ILE 75 CO 0.24 -0.71 0.05 -0.89 0.24 0.00 0.00 174.94 173.87 1x31 s THR 76 N -3.92 4.45 -0.26 8.37 2.01 -0.40 -1.83 115.64 124.07 1x31 s THR 76 Ca 0.10 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1x31 s THR 76 Cb 0.06 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1x31 s THR 76 CO -0.08 0.42 0.17 -0.69 -0.69 0.00 0.00 174.62 173.76 1x31 s VAL 77 N 0.84 5.34 0.58 3.82 1.01 0.12 -1.59 120.40 130.52 1x31 s VAL 77 Ca 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1x31 s VAL 77 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1x31 s VAL 77 CO 0.02 0.31 1.14 -0.83 0.00 0.00 0.00 175.10 175.74 1x31 s GLY 78 N 1.33 2.55 0.12 4.51 0.00 0.51 -1.11 107.32 115.23 1x31 s GLY 78 Ca 0.07 0.80 -0.35 0.00 0.00 0.00 0.00 44.72 45.24 1x31 s GLY 78 CO 0.07 1.16 1.20 0.00 0.00 0.00 0.00 173.10 175.53 1x31 n ALA 79 N -1.60 -1.23 0.16 3.20 0.00 -1.24 -4.67 120.51 115.13 1x31 n ALA 79 Ca 0.12 0.50 0.06 0.00 0.00 0.00 0.00 53.44 54.12 1x31 n ALA 79 Cb 0.51 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 18.03 1x31 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 h ARG 80 N 3.70 0.00 -2.71 0.00 2.47 -1.86 -3.47 114.38 112.51 1x31 h ARG 80 Ca -0.45 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.36 1x31 h ARG 80 Cb 1.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.65 1x31 h ARG 80 CO 0.72 0.27 0.48 -3.38 0.56 0.00 0.00 179.97 178.62 1x31 s HIS 81 N -3.08 0.10 -0.69 3.04 -3.43 -1.26 -4.95 115.29 105.02 1x31 s HIS 81 Ca 0.04 -0.60 0.10 0.00 -0.80 0.00 0.00 55.06 53.80 1x31 s HIS 81 Cb 0.07 0.75 0.51 0.00 -1.43 0.00 0.00 32.58 32.48 1x31 s HIS 81 CO 0.72 -1.16 1.30 1.04 -2.00 0.00 0.00 174.74 174.64 1x31 n GLN 82 N -0.65 0.06 -1.42 -0.38 1.13 -1.26 -1.50 117.38 113.36 1x31 n GLN 82 Ca -0.05 0.53 -0.23 0.00 -1.94 0.00 0.00 57.00 55.31 1x31 n GLN 82 Cb 0.60 -1.68 0.10 0.00 0.11 0.00 0.00 30.24 29.36 1x31 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x31 n ALA 83 N -1.61 5.38 -3.10 -1.58 0.00 -1.26 -4.94 120.51 113.40 1x31 n ALA 83 Ca -0.00 -3.45 -0.10 0.00 0.00 0.00 0.00 53.44 49.89 1x31 n ALA 83 Cb 0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 1x31 n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x31 s ASP 84 N -2.52 -0.16 0.29 0.00 2.15 -0.56 -4.28 116.67 111.59 1x31 s ASP 84 Ca 0.55 -0.61 0.02 0.00 0.43 0.00 0.00 52.55 52.95 1x31 s ASP 84 Cb 0.45 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.56 1x31 s ASP 84 CO 0.02 -1.00 0.14 0.27 -0.17 0.00 0.00 175.17 174.43 1x31 s ILE 85 N -3.90 0.41 0.33 4.11 -4.36 -1.26 -4.75 121.20 111.77 1x31 s ILE 85 Ca 0.12 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.22 1x31 s ILE 85 Cb 0.00 -2.55 -0.10 0.00 1.25 0.00 0.00 42.46 41.07 1x31 s ILE 85 CO -0.02 0.00 1.22 0.20 0.24 0.00 0.00 174.94 176.58 1x31 s ASN 86 N -3.35 6.87 -0.09 4.36 0.01 -1.26 -3.66 114.94 117.81 1x31 s ASN 86 Ca 0.36 2.50 0.01 0.00 -0.71 0.00 0.00 52.86 55.03 1x31 s ASN 86 Cb 0.06 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 39.10 1x31 s ASN 86 CO 0.16 -0.45 -0.12 -0.70 -1.51 0.00 0.00 177.10 174.48 1x31 s GLU 87 N -1.78 1.86 0.42 -0.60 2.12 -0.27 -4.38 118.70 116.07 1x31 s GLU 87 Ca 0.49 -0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.47 1x31 s GLU 87 Cb -0.36 -1.64 -0.00 0.00 0.26 0.00 0.00 34.13 32.40 1x31 s GLU 87 CO 0.47 -0.08 0.49 0.45 -0.54 0.00 0.00 175.26 176.05 1x31 s SER 88 N 1.04 5.38 -1.45 -1.70 0.15 -1.26 0.12 113.70 115.98 1x31 s SER 88 Ca -0.07 -0.57 -0.08 0.00 0.70 0.00 0.00 55.95 55.92 1x31 s SER 88 Cb -0.15 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.60 1x31 s SER 88 CO -0.01 -0.73 0.93 0.23 1.20 0.00 0.00 173.24 174.85 1x31 n MET 89 N -1.73 -6.35 -3.95 5.44 2.81 -1.04 -4.94 117.12 107.36 1x31 n MET 89 Ca 0.06 0.80 -0.36 0.00 -1.81 0.00 0.00 57.70 56.39 1x31 n MET 89 Cb 0.60 -5.75 -0.07 0.00 -0.71 0.00 0.00 33.22 27.29 1x31 n MET 89 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x31 s LEU 90 N -7.06 4.19 0.08 4.03 1.43 -0.76 -4.84 118.68 115.74 1x31 s LEU 90 Ca 0.50 0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 53.64 1x31 s LEU 90 Cb -0.23 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 1x31 s LEU 90 CO 0.62 0.35 1.36 -2.84 0.23 0.00 0.00 176.35 176.07 1x31 s PRO 91 N -0.68 4.33 0.61 1.29 0.02 -1.26 -0.16 135.00 139.15 1x31 s PRO 91 Ca 0.13 2.00 0.37 0.00 0.02 0.00 0.00 61.00 63.51 1x31 s PRO 91 Cb -0.12 -3.34 2.02 0.00 0.02 0.00 0.00 34.50 33.08 1x31 s PRO 91 CO 0.03 -0.44 2.27 0.00 -0.33 0.00 0.00 177.00 178.52 1x31 h ALA 92 N 7.04 1.21 0.00 -1.55 0.00 -0.92 -0.94 119.26 124.10 1x31 h ALA 92 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x31 h ALA 92 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x31 h ALA 92 CO 0.86 0.02 0.00 0.25 0.00 0.00 0.00 179.25 180.39 1x31 n THR 93 N -3.41 0.68 -0.13 0.00 -2.24 -1.26 -1.97 114.28 105.95 1x31 n THR 93 Ca -0.03 0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1x31 n THR 93 Cb 0.12 -0.87 0.05 0.00 -2.10 0.00 0.00 70.33 67.52 1x31 n THR 93 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x31 n THR 94 N -2.08 1.08 -3.64 4.28 -2.24 -0.36 -4.63 114.28 106.68 1x31 n THR 94 Ca 0.04 -1.10 -0.39 0.00 -2.27 0.00 0.00 64.05 60.33 1x31 n THR 94 Cb 0.30 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 1x31 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x31 s VAL 95 N -1.16 4.46 0.23 2.28 1.01 -1.19 -4.99 120.40 121.04 1x31 s VAL 95 Ca 0.08 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1x31 s VAL 95 Cb 0.05 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 1x31 s VAL 95 CO 0.04 -0.12 1.27 -0.44 0.00 0.00 0.00 175.10 175.84 1x31 s SER 96 N 1.55 6.95 0.24 3.32 0.01 -1.26 -0.98 113.70 123.53 1x31 s SER 96 Ca 0.02 2.41 -0.30 0.00 1.31 0.00 0.00 55.95 59.39 1x31 s SER 96 Cb -0.18 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.34 1x31 s SER 96 CO 0.06 -0.46 1.22 -0.69 0.41 0.00 0.00 173.24 173.78 1x31 s VAL 97 N -0.27 3.31 0.14 3.43 1.01 -0.26 -4.82 120.40 122.94 1x31 s VAL 97 Ca 0.53 1.19 0.09 0.00 0.00 0.00 0.00 61.98 63.79 1x31 s VAL 97 Cb -0.36 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1x31 s VAL 97 CO 0.41 0.23 -0.21 0.42 0.00 0.00 0.00 175.10 175.94 1x31 s THR 98 N -0.50 1.92 0.07 3.92 -4.23 -1.26 -4.75 115.64 110.82 1x31 s THR 98 Ca 0.51 -1.78 -0.33 0.00 -1.18 0.00 0.00 61.69 58.91 1x31 s THR 98 Cb -0.35 -1.80 -0.12 0.00 1.34 0.00 0.00 72.50 71.57 1x31 s THR 98 CO 0.41 -0.14 1.79 -0.67 -0.54 0.00 0.00 174.62 175.47 1x31 n ASP 99 N 0.65 3.66 0.00 3.99 2.03 -1.26 -1.56 116.55 124.06 1x31 n ASP 99 Ca -0.16 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.15 1x31 n ASP 99 Cb 0.55 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1x31 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x31 n GLY 100 N 4.09 0.53 3.72 0.27 0.00 0.12 -4.97 105.19 108.95 1x31 n GLY 100 Ca 0.19 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1x31 n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x31 n LEU 101 N 0.00 3.90 -4.21 0.99 0.00 -0.60 -4.75 117.00 112.34 1x31 n LEU 101 Ca 0.00 1.19 -0.33 0.00 0.00 0.00 0.00 56.01 56.87 1x31 n LEU 101 Cb 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 43.42 41.74 1x31 n LEU 101 CO 0.00 -0.21 -0.50 0.21 0.00 0.00 0.00 177.39 176.89 1x31 s ASN 102 N 0.01 3.44 0.03 1.96 2.47 -1.26 -0.40 114.94 121.19 1x31 s ASN 102 Ca 0.59 -0.55 0.05 0.00 0.42 0.00 0.00 52.86 53.38 1x31 s ASN 102 Cb -0.55 -1.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.70 1x31 s ASN 102 CO 0.57 0.05 -0.15 0.00 -3.72 0.00 0.00 177.10 173.85 1x31 s ALA 103 N 1.01 1.25 -0.11 1.71 0.00 0.25 -0.36 121.76 125.51 1x31 s ALA 103 Ca -0.02 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1x31 s ALA 103 Cb -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1x31 s ALA 103 CO -0.04 0.25 -0.18 0.99 0.00 0.00 0.00 175.76 176.78 1x31 s THR 104 N -0.78 2.64 0.00 0.00 2.01 -0.62 -1.06 115.64 117.83 1x31 s THR 104 Ca 0.03 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1x31 s THR 104 Cb -0.08 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1x31 s THR 104 CO 0.01 0.54 1.10 -0.76 -0.69 0.00 0.00 174.62 174.82 1x31 s LEU 105 N 0.27 4.34 0.37 4.42 1.43 -1.26 -1.27 118.68 126.98 1x31 s LEU 105 Ca -0.13 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.85 1x31 s LEU 105 Cb -0.16 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1x31 s LEU 105 CO 0.07 -0.41 0.45 -0.76 0.23 0.00 0.00 176.35 175.93 1x31 s LEU 106 N 1.33 3.72 -0.47 1.79 1.43 -0.46 -4.76 118.68 121.26 1x31 s LEU 106 Ca 0.55 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 1x31 s LEU 106 Cb -0.24 -2.51 0.38 0.00 0.03 0.00 0.00 46.19 43.85 1x31 s LEU 106 CO 0.26 -0.55 0.98 -1.20 0.23 0.00 0.00 176.35 176.07 1x31 n SER 107 N -1.64 3.69 0.00 2.29 7.64 -1.26 -3.79 113.62 120.55 1x31 n SER 107 Ca 0.03 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1x31 n SER 107 Cb 0.59 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1x31 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x31 n GLY 108 N -0.23 1.71 3.01 0.23 0.00 -1.26 -4.07 105.19 104.58 1x31 n GLY 108 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 1x31 n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x31 s LEU 109 N 0.00 1.64 0.75 0.99 2.96 -1.26 -5.04 118.68 118.72 1x31 s LEU 109 Ca 0.00 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1x31 s LEU 109 Cb 0.00 -1.13 0.11 0.00 0.50 0.00 0.00 46.19 45.68 1x31 s LEU 109 CO 0.00 -0.05 1.04 -0.83 -1.32 0.00 0.00 176.35 175.19 1x31 s GLY 110 N 1.41 1.75 -0.07 7.98 0.00 -1.26 -4.95 107.32 112.19 1x31 s GLY 110 Ca 0.03 -1.38 -0.00 0.00 0.00 0.00 0.00 44.72 43.37 1x31 s GLY 110 CO -0.09 -0.84 -0.02 0.14 0.00 0.00 0.00 173.10 172.29 1x31 s VAL 111 N -3.28 0.49 -0.06 1.40 1.01 -1.26 -5.04 120.40 113.67 1x31 s VAL 111 Ca 0.65 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 1x31 s VAL 111 Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1x31 s VAL 111 CO 0.46 0.26 0.78 -0.76 0.00 0.00 0.00 175.10 175.84 1x31 s LEU 112 N 1.59 4.32 0.06 3.92 1.43 -1.26 -4.37 118.68 124.37 1x31 s LEU 112 Ca -0.00 1.31 -0.31 0.00 -1.03 0.00 0.00 54.13 54.10 1x31 s LEU 112 Cb -0.13 -3.22 -0.07 0.00 0.03 0.00 0.00 46.19 42.79 1x31 s LEU 112 CO -0.04 -0.17 1.49 -0.62 0.23 0.00 0.00 176.35 177.24 1x31 s ASP 113 N 0.88 6.74 0.49 2.29 -1.08 -1.26 -4.89 116.67 119.84 1x31 s ASP 113 Ca 0.41 2.32 0.26 0.00 -0.52 0.00 0.00 52.55 55.02 1x31 s ASP 113 Cb -0.19 -2.57 1.24 0.00 -1.46 0.00 0.00 42.92 39.95 1x31 s ASP 113 CO 0.20 -0.77 1.98 -0.65 0.52 0.00 0.00 175.17 176.45 1x31 h PRO 114 N 7.71 0.00 -7.00 4.34 0.11 -1.96 -3.44 132.00 131.76 1x31 h PRO 114 Ca -0.41 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.17 1x31 h PRO 114 Cb 1.19 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.41 1x31 h PRO 114 CO 0.90 0.17 0.61 -1.12 -0.21 0.00 0.00 178.00 178.35 1x31 s SER 115 N -6.18 5.83 0.31 -2.05 0.01 -1.26 -4.97 113.70 105.40 1x31 s SER 115 Ca -0.02 2.69 -0.29 0.00 1.31 0.00 0.00 55.95 59.65 1x31 s SER 115 Cb 0.12 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.62 1x31 s SER 115 CO 0.61 -1.18 1.16 -1.61 0.41 0.00 0.00 173.24 172.63 1x31 s GLU 116 N -2.59 4.48 -0.27 12.44 2.02 -1.26 -4.96 118.70 128.56 1x31 s GLU 116 Ca 0.64 1.91 -0.29 0.00 0.02 0.00 0.00 54.97 57.25 1x31 s GLU 116 Cb -0.38 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 1x31 s GLU 116 CO 0.48 0.03 1.34 0.34 0.02 0.00 0.00 175.26 177.46 1x31 s ASP 117 N -0.83 6.67 0.00 -0.19 -1.08 -1.26 -4.88 116.67 115.11 1x31 s ASP 117 Ca 0.48 1.34 0.28 0.00 -0.52 0.00 0.00 52.55 54.13 1x31 s ASP 117 Cb -0.34 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.75 1x31 s ASP 117 CO 0.44 -1.05 1.81 -0.81 0.52 0.00 0.00 175.17 176.07 1x31 n PRO 118 N 7.25 1.15 -1.89 4.34 -0.04 -1.26 -4.94 135.00 139.61 1x31 n PRO 118 Ca 0.15 -0.54 -0.35 0.00 -0.04 0.00 0.00 63.50 62.72 1x31 n PRO 118 Cb 0.46 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1x31 n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x31 s ALA 119 N -2.22 2.47 -0.21 0.55 0.00 -1.26 -4.96 121.76 116.12 1x31 s ALA 119 Ca 0.34 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 1x31 s ALA 119 Cb 0.21 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1x31 s ALA 119 CO 0.41 -1.29 0.14 -0.47 0.00 0.00 0.00 175.76 174.56 1x31 s TYR 120 N -1.76 3.38 -0.03 0.00 5.04 -1.26 -5.00 117.35 117.72 1x31 s TYR 120 Ca 0.75 0.29 0.04 0.00 -2.44 0.00 0.00 57.07 55.71 1x31 s TYR 120 Cb -0.29 -2.20 -0.00 0.00 0.35 0.00 0.00 41.96 39.82 1x31 s TYR 120 CO 0.36 0.21 -0.14 0.71 -1.34 0.00 0.00 175.55 175.35 1x31 s TYR 121 N 0.60 1.37 0.24 4.97 2.02 -1.26 -0.20 117.35 125.09 1x31 s TYR 121 Ca 0.08 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1x31 s TYR 121 Cb -0.12 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1x31 s TYR 121 CO 0.00 -0.10 0.21 0.16 -1.57 0.00 0.00 175.55 174.26 1x31 s ASP 122 N -0.06 0.57 0.27 2.29 1.47 -1.21 -2.74 116.67 117.26 1x31 s ASP 122 Ca -0.00 -1.46 0.11 0.00 1.18 0.00 0.00 52.55 52.38 1x31 s ASP 122 Cb -0.09 0.46 -0.05 0.00 -0.34 0.00 0.00 42.92 42.90 1x31 s ASP 122 CO 0.01 -0.94 -0.18 -1.00 0.68 0.00 0.00 175.17 173.73 1x31 s HIS 123 N -3.90 2.16 -0.00 2.11 3.76 -1.26 -1.69 115.29 116.46 1x31 s HIS 123 Ca 0.38 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1x31 s HIS 123 Cb 0.05 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.78 1x31 s HIS 123 CO 0.16 0.63 0.00 0.08 -0.85 0.00 0.00 174.74 174.76 1x31 s VAL 124 N -2.63 -0.00 -0.17 -0.90 1.01 -0.54 -4.92 120.40 112.26 1x31 s VAL 124 Ca 0.28 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1x31 s VAL 124 Cb -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 36.38 36.33 1x31 s VAL 124 CO 0.13 0.02 -0.20 -1.00 0.00 0.00 0.00 175.10 174.05 1x31 s HIS 125 N 0.18 2.76 0.15 5.22 3.76 -1.26 -0.70 115.29 125.39 1x31 s HIS 125 Ca -0.01 -1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 53.34 1x31 s HIS 125 Cb -0.02 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1x31 s HIS 125 CO -0.00 -0.74 0.11 0.14 -0.85 0.00 0.00 174.74 173.39 1x31 s VAL 126 N 1.16 0.08 0.19 -0.90 -7.23 -0.64 -5.00 120.40 108.06 1x31 s VAL 126 Ca 0.02 -1.85 0.11 0.00 -1.81 0.00 0.00 61.98 58.45 1x31 s VAL 126 Cb -0.14 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1x31 s VAL 126 CO -0.09 -0.36 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.11 1x31 s HIS 127 N -4.06 2.34 0.14 2.82 3.76 -1.26 -1.46 115.29 117.57 1x31 s HIS 127 Ca 0.26 -0.34 -0.15 0.00 -0.15 0.00 0.00 55.06 54.68 1x31 s HIS 127 Cb 0.07 -1.16 0.02 0.00 1.11 0.00 0.00 32.58 32.62 1x31 s HIS 127 CO 0.03 0.50 0.39 -0.08 -0.85 0.00 0.00 174.74 174.74 1x31 s THR 128 N -1.67 0.07 -0.14 1.30 -1.32 -0.85 -4.91 115.64 108.11 1x31 s THR 128 Ca 0.21 -0.80 -0.19 0.00 -1.21 0.00 0.00 61.69 59.71 1x31 s THR 128 Cb -0.08 -1.38 -0.24 0.00 -1.51 0.00 0.00 72.50 69.29 1x31 s THR 128 CO 0.10 -0.30 0.47 0.44 -2.21 0.00 0.00 174.62 173.12 1x31 h ASP 129 N 2.39 0.21 -3.21 8.08 3.32 -1.57 -2.01 116.42 123.63 1x31 h ASP 129 Ca -0.32 -0.77 -0.53 0.00 0.02 0.00 0.00 57.03 55.42 1x31 h ASP 129 Cb 1.25 -0.07 -0.37 0.00 0.22 0.00 0.00 39.33 40.36 1x31 h ASP 129 CO 0.46 1.51 -0.80 -0.69 -1.72 0.00 0.00 179.24 178.00 1x31 s VAL 130 N -2.41 1.05 -0.22 -1.35 1.01 -0.44 -0.45 120.40 117.59 1x31 s VAL 130 Ca -0.23 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1x31 s VAL 130 Cb 0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1x31 s VAL 130 CO 0.70 0.32 0.04 -0.22 0.00 0.00 0.00 175.10 175.94 1x31 s LEU 131 N 1.69 3.43 -0.19 3.92 2.96 -0.28 -1.15 118.68 129.06 1x31 s LEU 131 Ca 0.04 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1x31 s LEU 131 Cb -0.13 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1x31 s LEU 131 CO -0.08 0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.28 1x31 s VAL 132 N 1.15 3.74 -0.35 1.68 1.01 0.78 -0.17 120.40 128.25 1x31 s VAL 132 Ca 0.04 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1x31 s VAL 132 Cb -0.14 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1x31 s VAL 132 CO 0.03 0.44 0.20 -0.69 0.00 0.00 0.00 175.10 175.07 1x31 s VAL 133 N 0.99 4.72 0.00 2.92 1.01 0.07 -1.59 120.40 128.52 1x31 s VAL 133 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1x31 s VAL 133 Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1x31 s VAL 133 CO 0.01 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1x31 n GLY 134 N 5.02 2.70 2.13 4.51 0.00 0.65 -1.13 105.19 119.07 1x31 n GLY 134 Ca -0.13 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 1x31 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 n ALA 135 N 1.55 5.24 -1.85 4.61 0.00 -1.26 -4.00 120.51 124.81 1x31 n ALA 135 Ca 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1x31 n ALA 135 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1x31 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 136 N -0.71 0.43 0.33 0.00 0.00 -1.26 0.09 105.19 104.06 1x31 n GLY 136 Ca 0.46 -1.88 0.09 0.00 0.00 0.00 0.00 46.02 44.70 1x31 n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x31 h PRO 137 N 0.00 0.67 0.11 1.61 0.13 -1.95 -0.43 132.00 132.12 1x31 h PRO 137 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1x31 h PRO 137 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 1x31 h PRO 137 CO 0.00 0.44 -0.05 0.00 -0.23 0.00 0.00 178.00 178.16 1x31 h ALA 138 N 1.60 -0.14 -0.81 -0.56 0.00 -1.92 -1.73 119.26 115.70 1x31 h ALA 138 Ca 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1x31 h ALA 138 Cb 0.75 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1x31 h ALA 138 CO -0.37 -0.41 0.43 0.78 0.00 0.00 0.00 179.25 179.68 1x31 h GLY 139 N -0.48 1.20 0.91 0.00 0.00 -1.60 -0.15 103.07 102.96 1x31 h GLY 139 Ca -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1x31 h GLY 139 CO 0.02 0.52 0.02 1.41 0.00 0.00 0.00 176.54 178.52 1x31 h LEU 140 N 1.13 0.59 -0.60 3.11 3.38 -1.10 0.55 115.31 122.37 1x31 h LEU 140 Ca 0.28 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1x31 h LEU 140 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1x31 h LEU 140 CO -0.04 0.74 0.23 0.00 0.09 0.00 0.00 178.44 179.45 1x31 h ALA 141 N 0.88 0.78 -0.16 1.53 0.00 -1.00 -0.73 119.26 120.55 1x31 h ALA 141 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1x31 h ALA 141 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x31 h ALA 141 CO 0.01 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.72 1x31 h ALA 142 N 1.08 0.21 -0.68 0.00 0.00 -0.85 -2.42 119.26 116.61 1x31 h ALA 142 Ca 0.20 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1x31 h ALA 142 Cb 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1x31 h ALA 142 CO -0.01 -0.15 0.43 0.00 0.00 0.00 0.00 179.25 179.52 1x31 h ALA 143 N 0.85 0.88 -0.08 0.00 0.00 -0.73 -1.05 119.26 119.13 1x31 h ALA 143 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1x31 h ALA 143 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x31 h ALA 143 CO 0.00 0.22 -0.02 -0.09 0.00 0.00 0.00 179.25 179.36 1x31 h ARG 144 N 0.86 -0.01 -0.24 0.00 2.43 -1.03 0.16 114.38 116.55 1x31 h ARG 144 Ca 0.27 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1x31 h ARG 144 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1x31 h ARG 144 CO -0.09 -0.00 0.12 0.93 -1.51 0.00 0.00 179.97 179.42 1x31 h GLU 145 N -0.01 0.34 -0.43 0.20 4.39 -1.10 -1.56 114.58 116.42 1x31 h GLU 145 Ca 0.04 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1x31 h GLU 145 Cb 0.06 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1x31 h GLU 145 CO -0.08 0.34 -0.11 0.00 -1.16 0.00 0.00 179.01 178.00 1x31 h ALA 146 N 0.99 1.01 -0.37 3.43 0.00 -1.07 -2.95 119.26 120.29 1x31 h ALA 146 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1x31 h ALA 146 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1x31 h ALA 146 CO -0.01 0.59 0.20 1.03 0.00 0.00 0.00 179.25 181.07 1x31 h SER 147 N 0.69 0.46 0.37 0.00 0.87 -0.49 -2.58 113.55 112.88 1x31 h SER 147 Ca 0.12 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1x31 h SER 147 Cb 0.58 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1x31 h SER 147 CO 0.04 0.42 0.00 0.54 -0.53 0.00 0.00 176.83 177.30 1x31 n ARG 148 N -4.76 0.12 0.14 2.24 1.74 -0.60 -2.50 116.66 113.04 1x31 n ARG 148 Ca -0.00 0.48 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 1x31 n ARG 148 Cb 0.08 -1.80 0.33 0.00 -1.02 0.00 0.00 32.46 30.05 1x31 n ARG 148 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1x31 h SER 149 N 0.00 0.00 0.00 0.55 4.64 -1.36 -3.47 113.55 113.91 1x31 h SER 149 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x31 h SER 149 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1x31 h SER 149 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1x31 n GLY 150 N 1.25 0.24 3.81 -0.77 0.00 -1.04 -4.82 105.19 103.85 1x31 n GLY 150 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1x31 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 s ALA 151 N -2.02 2.59 -0.09 4.61 0.00 -1.25 -4.97 121.76 120.63 1x31 s ALA 151 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 1x31 s ALA 151 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1x31 s ALA 151 CO 0.00 -1.32 1.16 1.03 0.00 0.00 0.00 175.76 176.63 1x31 s ARG 152 N -4.95 4.34 0.01 0.00 0.52 -1.26 -4.71 118.95 112.91 1x31 s ARG 152 Ca 0.59 1.60 0.05 0.00 -0.52 0.00 0.00 55.73 57.44 1x31 s ARG 152 Cb -0.15 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1x31 s ARG 152 CO 0.54 -0.47 -0.14 0.08 0.02 0.00 0.00 175.30 175.33 1x31 s VAL 153 N 2.40 1.13 -0.06 3.52 1.01 -0.29 -1.33 120.40 126.78 1x31 s VAL 153 Ca 0.53 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1x31 s VAL 153 Cb -0.22 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1x31 s VAL 153 CO 0.19 0.20 -0.10 -0.04 0.00 0.00 0.00 175.10 175.35 1x31 s MET 154 N -0.64 1.50 -0.21 2.72 -1.94 -0.30 0.00 119.30 120.42 1x31 s MET 154 Ca 0.04 -0.34 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 1x31 s MET 154 Cb -0.06 -1.27 0.03 0.00 2.01 0.00 0.00 34.83 35.53 1x31 s MET 154 CO 0.00 0.00 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.69 1x31 s LEU 155 N 0.72 2.66 -0.11 -0.03 2.96 0.13 -0.15 118.68 124.87 1x31 s LEU 155 Ca -0.14 -0.88 0.02 0.00 -0.22 0.00 0.00 54.13 52.92 1x31 s LEU 155 Cb -0.15 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1x31 s LEU 155 CO 0.03 -0.07 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.05 1x31 s LEU 156 N 1.25 2.46 -0.00 -0.68 1.02 -0.62 -0.58 118.68 121.53 1x31 s LEU 156 Ca 0.01 -0.41 -0.00 0.00 0.02 0.00 0.00 54.13 53.75 1x31 s LEU 156 Cb -0.15 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.54 1x31 s LEU 156 CO -0.09 0.18 0.01 -0.62 0.02 0.00 0.00 176.35 175.85 1x31 s ASP 157 N 0.23 0.00 0.45 2.29 2.15 -0.57 -0.25 116.67 120.97 1x31 s ASP 157 Ca -0.11 0.01 0.29 0.00 0.43 0.00 0.00 52.55 53.16 1x31 s ASP 157 Cb -0.16 -0.00 0.97 0.00 -0.30 0.00 0.00 42.92 43.43 1x31 s ASP 157 CO 0.06 -0.02 1.82 1.05 -0.17 0.00 0.00 175.17 177.92 1x31 h GLU 158 N 6.29 0.00 -7.44 4.34 4.11 -1.70 0.22 114.58 120.40 1x31 h GLU 158 Ca -0.27 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.69 1x31 h GLU 158 Cb 1.20 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.53 1x31 h GLU 158 CO 0.50 0.00 0.34 1.03 0.07 0.00 0.00 179.01 180.96 1x31 s ARG 159 N -3.44 2.44 0.39 1.06 0.52 -1.26 -3.79 118.95 114.87 1x31 s ARG 159 Ca 0.04 0.14 0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1x31 s ARG 159 Cb 0.08 -2.06 0.83 0.00 0.52 0.00 0.00 34.95 34.32 1x31 s ARG 159 CO 0.56 -1.22 1.98 -1.35 0.02 0.00 0.00 175.30 175.30 1x31 h PRO 160 N -0.71 0.62 -3.84 3.54 0.11 -1.95 -0.02 132.00 129.74 1x31 h PRO 160 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1x31 h PRO 160 Cb 1.29 -0.14 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 1x31 h PRO 160 CO 0.63 0.41 -0.36 -1.83 -0.21 0.00 0.00 178.00 176.64 1x31 s GLU 161 N -5.57 0.94 0.84 1.05 -1.05 -1.26 -4.61 118.70 109.03 1x31 s GLU 161 Ca -0.09 -1.03 -0.11 0.00 -0.15 0.00 0.00 54.97 53.60 1x31 s GLU 161 Cb 0.19 0.35 0.10 0.00 -0.44 0.00 0.00 34.13 34.33 1x31 s GLU 161 CO 0.76 -0.31 1.10 0.00 0.95 0.00 0.00 175.26 177.76 1x31 s ALA 162 N -3.89 1.86 0.00 -0.84 0.00 -1.26 -4.51 121.76 113.12 1x31 s ALA 162 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1x31 s ALA 162 Cb 0.04 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1x31 s ALA 162 CO -0.08 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 173.92 1x31 n GLY 163 N -0.80 1.18 7.00 0.00 0.00 0.11 -4.91 105.19 107.77 1x31 n GLY 163 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1x31 n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 164 N 0.00 2.80 0.30 -0.02 0.00 -1.15 -1.36 105.19 105.76 1x31 n GLY 164 Ca 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.02 1x31 n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x31 h THR 165 N 0.00 0.00 0.00 2.61 2.02 -1.96 -2.30 112.91 113.27 1x31 h THR 165 Ca 0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1x31 h THR 165 Cb 0.00 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1x31 h THR 165 CO 0.00 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.77 1x31 h LEU 166 N 0.00 0.00 -1.11 2.58 3.38 -1.61 -0.76 115.31 117.79 1x31 h LEU 166 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x31 h LEU 166 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1x31 h LEU 166 CO 0.00 0.05 -0.02 0.03 0.09 0.00 0.00 178.44 178.59 1x31 h ARG 167 N 0.00 0.00 -0.00 1.13 2.47 -1.54 -2.83 114.38 113.61 1x31 h ARG 167 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1x31 h ARG 167 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1x31 h ARG 167 CO 0.01 0.02 -0.63 0.39 0.56 0.00 0.00 179.97 180.31 1x31 n GLU 168 N -3.11 0.25 -3.24 0.04 1.02 -0.32 -3.65 120.64 111.62 1x31 n GLU 168 Ca 0.01 -0.18 -0.21 0.00 -0.02 0.00 0.00 57.16 56.76 1x31 n GLU 168 Cb 0.37 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 1x31 n GLU 168 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x31 n ALA 169 N -1.22 1.11 -3.21 0.62 0.00 -1.02 -4.15 120.51 112.64 1x31 n ALA 169 Ca 0.06 -2.13 -0.13 0.00 0.00 0.00 0.00 53.44 51.25 1x31 n ALA 169 Cb 0.35 0.68 -0.06 0.00 0.00 0.00 0.00 19.45 20.42 1x31 n ALA 169 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x31 s SER 170 N -4.47 -0.36 -0.58 0.00 0.15 -1.26 -4.91 113.70 102.27 1x31 s SER 170 Ca 0.51 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1x31 s SER 170 Cb -0.04 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1x31 s SER 170 CO 0.32 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x31 n GLY 171 N 0.36 0.72 3.43 9.45 0.00 -1.26 -5.01 105.19 112.88 1x31 n GLY 171 Ca -0.18 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1x31 n GLY 171 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x31 s GLU 172 N -1.99 3.19 0.20 1.61 2.12 -1.26 -5.09 118.70 117.47 1x31 s GLU 172 Ca 0.00 -0.65 0.07 0.00 0.36 0.00 0.00 54.97 54.75 1x31 s GLU 172 Cb 0.00 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1x31 s GLU 172 CO 0.00 0.34 0.08 -0.65 -0.54 0.00 0.00 175.26 174.49 1x31 s GLN 173 N 0.02 2.65 -0.05 4.30 -0.21 -1.26 -2.54 119.66 122.56 1x31 s GLN 173 Ca -0.03 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.30 1x31 s GLN 173 Cb -0.14 -2.46 0.02 0.00 1.00 0.00 0.00 33.01 31.42 1x31 s GLN 173 CO 0.04 0.44 -0.07 0.42 -2.12 0.00 0.00 175.29 174.00 1x31 s ILE 174 N -1.89 0.74 -1.52 1.08 1.01 -0.13 -4.51 121.20 115.99 1x31 s ILE 174 Ca 0.30 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 1x31 s ILE 174 Cb -0.09 -0.73 0.08 0.00 0.01 0.00 0.00 42.46 41.74 1x31 s ILE 174 CO 0.21 0.27 0.92 0.47 0.00 0.00 0.00 174.94 176.81 1x31 n ASP 175 N 4.00 -4.77 0.00 3.58 8.00 0.57 -1.82 116.55 126.11 1x31 n ASP 175 Ca -0.24 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1x31 n ASP 175 Cb 0.51 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1x31 n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x31 n GLY 176 N -1.63 0.51 3.26 0.44 0.00 -1.26 -5.02 105.19 101.50 1x31 n GLY 176 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1x31 n GLY 176 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x31 s ILE 177 N -2.25 1.01 0.35 -0.61 -4.36 -0.76 -5.09 121.20 109.49 1x31 s ILE 177 Ca 0.00 -2.03 -0.28 0.00 -0.26 0.00 0.00 60.65 58.08 1x31 s ILE 177 Cb 0.00 -2.00 -0.12 0.00 1.25 0.00 0.00 42.46 41.59 1x31 s ILE 177 CO 0.00 -0.61 1.45 0.47 0.24 0.00 0.00 174.94 176.49 1x31 n ASP 178 N -0.24 3.51 -0.33 4.36 8.00 -1.26 -0.95 116.55 129.64 1x31 n ASP 178 Ca -0.08 1.21 0.16 0.00 0.71 0.00 0.00 54.79 56.79 1x31 n ASP 178 Cb 0.62 -1.58 0.36 0.00 -0.02 0.00 0.00 41.12 40.50 1x31 n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x31 h ALA 179 N 3.12 1.65 -0.75 2.24 0.00 -1.82 0.64 119.26 124.35 1x31 h ALA 179 Ca -0.49 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1x31 h ALA 179 Cb 1.25 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1x31 h ALA 179 CO 0.66 -0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.97 1x31 h ALA 180 N 1.73 1.26 -0.44 0.00 0.00 -1.89 -0.21 119.26 119.71 1x31 h ALA 180 Ca 0.62 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.25 1x31 h ALA 180 Cb 1.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x31 h ALA 180 CO -0.51 0.58 -0.29 1.96 0.00 0.00 0.00 179.25 180.99 1x31 h GLN 181 N 1.06 0.97 -0.39 0.00 4.20 -1.26 -2.28 115.11 117.41 1x31 h GLN 181 Ca 0.26 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1x31 h GLN 181 Cb 0.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1x31 h GLN 181 CO -0.04 1.13 0.22 2.35 -0.67 0.00 0.00 178.83 181.82 1x31 h TRP 182 N 0.81 0.53 -0.68 2.96 7.01 -0.69 -1.09 115.95 124.79 1x31 h TRP 182 Ca 0.09 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1x31 h TRP 182 Cb 0.88 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 1x31 h TRP 182 CO 0.06 0.40 0.38 0.82 -2.79 0.00 0.00 178.44 177.31 1x31 h ILE 183 N 0.50 1.21 -0.48 2.65 2.04 -0.97 -0.82 117.51 121.63 1x31 h ILE 183 Ca 0.14 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1x31 h ILE 183 Cb 0.04 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1x31 h ILE 183 CO -0.02 0.23 0.13 0.44 0.00 0.00 0.00 178.15 178.92 1x31 h ASP 184 N 0.93 0.72 -0.80 1.72 3.32 -1.22 -0.37 116.42 120.72 1x31 h ASP 184 Ca 0.24 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1x31 h ASP 184 Cb 0.03 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1x31 h ASP 184 CO -0.04 0.75 0.53 0.00 -1.72 0.00 0.00 179.24 178.76 1x31 h ALA 185 N 0.99 1.03 -0.06 3.45 0.00 -0.82 0.34 119.26 124.19 1x31 h ALA 185 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x31 h ALA 185 Cb 0.31 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x31 h ALA 185 CO -0.00 0.41 -0.03 0.28 0.00 0.00 0.00 179.25 179.91 1x31 h VAL 186 N 1.07 1.32 -0.30 0.00 2.07 -0.86 -2.40 116.25 117.16 1x31 h VAL 186 Ca 0.30 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1x31 h VAL 186 Cb -0.09 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1x31 h VAL 186 CO -0.08 0.28 -0.04 0.71 0.02 0.00 0.00 177.57 178.47 1x31 h THR 187 N -0.24 1.19 -0.47 2.57 1.35 -0.90 -0.90 112.91 115.51 1x31 h THR 187 Ca 0.01 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 1x31 h THR 187 Cb 0.46 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1x31 h THR 187 CO 0.01 0.27 0.18 -0.33 -0.25 0.00 0.00 175.52 175.39 1x31 h GLU 188 N 0.44 0.71 -0.71 4.72 5.08 -0.91 -0.06 114.58 123.85 1x31 h GLU 188 Ca 0.09 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1x31 h GLU 188 Cb 0.35 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1x31 h GLU 188 CO 0.01 0.65 0.29 1.49 -1.00 0.00 0.00 179.01 180.46 1x31 h GLU 189 N 0.62 1.06 -0.63 2.33 4.81 -0.88 -1.16 114.58 120.72 1x31 h GLU 189 Ca 0.16 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1x31 h GLU 189 Cb 0.21 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1x31 h GLU 189 CO -0.01 0.87 0.19 -0.07 -0.73 0.00 0.00 179.01 179.26 1x31 h LEU 190 N 1.02 0.90 -0.85 1.64 3.38 -0.88 -1.73 115.31 118.79 1x31 h LEU 190 Ca 0.24 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1x31 h LEU 190 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1x31 h LEU 190 CO -0.02 0.85 -0.04 0.00 0.09 0.00 0.00 178.44 179.31 1x31 h ALA 191 N 1.27 1.04 0.00 1.53 0.00 -0.50 -2.72 119.26 119.87 1x31 h ALA 191 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1x31 h ALA 191 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1x31 h ALA 191 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1x31 n ALA 192 N -2.48 2.26 -2.57 0.00 0.00 -0.49 -4.78 120.51 112.46 1x31 n ALA 192 Ca 0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1x31 n ALA 192 Cb 0.33 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1x31 n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 s ALA 193 N -3.08 3.47 0.34 0.00 0.00 -0.69 -4.96 121.76 116.84 1x31 s ALA 193 Ca 0.11 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.62 1x31 s ALA 193 Cb 0.14 -3.48 0.62 0.00 0.00 0.00 0.00 23.12 20.39 1x31 s ALA 193 CO 0.57 -0.72 1.83 1.49 0.00 0.00 0.00 175.76 178.93 1x31 h GLU 194 N 7.32 0.32 -0.53 0.00 4.81 -1.86 -3.11 114.58 121.52 1x31 h GLU 194 Ca -0.32 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1x31 h GLU 194 Cb 1.15 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1x31 h GLU 194 CO 0.88 0.51 0.00 0.39 -0.73 0.00 0.00 179.01 180.06 1x31 n GLU 195 N -4.19 3.80 -4.68 1.92 -0.58 -1.26 -4.94 120.64 110.71 1x31 n GLU 195 Ca -0.00 -2.88 -0.33 0.00 -0.42 0.00 0.00 57.16 53.52 1x31 n GLU 195 Cb 0.33 -1.92 -0.13 0.00 -0.57 0.00 0.00 31.44 29.16 1x31 n GLU 195 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1x31 s THR 196 N -2.18 3.45 -0.14 2.62 2.01 -1.18 -1.14 115.64 119.07 1x31 s THR 196 Ca 0.48 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1x31 s THR 196 Cb 0.34 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.44 1x31 s THR 196 CO 0.19 0.56 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.61 1x31 s THR 197 N -0.32 1.77 -0.26 -0.82 2.01 0.10 -4.87 115.64 113.25 1x31 s THR 197 Ca 0.04 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1x31 s THR 197 Cb -0.13 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1x31 s THR 197 CO 0.02 0.49 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.12 1x31 s HIS 198 N 1.14 3.10 -0.19 4.92 2.46 -1.26 -0.69 115.29 124.77 1x31 s HIS 198 Ca -0.01 -1.57 -0.00 0.00 0.47 0.00 0.00 55.06 53.95 1x31 s HIS 198 Cb -0.14 -2.07 0.01 0.00 -0.13 0.00 0.00 32.58 30.25 1x31 s HIS 198 CO -0.06 -0.73 -0.16 -0.51 -2.47 0.00 0.00 174.74 170.81 1x31 s LEU 199 N 1.32 2.35 0.55 8.88 1.43 0.25 -4.98 118.68 128.48 1x31 s LEU 199 Ca -0.00 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1x31 s LEU 199 Cb -0.17 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.57 1x31 s LEU 199 CO -0.04 0.01 0.76 -1.10 0.23 0.00 0.00 176.35 176.21 1x31 s GLN 200 N 1.27 2.38 -1.01 1.70 -1.52 -1.26 -1.52 119.66 119.70 1x31 s GLN 200 Ca 0.04 -1.49 0.00 0.00 -1.95 0.00 0.00 55.36 51.95 1x31 s GLN 200 Cb -0.14 -2.65 0.00 0.00 -0.22 0.00 0.00 33.01 30.01 1x31 s GLN 200 CO -0.09 -0.77 0.00 0.54 -0.25 0.00 0.00 175.29 174.72 1x31 n ARG 201 N -2.20 -2.21 -4.47 2.91 1.74 -0.02 -4.74 116.66 107.66 1x31 n ARG 201 Ca 0.14 0.57 -0.30 0.00 -0.77 0.00 0.00 57.85 57.49 1x31 n ARG 201 Cb 0.61 -5.14 -0.17 0.00 -1.02 0.00 0.00 32.46 26.74 1x31 n ARG 201 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x31 s THR 202 N -2.54 1.68 -0.23 0.55 2.01 -0.12 -1.13 115.64 115.85 1x31 s THR 202 Ca 0.00 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 1x31 s THR 202 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1x31 s THR 202 CO 0.00 0.48 0.06 -0.89 -0.69 0.00 0.00 174.62 173.58 1x31 s THR 203 N 0.99 4.37 -0.46 -0.82 2.01 -0.36 -1.96 115.64 119.40 1x31 s THR 203 Ca -0.05 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 1x31 s THR 203 Cb -0.15 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.37 1x31 s THR 203 CO -0.03 0.37 1.08 -0.69 -0.69 0.00 0.00 174.62 174.66 1x31 s VAL 204 N 1.29 4.30 -0.26 3.82 1.01 -1.26 -0.47 120.40 128.82 1x31 s VAL 204 Ca 0.05 1.14 0.15 0.00 0.00 0.00 0.00 61.98 63.32 1x31 s VAL 204 Cb -0.15 -4.55 -0.21 0.00 0.00 0.00 0.00 36.38 31.48 1x31 s VAL 204 CO 0.03 -0.93 0.44 2.22 0.00 0.00 0.00 175.10 176.86 1x31 n PHE 205 N 7.60 0.00 -3.83 5.22 1.16 0.11 -4.68 117.46 123.04 1x31 n PHE 205 Ca 0.10 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.56 1x31 n PHE 205 Cb 0.49 -0.22 -0.14 0.00 -1.61 0.00 0.00 39.48 38.00 1x31 n PHE 205 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1x31 s GLY 206 N -3.27 -0.03 -0.16 4.97 0.00 -0.92 -1.67 107.32 106.23 1x31 s GLY 206 Ca -0.02 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.94 1x31 s GLY 206 CO 0.62 0.28 -0.08 -0.45 0.00 0.00 0.00 173.10 173.47 1x31 s SER 207 N 0.23 2.84 0.50 1.64 0.15 -1.26 -1.12 113.70 116.68 1x31 s SER 207 Ca -0.02 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.02 1x31 s SER 207 Cb -0.03 -1.03 -0.01 0.00 -1.71 0.00 0.00 66.02 63.24 1x31 s SER 207 CO -0.01 -0.14 0.01 -0.31 1.20 0.00 0.00 173.24 173.99 1x31 s TYR 208 N 1.56 1.86 0.19 3.44 2.02 -0.04 -4.40 117.35 121.98 1x31 s TYR 208 Ca 0.02 -0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 55.44 1x31 s TYR 208 Cb -0.15 -1.57 -0.17 0.00 -0.40 0.00 0.00 41.96 39.67 1x31 s TYR 208 CO -0.08 0.19 0.66 -0.25 -1.57 0.00 0.00 175.55 174.49 1x31 n ASP 209 N -1.27 -0.72 -3.85 2.29 10.43 -1.26 -2.29 116.55 119.88 1x31 n ASP 209 Ca -0.18 1.14 -0.27 0.00 2.57 0.00 0.00 54.79 58.05 1x31 n ASP 209 Cb 0.67 -1.00 0.02 0.00 1.84 0.00 0.00 41.12 42.65 1x31 n ASP 209 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1x31 n ALA 210 N 0.23 -1.61 -3.81 2.24 0.00 -1.26 -2.71 120.51 113.59 1x31 n ALA 210 Ca 0.17 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 1x31 n ALA 210 Cb 0.24 -3.28 0.02 0.00 0.00 0.00 0.00 19.45 16.43 1x31 n ALA 210 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x31 n ASN 211 N -2.92 -2.15 -4.48 0.00 3.02 -1.07 -4.68 115.26 102.97 1x31 n ASN 211 Ca -0.11 -0.84 -0.43 0.00 -0.03 0.00 0.00 54.58 53.17 1x31 n ASN 211 Cb 0.59 -3.84 -0.08 0.00 -0.61 0.00 0.00 39.78 35.84 1x31 n ASN 211 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x31 s TYR 212 N -3.59 3.15 -0.08 3.10 5.04 -0.97 -1.57 117.35 122.44 1x31 s TYR 212 Ca 0.21 -0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1x31 s TYR 212 Cb -0.11 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 1x31 s TYR 212 CO 0.83 -0.74 0.04 0.42 -1.34 0.00 0.00 175.55 174.76 1x31 s ILE 213 N 2.24 4.59 -0.15 3.14 -1.09 0.13 -0.86 121.20 129.19 1x31 s ILE 213 Ca 0.13 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1x31 s ILE 213 Cb -0.17 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1x31 s ILE 213 CO 0.14 0.56 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.48 1x31 s LEU 214 N -1.06 2.37 0.08 2.97 1.43 -0.28 -0.13 118.68 124.05 1x31 s LEU 214 Ca 0.15 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1x31 s LEU 214 Cb -0.12 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1x31 s LEU 214 CO 0.05 0.08 -0.13 0.00 0.23 0.00 0.00 176.35 176.58 1x31 s ALA 215 N 0.85 1.15 -0.27 4.21 0.00 -0.32 -0.71 121.76 126.67 1x31 s ALA 215 Ca -0.05 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 1x31 s ALA 215 Cb -0.15 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1x31 s ALA 215 CO -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 175.76 175.79 1x31 s ALA 216 N -1.60 2.68 -0.25 0.00 0.00 0.38 -0.19 121.76 122.77 1x31 s ALA 216 Ca 0.00 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.16 1x31 s ALA 216 Cb -0.08 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1x31 s ALA 216 CO 0.02 -1.07 0.38 -1.14 0.00 0.00 0.00 175.76 173.94 1x31 s GLN 217 N 1.23 4.07 -0.55 0.00 0.74 0.18 -1.22 119.66 124.10 1x31 s GLN 217 Ca -0.04 0.09 -0.22 0.00 0.05 0.00 0.00 55.36 55.23 1x31 s GLN 217 Cb -0.19 -3.61 0.06 0.00 1.10 0.00 0.00 33.01 30.37 1x31 s GLN 217 CO -0.04 -0.19 0.82 1.03 -0.55 0.00 0.00 175.29 176.36 1x31 s ARG 218 N 1.79 3.21 -0.14 1.67 3.00 -0.28 -0.64 118.95 127.55 1x31 s ARG 218 Ca 0.16 -0.64 -0.23 0.00 0.00 0.00 0.00 55.73 55.02 1x31 s ARG 218 Cb -0.15 -4.11 -0.25 0.00 0.00 0.00 0.00 34.95 30.44 1x31 s ARG 218 CO 0.09 -1.44 0.59 0.00 0.00 0.00 0.00 175.30 174.53 1x31 h ARG 219 N 9.23 0.09 0.00 3.54 3.08 -1.11 -3.42 114.38 125.78 1x31 h ARG 219 Ca -0.27 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1x31 h ARG 219 Cb 1.08 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1x31 h ARG 219 CO 1.06 1.08 0.00 0.25 -1.07 0.00 0.00 179.97 181.28 1x31 n THR 220 N -4.34 0.88 0.23 2.04 -2.24 -0.97 -4.75 114.28 105.13 1x31 n THR 220 Ca -0.20 -0.90 0.09 0.00 -2.27 0.00 0.00 64.05 60.78 1x31 n THR 220 Cb 0.67 0.56 0.65 0.00 -2.10 0.00 0.00 70.33 70.12 1x31 n THR 220 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x31 h VAL 221 N 0.26 0.96 -0.42 2.28 2.07 -1.82 -1.70 116.25 117.87 1x31 h VAL 221 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1x31 h VAL 221 Cb 0.53 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1x31 h VAL 221 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1x31 n HIS 222 N -4.50 0.66 -3.76 1.57 1.44 -1.26 -4.92 115.22 104.45 1x31 n HIS 222 Ca -0.02 -0.31 -0.37 0.00 -2.01 0.00 0.00 57.72 55.02 1x31 n HIS 222 Cb 0.14 -0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 1x31 n HIS 222 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1x31 s LEU 223 N -1.08 4.41 0.18 2.39 1.43 -0.64 -4.87 118.68 120.49 1x31 s LEU 223 Ca 0.29 0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 53.88 1x31 s LEU 223 Cb 0.16 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 44.21 1x31 s LEU 223 CO 0.18 0.38 1.81 0.44 0.23 0.00 0.00 176.35 179.39 1x31 h ASP 224 N 4.85 0.69 -1.41 2.29 3.32 -1.91 -3.39 116.42 120.86 1x31 h ASP 224 Ca -0.54 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.25 1x31 h ASP 224 Cb 1.23 -0.18 -0.24 0.00 0.22 0.00 0.00 39.33 40.36 1x31 h ASP 224 CO 0.59 0.56 -0.55 -0.83 -1.72 0.00 0.00 179.24 177.29 1x31 s GLY 225 N -2.84 -0.72 -0.13 2.75 0.00 -1.26 -4.78 107.32 100.34 1x31 s GLY 225 Ca -0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 1x31 s GLY 225 CO 0.76 3.26 1.29 2.56 0.00 0.00 0.00 173.10 180.97 1x31 s PRO 226 N 1.66 4.25 0.00 2.90 0.04 -1.26 -5.02 135.00 137.57 1x31 s PRO 226 Ca 0.16 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1x31 s PRO 226 Cb -0.09 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1x31 s PRO 226 CO -0.05 -0.67 0.00 -1.13 0.04 0.00 0.00 177.00 175.19 1x31 n SER 227 N 6.34 0.00 -1.54 6.66 3.41 -1.26 -5.00 113.62 122.23 1x31 n SER 227 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1x31 n SER 227 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1x31 n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x31 n GLY 228 N 3.25 -0.02 3.79 5.00 0.00 -1.26 -4.85 105.19 111.10 1x31 n GLY 228 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1x31 n GLY 228 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x31 s GLN 229 N -0.00 4.51 0.00 1.61 2.00 -1.26 -3.50 119.66 123.02 1x31 s GLN 229 Ca 0.00 1.15 0.00 0.00 -2.00 0.00 0.00 55.36 54.51 1x31 s GLN 229 Cb 0.00 -3.03 0.00 0.00 0.80 0.00 0.00 33.01 30.78 1x31 s GLN 229 CO 0.00 0.44 0.00 0.41 -0.50 0.00 0.00 175.29 175.64 1x31 n GLY 230 N 1.05 0.74 3.49 2.59 0.00 -1.26 -5.00 105.19 106.79 1x31 n GLY 230 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1x31 n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x31 s VAL 231 N -2.95 5.18 0.39 1.61 1.01 -1.23 -5.05 120.40 119.35 1x31 s VAL 231 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 1x31 s VAL 231 Cb 0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 1x31 s VAL 231 CO 0.00 -0.31 1.48 -0.94 0.00 0.00 0.00 175.10 175.33 1x31 s SER 232 N 1.74 6.28 0.01 3.32 1.04 -1.26 -4.74 113.70 120.09 1x31 s SER 232 Ca 0.09 3.04 -0.22 0.00 0.48 0.00 0.00 55.95 59.34 1x31 s SER 232 Cb -0.18 -2.67 -0.18 0.00 0.10 0.00 0.00 66.02 63.10 1x31 s SER 232 CO 0.12 -0.91 1.25 -0.09 0.98 0.00 0.00 173.24 174.58 1x31 h ARG 233 N 2.91 0.30 -4.98 4.02 2.43 -0.98 -3.39 114.38 114.69 1x31 h ARG 233 Ca -0.51 -0.20 -0.39 0.00 -0.81 0.00 0.00 59.98 58.07 1x31 h ARG 233 Cb 1.24 0.03 -0.25 0.00 -0.42 0.00 0.00 29.97 30.57 1x31 h ARG 233 CO 0.64 0.80 -0.78 -1.21 -1.51 0.00 0.00 179.97 177.91 1x31 s GLU 234 N -3.94 0.77 -0.07 0.20 2.02 -1.26 -0.61 118.70 115.82 1x31 s GLU 234 Ca -0.15 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.24 1x31 s GLU 234 Cb 0.04 -0.73 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1x31 s GLU 234 CO 0.75 0.18 -0.11 0.50 0.02 0.00 0.00 175.26 176.60 1x31 s ARG 235 N -0.96 1.60 -0.31 1.61 3.52 0.19 -3.34 118.95 121.25 1x31 s ARG 235 Ca -0.00 -0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.06 1x31 s ARG 235 Cb -0.07 -1.40 -0.01 0.00 -1.56 0.00 0.00 34.95 31.91 1x31 s ARG 235 CO 0.01 -0.04 0.51 0.42 -0.81 0.00 0.00 175.30 175.39 1x31 s ILE 236 N 0.89 5.03 -0.10 4.11 -1.09 -0.68 -0.65 121.20 128.71 1x31 s ILE 236 Ca -0.10 0.56 -0.14 0.00 -2.23 0.00 0.00 60.65 58.74 1x31 s ILE 236 Cb -0.15 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1x31 s ILE 236 CO 0.01 -0.10 0.33 0.26 -1.23 0.00 0.00 174.94 174.22 1x31 s TRP 237 N 2.37 3.57 -0.33 3.97 0.52 0.73 -1.46 118.94 128.31 1x31 s TRP 237 Ca 0.20 0.75 -0.01 0.00 0.02 0.00 0.00 56.10 57.05 1x31 s TRP 237 Cb -0.15 -2.30 0.07 0.00 -1.15 0.00 0.00 33.47 29.93 1x31 s TRP 237 CO 0.12 0.42 0.06 -1.01 0.02 0.00 0.00 176.95 176.55 1x31 s HIS 238 N -0.17 3.41 -0.21 -1.98 3.76 0.12 -1.17 115.29 119.05 1x31 s HIS 238 Ca 0.20 -2.15 -0.03 0.00 -0.15 0.00 0.00 55.06 52.93 1x31 s HIS 238 Cb -0.14 -2.51 -0.01 0.00 1.11 0.00 0.00 32.58 31.03 1x31 s HIS 238 CO 0.08 -0.87 -0.06 0.42 -0.85 0.00 0.00 174.74 173.45 1x31 s ILE 239 N 1.18 3.26 -0.50 0.60 1.01 0.81 -1.62 121.20 125.94 1x31 s ILE 239 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 1x31 s ILE 239 Cb -0.21 -2.46 0.09 0.00 0.01 0.00 0.00 42.46 39.89 1x31 s ILE 239 CO -0.03 0.45 0.44 -0.60 0.00 0.00 0.00 174.94 175.20 1x31 s ARG 240 N 1.31 2.99 -0.11 2.79 6.06 -0.54 0.22 118.95 131.67 1x31 s ARG 240 Ca 0.04 -1.44 -0.05 0.00 -2.50 0.00 0.00 55.73 51.77 1x31 s ARG 240 Cb -0.14 -4.19 -0.04 0.00 0.06 0.00 0.00 34.95 30.64 1x31 s ARG 240 CO -0.03 -1.14 0.09 0.00 -2.50 0.00 0.00 175.30 171.72 1x31 s ALA 241 N 1.69 3.65 0.03 6.12 0.00 -0.61 -2.02 121.76 130.64 1x31 s ALA 241 Ca 0.04 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 1x31 s ALA 241 Cb -0.26 -1.80 -0.15 0.00 0.00 0.00 0.00 23.12 20.91 1x31 s ALA 241 CO 0.06 0.58 1.35 0.87 0.00 0.00 0.00 175.76 178.62 1x31 h LYS 242 N 5.15 0.29 -5.08 0.00 1.57 -1.30 -3.42 116.57 113.78 1x31 h LYS 242 Ca -0.53 -0.14 -0.43 0.00 -1.87 0.00 0.00 60.65 57.68 1x31 h LYS 242 Cb 1.21 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.25 1x31 h LYS 242 CO 0.58 0.67 -0.79 -0.65 -0.57 0.00 0.00 179.45 178.69 1x31 s GLN 243 N -4.38 0.90 -0.05 3.15 -1.52 0.41 -4.88 119.66 113.29 1x31 s GLN 243 Ca -0.14 -0.55 0.04 0.00 -1.95 0.00 0.00 55.36 52.76 1x31 s GLN 243 Cb 0.05 -0.87 -0.00 0.00 -0.22 0.00 0.00 33.01 31.97 1x31 s GLN 243 CO 0.74 0.23 -0.18 0.08 -0.25 0.00 0.00 175.29 175.91 1x31 s VAL 244 N -0.53 1.49 -0.21 1.09 1.01 -0.83 -1.13 120.40 121.28 1x31 s VAL 244 Ca 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1x31 s VAL 244 Cb -0.06 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1x31 s VAL 244 CO 0.00 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 1x31 s VAL 245 N 0.16 3.06 -0.25 2.92 1.01 0.76 -0.02 120.40 128.04 1x31 s VAL 245 Ca -0.07 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1x31 s VAL 245 Cb -0.13 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1x31 s VAL 245 CO 0.03 0.43 0.24 -0.76 0.00 0.00 0.00 175.10 175.05 1x31 s LEU 246 N 1.43 4.07 -0.34 3.92 1.43 0.38 -0.75 118.68 128.82 1x31 s LEU 246 Ca 0.05 0.16 0.16 0.00 -1.03 0.00 0.00 54.13 53.47 1x31 s LEU 246 Cb -0.14 -2.23 0.43 0.00 0.03 0.00 0.00 46.19 44.28 1x31 s LEU 246 CO -0.05 -0.04 0.90 0.00 0.23 0.00 0.00 176.35 177.39 1x31 n ALA 247 N 4.78 3.15 1.96 4.21 0.00 -0.29 -1.64 120.51 132.68 1x31 n ALA 247 Ca -0.12 -3.26 0.14 0.00 0.00 0.00 0.00 53.44 50.19 1x31 n ALA 247 Cb 0.52 -0.92 0.85 0.00 0.00 0.00 0.00 19.45 19.90 1x31 n ALA 247 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x31 n THR 248 N 0.01 0.00 -4.64 0.00 -2.24 -1.23 -4.41 114.28 101.77 1x31 n THR 248 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1x31 n THR 248 Cb 0.77 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1x31 n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x31 n ALA 249 N -0.96 0.00 -2.90 6.98 0.00 -1.26 -4.62 120.51 117.76 1x31 n ALA 249 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 1x31 n ALA 249 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.43 1x31 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 s ALA 250 N -1.64 0.26 0.09 0.00 0.00 -1.26 -0.39 121.76 118.82 1x31 s ALA 250 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1x31 s ALA 250 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1x31 s ALA 250 CO 0.00 -0.05 0.33 -1.01 0.00 0.00 0.00 175.76 175.03 1x31 s HIS 251 N -0.96 3.52 0.53 0.00 3.76 -0.02 -4.83 115.29 117.29 1x31 s HIS 251 Ca -0.09 0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 55.19 1x31 s HIS 251 Cb -0.07 -1.99 -0.07 0.00 1.11 0.00 0.00 32.58 31.56 1x31 s HIS 251 CO -0.00 0.51 1.04 -2.00 -0.85 0.00 0.00 174.74 173.44 1x31 s GLU 252 N -2.31 3.63 -0.05 1.40 2.12 -1.26 -0.03 118.70 122.19 1x31 s GLU 252 Ca 0.36 1.28 0.04 0.00 0.36 0.00 0.00 54.97 57.00 1x31 s GLU 252 Cb -0.13 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1x31 s GLU 252 CO 0.22 -0.56 -0.15 0.50 -0.54 0.00 0.00 175.26 174.73 1x31 s ARG 253 N -3.60 2.51 0.45 4.30 3.52 -0.34 -4.80 118.95 120.99 1x31 s ARG 253 Ca 0.65 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 55.52 1x31 s ARG 253 Cb -0.16 -2.37 0.10 0.00 -1.56 0.00 0.00 34.95 30.95 1x31 s ARG 253 CO 0.27 0.62 0.61 -0.35 -0.81 0.00 0.00 175.30 175.64 1x31 n PRO 254 N 2.33 -0.11 -5.24 5.12 -0.04 -1.26 -0.07 135.00 135.73 1x31 n PRO 254 Ca -0.17 -1.37 -0.31 0.00 -0.04 0.00 0.00 63.50 61.60 1x31 n PRO 254 Cb 0.52 -0.50 -0.16 0.00 -0.04 0.00 0.00 33.50 33.33 1x31 n PRO 254 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x31 s ILE 255 N -1.94 2.21 -0.54 0.52 1.01 -1.26 -4.29 121.20 116.91 1x31 s ILE 255 Ca 0.38 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1x31 s ILE 255 Cb -0.02 -1.78 0.05 0.00 0.01 0.00 0.00 42.46 40.72 1x31 s ILE 255 CO 0.26 0.58 0.82 -0.69 0.00 0.00 0.00 174.94 175.91 1x31 s VAL 256 N -0.60 4.57 0.20 2.92 1.01 -1.26 -4.96 120.40 122.28 1x31 s VAL 256 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1x31 s VAL 256 Cb -0.10 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 1x31 s VAL 256 CO -0.00 -1.00 0.30 0.72 0.00 0.00 0.00 175.10 175.11 1x31 s PHE 257 N 3.45 0.62 0.24 5.22 -0.12 -1.26 -1.33 117.98 124.80 1x31 s PHE 257 Ca 0.24 -0.94 -0.31 0.00 -0.05 0.00 0.00 56.93 55.87 1x31 s PHE 257 Cb -0.15 -0.13 -0.11 0.00 -0.63 0.00 0.00 43.02 42.00 1x31 s PHE 257 CO 0.16 -0.79 1.65 -2.00 -0.05 0.00 0.00 175.22 174.19 1x31 s GLU 258 N -4.04 4.14 -1.38 1.99 2.12 -1.25 -2.99 118.70 117.29 1x31 s GLU 258 Ca 0.26 2.56 -0.04 0.00 0.36 0.00 0.00 54.97 58.11 1x31 s GLU 258 Cb 0.03 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.39 1x31 s GLU 258 CO 0.07 -0.68 0.79 0.09 -0.54 0.00 0.00 175.26 174.99 1x31 n ASN 259 N 3.16 -2.31 -1.68 -1.70 3.02 0.42 -3.91 115.26 112.26 1x31 n ASN 259 Ca 0.12 -0.81 -0.06 0.00 -0.03 0.00 0.00 54.58 53.81 1x31 n ASN 259 Cb 0.37 -4.01 0.21 0.00 -0.61 0.00 0.00 39.78 35.73 1x31 n ASN 259 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1x31 n ASN 260 N -2.99 3.96 0.00 6.41 6.94 -1.16 -4.21 115.26 124.20 1x31 n ASN 260 Ca -0.20 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.47 1x31 n ASN 260 Cb 0.63 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1x31 n ASN 260 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1x31 n ASP 261 N -0.10 1.45 -4.77 0.53 5.75 -1.26 -4.94 116.55 113.21 1x31 n ASP 261 Ca 0.31 -1.52 -0.38 0.00 -0.01 0.00 0.00 54.79 53.19 1x31 n ASP 261 Cb 1.13 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 41.20 1x31 n ASP 261 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1x31 s ARG 262 N -0.52 3.99 0.08 0.11 0.52 -1.26 -4.61 118.95 117.26 1x31 s ARG 262 Ca 0.00 1.81 -0.34 0.00 -0.52 0.00 0.00 55.73 56.68 1x31 s ARG 262 Cb 0.00 -2.61 -0.13 0.00 0.52 0.00 0.00 34.95 32.73 1x31 s ARG 262 CO 0.00 -0.36 1.70 -2.30 0.02 0.00 0.00 175.30 174.36 1x31 n PRO 263 N -0.06 2.23 0.00 3.54 -0.02 -1.26 -0.97 135.00 138.46 1x31 n PRO 263 Ca 0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1x31 n PRO 263 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1x31 n PRO 263 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x31 n GLY 264 N 3.81 1.71 3.66 -1.23 0.00 -1.26 -1.03 105.19 110.84 1x31 n GLY 264 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1x31 n GLY 264 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x31 s ILE 265 N -1.76 4.97 0.07 -0.61 1.01 -0.14 -0.69 121.20 124.04 1x31 s ILE 265 Ca 0.00 1.32 -0.07 0.00 0.00 0.00 0.00 60.65 61.90 1x31 s ILE 265 Cb 0.00 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1x31 s ILE 265 CO 0.00 0.07 0.13 -0.04 0.00 0.00 0.00 174.94 175.11 1x31 s MET 266 N 2.06 0.74 0.19 2.79 -1.94 -0.24 -4.69 119.30 118.21 1x31 s MET 266 Ca 0.31 -0.93 -0.31 0.00 -1.71 0.00 0.00 55.69 53.05 1x31 s MET 266 Cb -0.16 0.29 -0.10 0.00 2.01 0.00 0.00 34.83 36.87 1x31 s MET 266 CO 0.11 -0.21 1.55 -0.51 -0.01 0.00 0.00 175.02 175.95 1x31 s LEU 267 N -2.65 4.37 0.28 -0.03 1.43 -0.56 -0.15 118.68 121.37 1x31 s LEU 267 Ca 0.02 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1x31 s LEU 267 Cb 0.04 -3.60 0.51 0.00 0.03 0.00 0.00 46.19 43.16 1x31 s LEU 267 CO -0.09 -0.81 1.87 0.00 0.23 0.00 0.00 176.35 177.54 1x31 h ALA 268 N 6.32 1.49 0.00 4.21 0.00 -0.72 -0.34 119.26 130.22 1x31 h ALA 268 Ca -0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1x31 h ALA 268 Cb 1.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1x31 h ALA 268 CO 0.88 0.32 -0.20 0.78 0.00 0.00 0.00 179.25 181.03 1x31 h GLY 269 N 1.06 0.00 1.63 0.00 0.00 -1.90 -1.95 103.07 101.91 1x31 h GLY 269 Ca 0.46 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.58 1x31 h GLY 269 CO -0.21 0.00 -0.88 1.76 0.00 0.00 0.00 176.54 177.21 1x31 h SER 270 N 0.00 0.43 -0.58 0.19 0.02 -1.44 -0.72 113.55 111.45 1x31 h SER 270 Ca -0.00 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 1x31 h SER 270 Cb 0.41 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1x31 h SER 270 CO 0.03 1.12 0.07 0.58 -1.14 0.00 0.00 176.83 177.49 1x31 h VAL 271 N 0.19 1.26 -0.49 2.27 2.07 -0.83 -1.09 116.25 119.63 1x31 h VAL 271 Ca -0.06 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 1x31 h VAL 271 Cb 1.50 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1x31 h VAL 271 CO 0.15 0.38 -0.17 -0.09 0.02 0.00 0.00 177.57 177.85 1x31 h ARG 272 N 0.95 0.97 -0.17 1.57 2.43 -1.24 -2.40 114.38 116.49 1x31 h ARG 272 Ca 0.19 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1x31 h ARG 272 Cb 0.45 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1x31 h ARG 272 CO 0.02 1.05 0.10 1.03 -1.51 0.00 0.00 179.97 180.65 1x31 h SER 273 N 0.85 0.20 -0.74 -3.80 0.87 -0.66 0.15 113.55 110.42 1x31 h SER 273 Ca 0.12 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1x31 h SER 273 Cb 0.73 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 1x31 h SER 273 CO 0.06 0.20 0.49 1.88 -0.53 0.00 0.00 176.83 178.93 1x31 h TYR 274 N 0.18 0.90 0.33 2.24 0.05 -1.14 0.73 116.97 120.26 1x31 h TYR 274 Ca 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1x31 h TYR 274 Cb 0.04 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1x31 h TYR 274 CO -0.05 0.54 -0.16 1.25 -1.05 0.00 0.00 178.16 178.70 1x31 h LEU 275 N 0.95 -0.37 0.11 3.88 5.85 -0.90 0.35 115.31 125.18 1x31 h LEU 275 Ca 0.28 -0.17 -0.30 0.00 0.84 0.00 0.00 57.88 58.54 1x31 h LEU 275 Cb -0.03 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1x31 h LEU 275 CO -0.07 0.02 -1.47 0.78 -0.34 0.00 0.00 178.44 177.36 1x31 h ASN 276 N -0.82 0.37 0.49 1.25 2.35 -0.84 -2.38 115.58 116.00 1x31 h ASN 276 Ca -0.04 -0.49 -0.30 0.00 -0.55 0.00 0.00 56.30 54.92 1x31 h ASN 276 Cb 0.52 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1x31 h ASN 276 CO 0.07 1.40 -1.60 -0.09 -1.65 0.00 0.00 177.43 175.57 1x31 h ARG 277 N 0.06 0.12 -0.00 0.81 2.43 0.42 -3.33 114.38 114.89 1x31 h ARG 277 Ca -0.22 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1x31 h ARG 277 Cb 2.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1x31 h ARG 277 CO 0.17 0.86 -0.05 1.19 -1.51 0.00 0.00 179.97 180.63 1x31 n PHE 278 N -3.28 0.00 -2.09 2.20 3.72 -0.97 0.30 117.46 117.35 1x31 n PHE 278 Ca -0.17 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.09 1x31 n PHE 278 Cb 1.03 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.56 1x31 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x31 n GLY 279 N 0.46 0.14 3.40 1.37 0.00 -0.24 -4.94 105.19 105.38 1x31 n GLY 279 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1x31 n GLY 279 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x31 s VAL 280 N -2.66 2.86 -0.29 1.61 1.01 0.11 -0.65 120.40 122.39 1x31 s VAL 280 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1x31 s VAL 280 Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1x31 s VAL 280 CO 0.00 0.56 0.19 -0.60 0.00 0.00 0.00 175.10 175.26 1x31 s ARG 281 N -0.24 3.81 0.64 2.72 3.52 0.76 -2.15 118.95 128.02 1x31 s ARG 281 Ca 0.01 -0.41 0.37 0.00 -0.13 0.00 0.00 55.73 55.56 1x31 s ARG 281 Cb -0.13 -3.67 2.05 0.00 -1.56 0.00 0.00 34.95 31.63 1x31 s ARG 281 CO 0.03 -0.25 2.22 0.00 -0.81 0.00 0.00 175.30 176.49 1x31 h ALA 282 N 8.39 1.29 -1.99 6.12 0.00 -1.87 -1.46 119.26 129.74 1x31 h ALA 282 Ca -0.34 -0.00 0.33 0.00 0.00 0.00 0.00 54.91 54.90 1x31 h ALA 282 Cb 1.18 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1x31 h ALA 282 CO 0.57 -0.13 0.88 0.20 0.00 0.00 0.00 179.25 180.77 1x31 s GLY 283 N -4.04 -0.18 -0.01 0.00 0.00 -1.26 -4.00 107.32 97.83 1x31 s GLY 283 Ca -0.05 0.17 0.21 0.00 0.00 0.00 0.00 44.72 45.05 1x31 s GLY 283 CO 0.43 4.26 0.67 1.44 0.00 0.00 0.00 173.10 179.90 1x31 n SER 284 N -0.95 0.61 -3.55 1.64 7.64 -1.26 -4.65 113.62 113.10 1x31 n SER 284 Ca 0.01 -0.52 -0.27 0.00 1.01 0.00 0.00 58.87 59.10 1x31 n SER 284 Cb 0.60 1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 65.14 1x31 n SER 284 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x31 n LYS 285 N -1.83 0.85 -3.21 1.43 5.02 -1.26 -4.99 118.16 114.17 1x31 n LYS 285 Ca 0.00 -3.67 -0.40 0.00 -2.02 0.00 0.00 58.31 52.23 1x31 n LYS 285 Cb 0.42 -1.87 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 1x31 n LYS 285 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1x31 s ILE 286 N -0.62 5.06 0.09 -0.18 1.01 -1.26 -1.06 121.20 124.24 1x31 s ILE 286 Ca 0.31 0.98 0.02 0.00 0.00 0.00 0.00 60.65 61.95 1x31 s ILE 286 Cb 0.02 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1x31 s ILE 286 CO -0.18 0.11 0.14 0.00 0.00 0.00 0.00 174.94 175.00 1x31 s ALA 287 N 2.10 3.73 -0.10 9.38 0.00 0.01 -0.55 121.76 136.32 1x31 s ALA 287 Ca 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1x31 s ALA 287 Cb -0.16 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.40 1x31 s ALA 287 CO 0.09 0.74 -0.19 0.08 0.00 0.00 0.00 175.76 176.48 1x31 s VAL 288 N -1.48 1.72 -0.15 0.00 1.01 -0.43 -0.54 120.40 120.53 1x31 s VAL 288 Ca 0.31 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1x31 s VAL 288 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1x31 s VAL 288 CO 0.24 0.48 -0.18 0.00 0.00 0.00 0.00 175.10 175.65 1x31 s ALA 289 N 0.65 2.39 0.08 5.51 0.00 -0.04 0.98 121.76 131.33 1x31 s ALA 289 Ca -0.13 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 1x31 s ALA 289 Cb -0.16 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1x31 s ALA 289 CO 0.04 -0.03 0.09 -0.08 0.00 0.00 0.00 175.76 175.77 1x31 s THR 290 N 0.82 0.17 0.00 0.00 -1.32 0.02 -0.91 115.64 114.42 1x31 s THR 290 Ca -0.06 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1x31 s THR 290 Cb -0.15 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1x31 s THR 290 CO -0.01 -0.76 0.47 0.35 -2.21 0.00 0.00 174.62 172.46 1x31 n THR 291 N -0.00 0.00 -3.89 5.08 -2.24 -0.71 -1.13 114.28 111.39 1x31 n THR 291 Ca -0.13 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 1x31 n THR 291 Cb 0.62 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1x31 n THR 291 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1x31 n ASN 292 N -0.06 -1.40 0.05 3.42 6.94 -1.26 -1.34 115.26 121.62 1x31 n ASN 292 Ca 0.00 -2.54 0.12 0.00 -0.02 0.00 0.00 54.58 52.14 1x31 n ASN 292 Cb 0.00 2.50 0.48 0.00 -2.36 0.00 0.00 39.78 40.40 1x31 n ASN 292 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1x31 n ASP 293 N -1.62 0.37 -0.00 0.53 8.00 -1.26 -4.23 116.55 118.34 1x31 n ASP 293 Ca -0.02 0.55 0.21 0.00 0.71 0.00 0.00 54.79 56.24 1x31 n ASP 293 Cb 0.50 -0.64 0.71 0.00 -0.02 0.00 0.00 41.12 41.66 1x31 n ASP 293 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1x31 h SER 294 N 0.00 0.00 1.35 -2.24 4.64 -1.97 -2.65 113.55 112.68 1x31 h SER 294 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x31 h SER 294 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1x31 h SER 294 CO 0.00 0.00 -0.06 1.33 -0.87 0.00 0.00 176.83 177.23 1x31 n VAL 295 N -4.27 0.50 0.19 0.95 0.24 -1.26 -4.12 118.33 110.56 1x31 n VAL 295 Ca 0.10 -0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.19 1x31 n VAL 295 Cb 0.64 -0.52 0.42 0.00 -1.47 0.00 0.00 33.84 32.91 1x31 n VAL 295 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1x31 h TYR 296 N 0.00 0.05 -0.36 6.34 0.05 -1.78 -1.75 116.97 119.51 1x31 h TYR 296 Ca 0.00 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 1x31 h TYR 296 Cb 0.71 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1x31 h TYR 296 CO 0.00 0.29 -0.23 -1.35 -1.05 0.00 0.00 178.16 175.83 1x31 h PRO 297 N 0.04 0.72 -0.25 4.88 0.11 -1.80 -2.12 132.00 133.58 1x31 h PRO 297 Ca 0.01 -0.28 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1x31 h PRO 297 Cb 0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1x31 h PRO 297 CO 0.03 0.88 0.14 1.25 -0.21 0.00 0.00 178.00 180.09 1x31 h LEU 298 N 0.63 0.32 -0.37 2.35 5.85 -1.67 -0.45 115.31 121.96 1x31 h LEU 298 Ca 0.09 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1x31 h LEU 298 Cb 0.72 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1x31 h LEU 298 CO 0.06 0.31 -0.03 0.58 -0.34 0.00 0.00 178.44 179.02 1x31 h VAL 299 N 0.30 0.69 -0.50 1.05 2.07 -1.14 -0.18 116.25 118.54 1x31 h VAL 299 Ca 0.09 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1x31 h VAL 299 Cb 0.06 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1x31 h VAL 299 CO -0.01 0.01 0.31 -1.28 0.02 0.00 0.00 177.57 176.62 1x31 h SER 300 N 0.07 0.52 0.43 0.57 0.87 -1.10 -2.51 113.55 112.39 1x31 h SER 300 Ca 0.18 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1x31 h SER 300 Cb 0.26 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1x31 h SER 300 CO -0.33 0.37 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.83 1x31 h GLU 301 N 0.63 0.00 0.00 2.24 5.08 -0.30 -2.73 114.58 119.50 1x31 h GLU 301 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1x31 h GLU 301 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1x31 h GLU 301 CO -0.07 0.19 -0.09 1.28 -1.00 0.00 0.00 179.01 179.31 1x31 n LEU 302 N -3.75 0.74 -0.12 1.33 4.77 -0.15 -4.19 117.00 115.63 1x31 n LEU 302 Ca -0.02 0.52 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1x31 n LEU 302 Cb 0.30 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1x31 n LEU 302 CO 0.33 -0.15 0.85 0.00 -1.33 0.00 0.00 177.39 177.09 1x31 h ALA 303 N 2.56 0.35 -0.68 -1.18 0.00 -1.34 0.81 119.26 119.77 1x31 h ALA 303 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1x31 h ALA 303 Cb 0.72 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1x31 h ALA 303 CO 0.00 -0.40 0.45 0.00 0.00 0.00 0.00 179.25 179.31 1x31 h ALA 304 N 1.34 1.93 -0.64 0.00 0.00 -1.79 -2.13 119.26 117.97 1x31 h ALA 304 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1x31 h ALA 304 Cb 0.27 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1x31 h ALA 304 CO -0.32 -0.08 0.11 -1.13 0.00 0.00 0.00 179.25 177.83 1x31 n SER 305 N -4.48 5.41 0.00 0.00 3.41 -0.94 -4.87 113.62 112.15 1x31 n SER 305 Ca 0.11 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1x31 n SER 305 Cb 0.37 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1x31 n SER 305 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x31 n GLY 306 N 0.33 1.04 7.00 5.00 0.00 -0.82 -5.06 105.19 112.68 1x31 n GLY 306 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1x31 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 307 N 0.00 -0.31 3.24 -0.02 0.00 0.23 -4.92 105.19 103.42 1x31 n GLY 307 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 1x31 n GLY 307 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x31 s VAL 308 N 0.00 1.21 0.08 1.61 -7.23 -1.26 -4.70 120.40 110.11 1x31 s VAL 308 Ca 0.00 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 1x31 s VAL 308 Cb 0.00 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.12 1x31 s VAL 308 CO 0.00 -0.64 1.60 0.58 -0.31 0.00 0.00 175.10 176.33 1x31 h VAL 309 N 3.04 1.18 0.00 1.32 2.07 -1.16 -3.46 116.25 119.23 1x31 h VAL 309 Ca -0.37 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1x31 h VAL 309 Cb 1.19 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1x31 h VAL 309 CO 0.59 0.17 0.00 0.00 0.02 0.00 0.00 177.57 178.35 1x31 n ALA 310 N -2.25 0.00 -3.62 1.67 0.00 -1.26 -4.72 120.51 110.33 1x31 n ALA 310 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1x31 n ALA 310 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 1x31 n ALA 310 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x31 s VAL 311 N -2.00 3.11 -0.55 0.00 1.01 0.52 -1.31 120.40 121.17 1x31 s VAL 311 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1x31 s VAL 311 Cb 0.00 -2.42 0.10 0.00 0.00 0.00 0.00 36.38 34.07 1x31 s VAL 311 CO 0.00 0.42 0.60 -0.63 0.00 0.00 0.00 175.10 175.49 1x31 s ILE 312 N 1.43 4.99 -0.27 2.22 -1.09 0.28 -0.21 121.20 128.55 1x31 s ILE 312 Ca 0.05 -1.10 -0.10 0.00 -2.23 0.00 0.00 60.65 57.28 1x31 s ILE 312 Cb -0.14 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 1x31 s ILE 312 CO -0.05 -0.95 0.16 -0.62 -1.23 0.00 0.00 174.94 172.25 1x31 s ASP 313 N 3.40 5.85 0.55 3.58 -1.08 0.57 -0.80 116.67 128.74 1x31 s ASP 313 Ca 0.09 -0.03 0.33 0.00 -0.52 0.00 0.00 52.55 52.42 1x31 s ASP 313 Cb -0.25 -2.08 1.44 0.00 -1.46 0.00 0.00 42.92 40.57 1x31 s ASP 313 CO 0.06 -0.03 2.02 0.00 0.52 0.00 0.00 175.17 177.74 1x31 h ALA 314 N 8.19 1.02 -2.79 3.66 0.00 -0.81 -0.43 119.26 128.10 1x31 h ALA 314 Ca -0.36 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.00 1x31 h ALA 314 Cb 1.18 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.01 1x31 h ALA 314 CO 0.57 0.05 0.60 1.03 0.00 0.00 0.00 179.25 181.50 1x31 s ARG 315 N -3.76 4.44 0.25 0.00 0.52 -1.26 -3.84 118.95 115.30 1x31 s ARG 315 Ca 0.00 2.06 -0.05 0.00 -0.52 0.00 0.00 55.73 57.22 1x31 s ARG 315 Cb 0.10 -3.14 0.29 0.00 0.52 0.00 0.00 34.95 32.71 1x31 s ARG 315 CO 0.54 -0.11 1.88 1.96 0.02 0.00 0.00 175.30 179.60 1x31 h GLN 316 N 4.15 1.17 -6.28 3.54 1.08 -1.92 0.35 115.11 117.20 1x31 h GLN 316 Ca -0.47 -0.13 -0.59 0.00 -1.45 0.00 0.00 58.65 56.01 1x31 h GLN 316 Cb 1.22 -0.23 -0.12 0.00 -0.05 0.00 0.00 27.48 28.30 1x31 h GLN 316 CO 0.70 0.86 -0.70 -0.80 -0.95 0.00 0.00 178.83 177.94 1x31 s ASN 317 N -6.29 4.23 -0.11 1.46 0.02 -1.26 -4.21 114.94 108.78 1x31 s ASN 317 Ca -0.12 -0.71 -0.30 0.00 -1.02 0.00 0.00 52.86 50.71 1x31 s ASN 317 Cb 0.17 -0.68 -0.03 0.00 0.02 0.00 0.00 41.25 40.74 1x31 s ASN 317 CO 0.82 0.04 1.26 -0.63 0.02 0.00 0.00 177.10 178.61 1x31 s ILE 318 N -2.17 4.21 0.78 0.60 1.01 -1.26 -4.96 121.20 119.41 1x31 s ILE 318 Ca 0.29 1.51 -0.11 0.00 0.00 0.00 0.00 60.65 62.34 1x31 s ILE 318 Cb -0.07 -3.97 0.07 0.00 0.01 0.00 0.00 42.46 38.51 1x31 s ILE 318 CO 0.17 -0.07 1.14 -0.94 0.00 0.00 0.00 174.94 175.24 1x31 s SER 319 N 1.81 4.58 0.20 3.58 1.04 -1.26 -4.86 113.70 118.79 1x31 s SER 319 Ca 0.56 0.70 -0.10 0.00 0.48 0.00 0.00 55.95 57.60 1x31 s SER 319 Cb -0.24 -1.24 0.20 0.00 0.10 0.00 0.00 66.02 64.84 1x31 s SER 319 CO 0.19 -1.83 1.83 0.00 0.98 0.00 0.00 173.24 174.40 1x31 h ALA 320 N -0.95 0.87 -0.42 5.32 0.00 -1.97 -1.42 119.26 120.69 1x31 h ALA 320 Ca -0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1x31 h ALA 320 Cb 1.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x31 h ALA 320 CO 0.65 0.11 0.08 0.00 0.00 0.00 0.00 179.25 180.09 1x31 h ALA 321 N 1.31 0.56 0.00 0.00 0.00 -1.94 -2.79 119.26 116.40 1x31 h ALA 321 Ca 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x31 h ALA 321 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1x31 h ALA 321 CO -0.14 0.27 -0.15 0.00 0.00 0.00 0.00 179.25 179.23 1x31 h ALA 322 N 0.94 1.73 -0.25 0.00 0.00 -1.83 -2.49 119.26 117.36 1x31 h ALA 322 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x31 h ALA 322 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x31 h ALA 322 CO 0.01 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.58 1x31 h ALA 323 N 1.85 1.78 0.00 0.00 0.00 -0.98 -0.76 119.26 121.15 1x31 h ALA 323 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1x31 h ALA 323 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1x31 h ALA 323 CO 0.02 0.19 -0.46 1.96 0.00 0.00 0.00 179.25 180.96 1x31 h GLN 324 N 0.34 0.00 -0.16 0.00 1.08 -1.47 -1.73 115.11 113.16 1x31 h GLN 324 Ca 0.09 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.08 1x31 h GLN 324 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1x31 h GLN 324 CO -0.02 0.46 -0.72 0.00 -0.95 0.00 0.00 178.83 177.61 1x31 h ALA 325 N 1.54 0.42 -0.61 3.87 0.00 -1.24 -2.40 119.26 120.83 1x31 h ALA 325 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1x31 h ALA 325 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1x31 h ALA 325 CO 0.06 0.70 0.30 0.28 0.00 0.00 0.00 179.25 180.59 1x31 h VAL 326 N 0.51 1.21 0.00 0.00 2.07 -1.02 -0.59 116.25 118.43 1x31 h VAL 326 Ca -0.03 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1x31 h VAL 326 Cb 1.33 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1x31 h VAL 326 CO 0.14 0.24 -0.26 0.71 0.02 0.00 0.00 177.57 178.42 1x31 h THR 327 N 0.84 0.86 -0.01 2.57 1.35 -1.27 -1.91 112.91 115.33 1x31 h THR 327 Ca 0.21 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1x31 h THR 327 Cb 0.11 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1x31 h THR 327 CO -0.03 0.26 0.00 0.47 -0.25 0.00 0.00 175.52 175.97 1x31 n ASP 328 N -3.75 0.19 0.00 5.36 8.00 -0.88 -4.87 116.55 120.60 1x31 n ASP 328 Ca -0.01 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1x31 n ASP 328 Cb 0.37 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1x31 n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x31 n GLY 329 N 0.97 0.67 3.78 0.44 0.00 -0.72 -5.05 105.19 105.27 1x31 n GLY 329 Ca 0.21 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1x31 n GLY 329 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x31 s VAL 330 N -2.00 3.98 -0.46 1.61 1.01 -0.28 -4.99 120.40 119.27 1x31 s VAL 330 Ca 0.00 1.64 -0.27 0.00 0.00 0.00 0.00 61.98 63.35 1x31 s VAL 330 Cb 0.00 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1x31 s VAL 330 CO 0.00 0.13 1.02 -0.89 0.00 0.00 0.00 175.10 175.36 1x31 s THR 331 N -1.57 4.37 -0.15 3.92 2.01 -1.26 -4.49 115.64 118.46 1x31 s THR 331 Ca 0.52 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.54 1x31 s THR 331 Cb -0.21 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 67.80 1x31 s THR 331 CO 0.27 -0.88 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.45 1x31 s VAL 332 N 4.03 2.43 -0.28 3.82 1.01 -1.26 -0.36 120.40 129.79 1x31 s VAL 332 Ca 0.42 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1x31 s VAL 332 Cb -0.09 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1x31 s VAL 332 CO 0.28 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 175.23 1x31 s LEU 333 N 0.86 3.75 0.53 3.92 1.02 0.70 -4.95 118.68 124.50 1x31 s LEU 333 Ca -0.05 -0.53 -0.03 0.00 0.02 0.00 0.00 54.13 53.53 1x31 s LEU 333 Cb -0.15 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1x31 s LEU 333 CO -0.02 -0.14 0.80 0.42 0.02 0.00 0.00 176.35 177.43 1x31 s THR 334 N 1.55 3.89 -1.21 5.49 -4.23 -1.26 -0.31 115.64 119.56 1x31 s THR 334 Ca 0.04 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1x31 s THR 334 Cb -0.16 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1x31 s THR 334 CO 0.03 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1x31 n GLY 335 N -2.36 0.32 3.37 3.99 0.00 0.12 -4.88 105.19 105.75 1x31 n GLY 335 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1x31 n GLY 335 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x31 s SER 336 N -2.05 2.78 0.09 1.61 0.01 -0.74 -0.73 113.70 114.67 1x31 s SER 336 Ca 0.00 -1.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.22 1x31 s SER 336 Cb 0.00 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1x31 s SER 336 CO 0.00 -0.12 0.03 0.68 0.41 0.00 0.00 173.24 174.24 1x31 s VAL 337 N -2.84 0.17 -0.11 3.43 -7.23 0.34 -2.49 120.40 111.66 1x31 s VAL 337 Ca 0.24 -1.77 -0.25 0.00 -1.81 0.00 0.00 61.98 58.39 1x31 s VAL 337 Cb -0.02 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1x31 s VAL 337 CO 0.08 -0.76 0.80 -0.69 -0.31 0.00 0.00 175.10 174.22 1x31 s VAL 338 N -3.96 4.94 -0.69 1.32 1.01 -1.26 -1.32 120.40 120.44 1x31 s VAL 338 Ca 0.13 1.60 0.11 0.00 0.00 0.00 0.00 61.98 63.82 1x31 s VAL 338 Cb 0.07 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1x31 s VAL 338 CO -0.06 0.13 0.54 0.00 0.00 0.00 0.00 175.10 175.70 1x31 n ALA 339 N 4.55 3.23 -3.63 5.51 0.00 0.14 -4.85 120.51 125.46 1x31 n ALA 339 Ca 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 1x31 n ALA 339 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1x31 n ALA 339 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x31 s ASN 340 N -1.83 -0.16 0.10 0.00 3.84 -1.19 -3.86 114.94 111.84 1x31 s ASN 340 Ca 0.06 -0.15 -0.06 0.00 0.21 0.00 0.00 52.86 52.92 1x31 s ASN 340 Cb 0.08 0.28 -0.02 0.00 -0.55 0.00 0.00 41.25 41.05 1x31 s ASN 340 CO 0.39 -0.50 0.14 0.42 -2.79 0.00 0.00 177.10 174.76 1x31 s THR 341 N -2.77 0.14 0.24 -5.21 -4.23 -1.25 -0.00 115.64 102.56 1x31 s THR 341 Ca 0.11 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 59.27 1x31 s THR 341 Cb 0.01 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.26 1x31 s THR 341 CO -0.03 -0.65 -0.16 -1.61 -0.54 0.00 0.00 174.62 171.62 1x31 s GLU 342 N -3.91 1.50 0.21 3.99 2.02 0.70 -4.92 118.70 118.29 1x31 s GLU 342 Ca 0.09 -1.68 0.10 0.00 0.02 0.00 0.00 54.97 53.50 1x31 s GLU 342 Cb 0.06 -1.42 -0.05 0.00 0.10 0.00 0.00 34.13 32.82 1x31 s GLU 342 CO -0.08 0.24 -0.20 0.00 0.02 0.00 0.00 175.26 175.25 1x31 s ALA 343 N -2.76 2.37 0.76 5.21 0.00 -1.26 -0.48 121.76 125.59 1x31 s ALA 343 Ca 0.26 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 1x31 s ALA 343 Cb -0.02 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1x31 s ALA 343 CO 0.11 0.27 0.36 -0.40 0.00 0.00 0.00 175.76 176.09 1x31 n ASP 344 N -0.11 0.21 0.14 0.00 5.68 0.11 -4.74 116.55 117.84 1x31 n ASP 344 Ca -0.10 -1.24 0.08 0.00 -0.50 0.00 0.00 54.79 53.03 1x31 n ASP 344 Cb 0.58 -0.26 0.57 0.00 -1.14 0.00 0.00 41.12 40.88 1x31 n ASP 344 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x31 h ALA 345 N -1.26 1.96 -0.02 2.12 0.00 -2.01 -1.42 119.26 118.62 1x31 h ALA 345 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x31 h ALA 345 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x31 h ALA 345 CO 0.10 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 1x31 n SER 346 N -4.50 0.41 0.00 0.00 3.41 -1.26 -4.90 113.62 106.77 1x31 n SER 346 Ca 0.01 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1x31 n SER 346 Cb 0.14 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1x31 n SER 346 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x31 n GLY 347 N 0.95 1.00 3.89 5.00 0.00 -0.54 -5.03 105.19 110.47 1x31 n GLY 347 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1x31 n GLY 347 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x31 s GLU 348 N -0.40 3.66 0.14 1.61 2.02 -1.26 -4.38 118.70 120.09 1x31 s GLU 348 Ca 0.00 0.23 -0.35 0.00 0.02 0.00 0.00 54.97 54.87 1x31 s GLU 348 Cb 0.00 -2.48 -0.15 0.00 0.10 0.00 0.00 34.13 31.60 1x31 s GLU 348 CO 0.00 0.00 1.40 -0.11 0.02 0.00 0.00 175.26 176.58 1x31 n LEU 349 N -1.46 2.29 0.00 1.80 7.94 -0.20 -0.71 117.00 126.66 1x31 n LEU 349 Ca 0.00 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1x31 n LEU 349 Cb 0.54 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1x31 n LEU 349 CO 0.49 -0.76 -0.38 -1.54 -1.11 0.00 0.00 177.39 174.09 1x31 n SER 350 N 2.71 3.81 -3.50 1.96 3.41 0.37 -4.37 113.62 118.00 1x31 n SER 350 Ca 0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1x31 n SER 350 Cb 0.25 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 1x31 n SER 350 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x31 s ALA 351 N -1.62 -1.81 0.01 7.33 0.00 -1.14 -1.69 121.76 122.85 1x31 s ALA 351 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.09 1x31 s ALA 351 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1x31 s ALA 351 CO 0.00 -0.62 -0.21 0.14 0.00 0.00 0.00 175.76 175.07 1x31 s VAL 352 N -2.77 1.66 -0.33 0.00 -7.23 0.06 -0.22 120.40 111.58 1x31 s VAL 352 Ca 0.02 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 1x31 s VAL 352 Cb -0.01 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1x31 s VAL 352 CO -0.07 0.34 0.20 -0.76 -0.31 0.00 0.00 175.10 174.50 1x31 s LEU 353 N -0.84 4.34 -0.11 1.32 1.02 1.00 -1.11 118.68 124.31 1x31 s LEU 353 Ca 0.08 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.71 1x31 s LEU 353 Cb -0.08 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 1x31 s LEU 353 CO 0.01 -0.22 0.05 -0.69 0.02 0.00 0.00 176.35 175.51 1x31 s VAL 354 N 1.67 4.71 0.04 -1.59 1.01 0.49 0.24 120.40 126.97 1x31 s VAL 354 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1x31 s VAL 354 Cb -0.17 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1x31 s VAL 354 CO 0.09 0.59 0.23 0.00 0.00 0.00 0.00 175.10 176.01 1x31 s ALA 355 N -0.77 -0.47 0.53 5.51 0.00 -0.44 0.20 121.76 126.32 1x31 s ALA 355 Ca 0.12 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1x31 s ALA 355 Cb -0.12 0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 1x31 s ALA 355 CO 0.03 -0.37 1.06 0.95 0.00 0.00 0.00 175.76 177.43 1x31 s THR 356 N -2.50 3.65 -0.21 0.00 -4.23 -1.26 -0.51 115.64 110.58 1x31 s THR 356 Ca -0.06 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1x31 s THR 356 Cb -0.01 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.51 1x31 s THR 356 CO -0.03 -0.29 0.07 -0.22 -0.54 0.00 0.00 174.62 173.60 1x31 s LEU 357 N -3.85 1.04 0.90 4.79 2.96 0.09 -1.20 118.68 123.42 1x31 s LEU 357 Ca 0.67 -0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 53.52 1x31 s LEU 357 Cb -0.18 -0.52 0.15 0.00 0.50 0.00 0.00 46.19 46.14 1x31 s LEU 357 CO 0.26 -0.34 1.26 1.51 -1.32 0.00 0.00 176.35 177.72 1x31 s ASP 358 N 1.92 3.65 0.32 3.68 1.47 -0.97 -4.75 116.67 121.99 1x31 s ASP 358 Ca 0.02 0.49 0.23 0.00 1.18 0.00 0.00 52.55 54.47 1x31 s ASP 358 Cb -0.17 -0.71 1.16 0.00 -0.34 0.00 0.00 42.92 42.86 1x31 s ASP 358 CO -0.13 -2.42 1.70 -0.33 0.68 0.00 0.00 175.17 174.67 1x31 h GLU 359 N -1.42 0.00 -0.44 2.11 5.08 -1.98 0.30 114.58 118.24 1x31 h GLU 359 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1x31 h GLU 359 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1x31 h GLU 359 CO 0.49 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.54 1x31 n GLN 360 N -2.29 2.21 -2.96 2.33 1.13 -1.26 -4.93 117.38 111.60 1x31 n GLN 360 Ca -0.00 -1.85 -0.21 0.00 -1.94 0.00 0.00 57.00 52.99 1x31 n GLN 360 Cb 0.10 -1.44 0.03 0.00 0.11 0.00 0.00 30.24 29.05 1x31 n GLN 360 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x31 n ARG 361 N 1.03 -4.58 -3.51 -1.09 1.74 0.11 -4.99 116.66 105.36 1x31 n ARG 361 Ca 0.18 0.86 -0.37 0.00 -0.77 0.00 0.00 57.85 57.75 1x31 n ARG 361 Cb 0.46 -5.61 -0.06 0.00 -1.02 0.00 0.00 32.46 26.23 1x31 n ARG 361 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1x31 s ASN 362 N -2.71 6.61 0.06 0.55 0.02 -1.26 -4.84 114.94 113.37 1x31 s ASN 362 Ca 0.28 0.72 -0.13 0.00 -1.02 0.00 0.00 52.86 52.71 1x31 s ASN 362 Cb -0.12 -2.22 -0.06 0.00 0.02 0.00 0.00 41.25 38.87 1x31 s ASN 362 CO 0.35 0.18 0.43 -0.76 0.02 0.00 0.00 177.10 177.32 1x31 s LEU 363 N -0.16 4.40 0.00 0.60 1.43 -1.26 -2.30 118.68 121.39 1x31 s LEU 363 Ca 0.21 0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1x31 s LEU 363 Cb -0.15 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.21 1x31 s LEU 363 CO 0.08 0.22 0.10 0.61 0.23 0.00 0.00 176.35 177.59 1x31 n GLY 364 N 1.24 0.48 3.78 -3.19 0.00 -0.34 -4.95 105.19 102.21 1x31 n GLY 364 Ca -0.10 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1x31 n GLY 364 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x31 s GLU 365 N -2.72 3.90 0.24 1.61 0.41 -1.26 -4.65 118.70 116.23 1x31 s GLU 365 Ca 0.06 1.57 -0.18 0.00 -0.41 0.00 0.00 54.97 56.01 1x31 s GLU 365 Cb -0.00 -2.36 -0.08 0.00 -1.78 0.00 0.00 34.13 29.90 1x31 s GLU 365 CO 0.04 -0.39 0.72 0.00 -0.49 0.00 0.00 175.26 175.14 1x31 s ALA 366 N -1.70 3.40 -0.04 5.21 0.00 -1.26 -4.48 121.76 122.89 1x31 s ALA 366 Ca 0.63 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1x31 s ALA 366 Cb -0.23 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1x31 s ALA 366 CO 0.28 0.33 -0.24 -1.14 0.00 0.00 0.00 175.76 174.99 1x31 s GLN 367 N -2.22 2.31 -0.11 0.00 0.74 0.13 -4.87 119.66 115.63 1x31 s GLN 367 Ca 0.46 -0.89 -0.16 0.00 0.05 0.00 0.00 55.36 54.81 1x31 s GLN 367 Cb -0.15 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.79 1x31 s GLN 367 CO 0.20 0.51 0.39 0.50 -0.55 0.00 0.00 175.29 176.34 1x31 s ARG 368 N -0.47 4.23 -0.08 1.67 3.52 -1.26 -0.38 118.95 126.18 1x31 s ARG 368 Ca 0.06 0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 1x31 s ARG 368 Cb -0.11 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1x31 s ARG 368 CO 0.01 0.29 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.58 1x31 s PHE 369 N 0.25 1.77 0.13 5.12 0.08 -0.26 -4.99 117.98 120.08 1x31 s PHE 369 Ca 0.22 -0.73 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 1x31 s PHE 369 Cb -0.15 -1.27 -0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1x31 s PHE 369 CO 0.08 -0.36 1.07 -1.21 -0.10 0.00 0.00 175.22 174.70 1x31 s GLU 370 N 0.74 4.59 -0.16 0.44 2.02 -1.26 -0.76 118.70 124.30 1x31 s GLU 370 Ca -0.12 1.63 -0.26 0.00 0.02 0.00 0.00 54.97 56.23 1x31 s GLU 370 Cb -0.16 -3.33 0.07 0.00 0.10 0.00 0.00 34.13 30.81 1x31 s GLU 370 CO 0.03 0.05 0.67 0.00 0.02 0.00 0.00 175.26 176.02 1x31 s ALA 371 N 0.14 -1.68 -0.72 5.21 0.00 -0.68 -4.91 121.76 119.11 1x31 s ALA 371 Ca 0.50 1.61 0.19 0.00 0.00 0.00 0.00 51.96 54.27 1x31 s ALA 371 Cb -0.27 -0.62 -0.22 0.00 0.00 0.00 0.00 23.12 22.01 1x31 s ALA 371 CO 0.32 -0.34 0.73 -0.40 0.00 0.00 0.00 175.76 176.07 1x31 n ASP 372 N 1.93 0.82 -3.81 0.00 5.68 -0.23 -3.23 116.55 117.71 1x31 n ASP 372 Ca -0.16 -0.76 -0.13 0.00 -0.50 0.00 0.00 54.79 53.24 1x31 n ASP 372 Cb 0.56 1.17 -0.13 0.00 -1.14 0.00 0.00 41.12 41.58 1x31 n ASP 372 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x31 s VAL 373 N -2.89 -0.01 -0.26 2.12 1.01 -1.15 -4.55 120.40 114.67 1x31 s VAL 373 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1x31 s VAL 373 Cb 0.14 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.39 1x31 s VAL 373 CO 0.78 0.01 -0.07 -0.22 0.00 0.00 0.00 175.10 175.61 1x31 s LEU 374 N 0.27 3.20 -0.42 3.92 2.96 0.14 -0.81 118.68 127.93 1x31 s LEU 374 Ca -0.02 -1.39 -0.24 0.00 -0.22 0.00 0.00 54.13 52.26 1x31 s LEU 374 Cb -0.03 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.29 1x31 s LEU 374 CO -0.01 -0.23 0.85 0.00 -1.32 0.00 0.00 176.35 175.64 1x31 s ALA 375 N 1.21 3.33 -0.11 5.97 0.00 0.30 -1.08 121.76 131.38 1x31 s ALA 375 Ca -0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1x31 s ALA 375 Cb -0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1x31 s ALA 375 CO -0.06 -1.79 0.03 0.08 0.00 0.00 0.00 175.76 174.02 1x31 s VAL 376 N 3.41 4.56 -0.26 0.00 1.01 0.79 -0.86 120.40 129.04 1x31 s VAL 376 Ca 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1x31 s VAL 376 Cb -0.12 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.39 1x31 s VAL 376 CO 0.22 0.58 0.11 -0.55 0.00 0.00 0.00 175.10 175.45 1x31 s SER 377 N -0.62 3.33 -0.14 3.32 0.15 -0.08 -0.05 113.70 119.60 1x31 s SER 377 Ca 0.11 -1.17 0.16 0.00 0.70 0.00 0.00 55.95 55.75 1x31 s SER 377 Cb -0.12 -0.45 0.66 0.00 -1.71 0.00 0.00 66.02 64.40 1x31 s SER 377 CO 0.02 -0.40 1.58 0.61 1.20 0.00 0.00 173.24 176.25 1x31 n GLY 378 N 5.16 3.08 0.00 9.45 0.00 0.90 -1.74 105.19 122.05 1x31 n GLY 378 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1x31 n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 379 N 0.61 0.39 2.88 -0.02 0.00 -1.25 -4.82 105.19 102.98 1x31 n GLY 379 Ca 0.24 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 1x31 n GLY 379 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x31 s PHE 380 N -0.40 0.11 -0.33 1.61 0.08 -1.26 -1.20 117.98 116.59 1x31 s PHE 380 Ca 0.00 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.00 1x31 s PHE 380 Cb 0.00 -0.10 0.05 0.00 -0.57 0.00 0.00 43.02 42.40 1x31 s PHE 380 CO 0.00 -0.02 0.08 -0.80 -0.10 0.00 0.00 175.22 174.38 1x31 s ASN 381 N 0.11 5.17 0.33 1.36 0.01 0.95 -4.74 114.94 118.13 1x31 s ASN 381 Ca -0.01 -1.26 -0.27 0.00 -0.71 0.00 0.00 52.86 50.60 1x31 s ASN 381 Cb -0.02 -1.81 -0.13 0.00 0.41 0.00 0.00 41.25 39.70 1x31 s ASN 381 CO -0.00 -0.33 1.11 -2.65 -1.51 0.00 0.00 177.10 173.72 1x31 n PRO 382 N 4.73 1.62 -2.71 -0.60 -0.02 -1.26 -0.84 135.00 135.93 1x31 n PRO 382 Ca -0.12 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 1x31 n PRO 382 Cb 0.44 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1x31 n PRO 382 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x31 s VAL 383 N -1.11 4.44 -1.97 -1.45 1.01 0.48 -4.76 120.40 117.03 1x31 s VAL 383 Ca 0.58 -2.18 0.30 0.00 0.00 0.00 0.00 61.98 60.68 1x31 s VAL 383 Cb -0.63 -5.10 0.63 0.00 0.00 0.00 0.00 36.38 31.28 1x31 s VAL 383 CO 0.60 -1.89 1.96 1.33 0.00 0.00 0.00 175.10 177.10 1x31 n VAL 384 N 5.77 0.00 -0.38 2.92 0.24 -1.26 -4.60 118.33 121.01 1x31 n VAL 384 Ca 0.45 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.60 1x31 n VAL 384 Cb 0.45 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.70 1x31 n VAL 384 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1x31 h HIS 385 N 0.82 -1.47 -0.21 6.34 3.86 -1.99 0.23 115.15 122.73 1x31 h HIS 385 Ca 0.00 0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1x31 h HIS 385 Cb 0.27 0.78 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 1x31 h HIS 385 CO 0.00 -0.39 -0.17 -0.07 0.86 0.00 0.00 177.93 178.16 1x31 h LEU 386 N -0.02 0.34 -0.30 2.43 3.38 -1.96 0.58 115.31 119.75 1x31 h LEU 386 Ca 0.25 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1x31 h LEU 386 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1x31 h LEU 386 CO -0.94 0.53 0.01 -0.74 0.09 0.00 0.00 178.44 177.39 1x31 h HIS 387 N 0.33 0.57 0.00 1.13 2.76 -1.51 -3.06 115.15 115.38 1x31 h HIS 387 Ca 0.06 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1x31 h HIS 387 Cb 0.49 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1x31 h HIS 387 CO 0.01 0.66 -0.48 0.77 -1.30 0.00 0.00 177.93 177.59 1x31 h SER 388 N 0.33 0.00 -0.09 3.26 0.02 -0.61 -1.56 113.55 114.89 1x31 h SER 388 Ca 0.09 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1x31 h SER 388 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1x31 h SER 388 CO 0.01 0.48 0.07 1.56 -1.14 0.00 0.00 176.83 177.82 1x31 h GLN 389 N 0.00 0.00 -0.75 3.45 4.20 -0.79 0.20 115.11 121.42 1x31 h GLN 389 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1x31 h GLN 389 Cb 0.96 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1x31 h GLN 389 CO 0.06 0.00 0.07 0.54 -0.67 0.00 0.00 178.83 178.83 1x31 n ARG 390 N -4.41 3.44 -2.12 1.46 5.12 -1.03 -4.88 116.66 114.23 1x31 n ARG 390 Ca -0.01 -2.17 -0.17 0.00 -1.93 0.00 0.00 57.85 53.57 1x31 n ARG 390 Cb 0.18 -2.00 -0.02 0.00 -1.16 0.00 0.00 32.46 29.46 1x31 n ARG 390 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1x31 n GLN 391 N 0.27 -1.31 -2.29 5.56 3.00 0.70 -4.97 117.38 118.34 1x31 n GLN 391 Ca 0.23 0.89 -0.39 0.00 -0.01 0.00 0.00 57.00 57.71 1x31 n GLN 391 Cb 0.97 -5.28 -0.03 0.00 0.00 0.00 0.00 30.24 25.91 1x31 n GLN 391 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1x31 s GLY 392 N -2.38 2.95 0.52 1.08 0.00 -0.62 -4.98 107.32 103.90 1x31 s GLY 392 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 44.72 45.67 1x31 s GLY 392 CO 0.00 1.60 0.87 0.54 0.00 0.00 0.00 173.10 176.11 1x31 s LYS 393 N -1.96 3.58 0.12 2.90 1.02 -1.26 -4.41 119.74 119.72 1x31 s LYS 393 Ca 0.52 0.40 0.10 0.00 0.02 0.00 0.00 55.97 57.00 1x31 s LYS 393 Cb -0.33 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1x31 s LYS 393 CO 0.43 -0.32 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.79 1x31 s LEU 394 N -4.84 2.31 0.17 3.17 1.43 -1.26 -0.58 118.68 119.07 1x31 s LEU 394 Ca 0.50 -0.72 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1x31 s LEU 394 Cb -0.11 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1x31 s LEU 394 CO 0.47 0.13 -0.16 0.20 0.23 0.00 0.00 176.35 177.22 1x31 s ASN 395 N -1.97 3.90 -0.21 2.29 0.01 0.80 -4.75 114.94 115.01 1x31 s ASN 395 Ca 0.11 -0.67 -0.15 0.00 -0.71 0.00 0.00 52.86 51.43 1x31 s ASN 395 Cb -0.10 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.99 1x31 s ASN 395 CO 0.05 0.12 0.37 0.86 -1.51 0.00 0.00 177.10 177.00 1x31 s TRP 396 N -1.57 3.36 -0.39 2.20 -0.11 -1.26 -0.73 118.94 120.43 1x31 s TRP 396 Ca 0.22 0.56 -0.16 0.00 1.22 0.00 0.00 56.10 57.94 1x31 s TRP 396 Cb -0.09 -2.50 0.01 0.00 -1.50 0.00 0.00 33.47 29.40 1x31 s TRP 396 CO 0.12 -0.01 0.40 0.34 -4.62 0.00 0.00 176.95 173.19 1x31 s ASP 397 N 1.06 6.18 0.00 5.86 -1.08 -0.02 -4.95 116.67 123.73 1x31 s ASP 397 Ca 0.18 -0.55 0.27 0.00 -0.52 0.00 0.00 52.55 51.93 1x31 s ASP 397 Cb -0.15 -2.21 1.46 0.00 -1.46 0.00 0.00 42.92 40.57 1x31 s ASP 397 CO 0.08 -0.49 1.96 0.35 0.52 0.00 0.00 175.17 177.58 1x31 n THR 398 N 5.35 0.09 0.01 1.71 -2.24 -1.26 0.19 114.28 118.13 1x31 n THR 398 Ca -0.08 0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 1x31 n THR 398 Cb 0.48 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 1x31 n THR 398 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1x31 h SER 399 N 0.00 0.33 -0.01 3.42 0.87 -1.95 -3.37 113.55 112.84 1x31 h SER 399 Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1x31 h SER 399 Cb 0.18 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1x31 h SER 399 CO 0.00 1.40 -0.38 2.30 -0.53 0.00 0.00 176.83 179.61 1x31 n ILE 400 N -4.17 0.00 -3.20 2.23 -5.35 -1.22 -4.31 119.36 103.33 1x31 n ILE 400 Ca -0.18 -0.31 -0.09 0.00 -0.27 0.00 0.00 62.75 61.90 1x31 n ILE 400 Cb 0.78 1.14 0.03 0.00 -1.74 0.00 0.00 39.64 39.84 1x31 n ILE 400 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1x31 n HIS 401 N -0.41 -2.68 -3.58 4.28 8.25 0.13 -4.71 115.22 116.51 1x31 n HIS 401 Ca 0.05 0.97 -0.10 0.00 -0.26 0.00 0.00 57.72 58.39 1x31 n HIS 401 Cb 0.29 -4.03 -0.02 0.00 1.12 0.00 0.00 29.99 27.35 1x31 n HIS 401 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x31 s ALA 402 N -3.18 -1.50 0.05 -1.41 0.00 -1.01 -4.89 121.76 109.81 1x31 s ALA 402 Ca 0.21 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 1x31 s ALA 402 Cb -0.03 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1x31 s ALA 402 CO 0.76 -0.86 0.85 -0.06 0.00 0.00 0.00 175.76 176.45 1x31 s PHE 403 N -3.73 3.73 0.15 0.00 0.08 -1.26 -0.84 117.98 116.11 1x31 s PHE 403 Ca 0.05 1.58 0.06 0.00 0.12 0.00 0.00 56.93 58.74 1x31 s PHE 403 Cb -0.03 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 1x31 s PHE 403 CO -0.06 0.19 -0.14 0.14 -0.10 0.00 0.00 175.22 175.26 1x31 s VAL 404 N 0.20 1.45 0.40 -0.44 -7.23 0.09 -4.14 120.40 110.73 1x31 s VAL 404 Ca 0.43 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1x31 s VAL 404 Cb -0.21 -1.77 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 1x31 s VAL 404 CO 0.25 -0.53 1.17 -2.16 -0.31 0.00 0.00 175.10 173.52 1x31 s PRO 405 N -3.19 4.03 0.00 4.82 0.04 -1.26 -0.14 135.00 139.30 1x31 s PRO 405 Ca 0.15 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1x31 s PRO 405 Cb -0.02 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1x31 s PRO 405 CO 0.04 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 176.74 1x31 n ALA 406 N 0.03 0.00 -1.83 8.56 0.00 0.25 -4.63 120.51 122.88 1x31 n ALA 406 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1x31 n ALA 406 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1x31 n ALA 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x31 s ASP 407 N -1.00 6.78 0.56 0.00 1.01 -1.26 -4.96 116.67 117.80 1x31 s ASP 407 Ca 0.00 2.63 -0.20 0.00 0.71 0.00 0.00 52.55 55.69 1x31 s ASP 407 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1x31 s ASP 407 CO 0.00 -0.56 1.24 0.00 0.21 0.00 0.00 175.17 176.06 1x31 s ALA 408 N -0.70 2.66 0.76 5.23 0.00 -1.26 -4.51 121.76 123.95 1x31 s ALA 408 Ca 0.52 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 1x31 s ALA 408 Cb -0.39 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.31 1x31 s ALA 408 CO 0.48 -1.15 1.14 0.08 0.00 0.00 0.00 175.76 176.30 1x31 s VAL 409 N -1.51 2.81 0.21 0.00 1.01 -1.26 -4.89 120.40 116.77 1x31 s VAL 409 Ca 0.74 0.33 -0.32 0.00 0.00 0.00 0.00 61.98 62.73 1x31 s VAL 409 Cb -0.33 -2.75 -0.14 0.00 0.00 0.00 0.00 36.38 33.16 1x31 s VAL 409 CO 0.37 -0.28 1.37 0.00 0.00 0.00 0.00 175.10 176.56 1x31 n ALA 410 N -3.16 0.69 -2.58 5.51 0.00 -1.26 -1.70 120.51 118.00 1x31 n ALA 410 Ca 0.11 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.77 1x31 n ALA 410 Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1x31 n ALA 410 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x31 n ASN 411 N 2.27 -5.86 -4.21 0.00 3.02 -1.26 -4.91 115.26 104.31 1x31 n ASN 411 Ca 0.13 -0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 1x31 n ASN 411 Cb 0.29 -4.81 -0.11 0.00 -0.61 0.00 0.00 39.78 34.54 1x31 n ASN 411 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x31 s GLN 412 N -5.22 0.94 0.06 3.52 -0.21 -0.69 -1.97 119.66 116.08 1x31 s GLN 412 Ca 0.10 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.31 1x31 s GLN 412 Cb -0.04 -0.71 -0.03 0.00 1.00 0.00 0.00 33.01 33.23 1x31 s GLN 412 CO 0.12 0.12 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.30 1x31 s HIS 413 N -2.33 0.93 -0.05 0.91 3.76 0.97 -4.64 115.29 114.84 1x31 s HIS 413 Ca 0.07 -0.51 0.06 0.00 -0.15 0.00 0.00 55.06 54.54 1x31 s HIS 413 Cb -0.04 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 33.11 1x31 s HIS 413 CO 0.01 -0.02 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.14 1x31 s LEU 414 N -1.75 2.03 0.09 0.89 1.43 -1.26 -0.47 118.68 119.64 1x31 s LEU 414 Ca -0.05 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1x31 s LEU 414 Cb -0.09 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1x31 s LEU 414 CO 0.01 0.23 0.22 0.00 0.23 0.00 0.00 176.35 177.04 1x31 s ALA 415 N -0.15 -0.33 0.00 4.21 0.00 -0.65 -4.93 121.76 119.91 1x31 s ALA 415 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1x31 s ALA 415 Cb -0.13 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1x31 s ALA 415 CO 0.03 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1x31 n GLY 416 N -0.02 -1.42 0.39 0.00 0.00 -1.26 -3.86 105.19 99.01 1x31 n GLY 416 Ca -0.15 -1.28 0.18 0.00 0.00 0.00 0.00 46.02 44.77 1x31 n GLY 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 h ALA 417 N -0.19 1.99 -0.20 4.61 0.00 -1.86 0.12 119.26 123.74 1x31 h ALA 417 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x31 h ALA 417 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1x31 h ALA 417 CO 0.00 -0.73 0.13 1.25 0.00 0.00 0.00 179.25 179.90 1x31 h LEU 418 N 0.00 0.19 0.00 0.00 5.85 -1.67 -1.01 115.31 118.68 1x31 h LEU 418 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1x31 h LEU 418 Cb 1.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1x31 h LEU 418 CO -0.00 0.14 -0.11 0.35 -0.34 0.00 0.00 178.44 178.47 1x31 n THR 419 N -4.51 0.13 0.00 1.05 -2.24 0.42 -4.29 114.28 104.85 1x31 n THR 419 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1x31 n THR 419 Cb 0.11 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1x31 n THR 419 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x31 n GLY 420 N 1.45 0.89 3.61 3.38 0.00 -0.38 -4.81 105.19 109.33 1x31 n GLY 420 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1x31 n GLY 420 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x31 s LEU 421 N 0.00 4.12 -0.14 0.99 1.43 -1.26 -4.94 118.68 118.87 1x31 s LEU 421 Ca 0.00 0.54 0.17 0.00 -1.03 0.00 0.00 54.13 53.81 1x31 s LEU 421 Cb 0.00 -2.94 0.75 0.00 0.03 0.00 0.00 46.19 44.03 1x31 s LEU 421 CO 0.00 -0.54 1.67 0.18 0.23 0.00 0.00 176.35 177.88 1x31 n LEU 422 N 6.03 5.03 -4.71 1.79 4.77 -1.26 -3.08 117.00 125.57 1x31 n LEU 422 Ca 0.01 -2.57 -0.27 0.00 -0.03 0.00 0.00 56.01 53.15 1x31 n LEU 422 Cb 0.48 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 1x31 n LEU 422 CO 0.48 0.77 -0.29 1.51 -1.33 0.00 0.00 177.39 178.53 1x31 s ASP 423 N -0.89 5.07 0.31 -1.43 -4.77 -1.26 -5.01 116.67 108.68 1x31 s ASP 423 Ca 0.52 -0.28 0.01 0.00 -3.30 0.00 0.00 52.55 49.51 1x31 s ASP 423 Cb 0.35 -1.19 0.49 0.00 -1.09 0.00 0.00 42.92 41.48 1x31 s ASP 423 CO 0.23 0.09 1.85 0.74 0.70 0.00 0.00 175.17 178.78 1x31 h THR 424 N 2.36 1.21 -0.90 2.11 2.02 -1.92 -2.69 112.91 115.10 1x31 h THR 424 Ca -0.47 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1x31 h THR 424 Cb 1.20 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1x31 h THR 424 CO 0.60 0.28 0.56 0.00 0.37 0.00 0.00 175.52 177.34 1x31 h ALA 425 N 1.42 1.14 -0.21 6.16 0.00 -1.86 -1.50 119.26 124.41 1x31 h ALA 425 Ca 0.15 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1x31 h ALA 425 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1x31 h ALA 425 CO 0.00 0.58 -0.45 0.77 0.00 0.00 0.00 179.25 180.15 1x31 h SER 426 N 1.23 0.56 -0.00 0.00 0.02 -1.90 -1.11 113.55 112.34 1x31 h SER 426 Ca 0.32 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1x31 h SER 426 Cb -0.08 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1x31 h SER 426 CO -0.06 0.93 0.00 0.00 -1.14 0.00 0.00 176.83 176.55 1x31 h ALA 427 N 1.09 0.00 -0.75 3.77 0.00 -1.12 0.85 119.26 123.11 1x31 h ALA 427 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1x31 h ALA 427 Cb 0.95 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1x31 h ALA 427 CO 0.08 -0.44 0.30 -0.07 0.00 0.00 0.00 179.25 179.12 1x31 h LEU 428 N -0.12 1.03 -0.03 0.00 3.38 -1.23 0.26 115.31 118.61 1x31 h LEU 428 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1x31 h LEU 428 Cb 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1x31 h LEU 428 CO -0.00 0.92 -0.03 -1.28 0.09 0.00 0.00 178.44 178.14 1x31 h SER 429 N 1.09 0.08 -0.05 -0.43 0.87 -1.03 -1.31 113.55 112.77 1x31 h SER 429 Ca 0.25 -0.50 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 1x31 h SER 429 Cb 0.21 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1x31 h SER 429 CO -0.02 0.56 -0.41 0.71 -0.53 0.00 0.00 176.83 177.14 1x31 h THR 430 N -0.40 1.30 0.16 2.23 1.35 -0.81 -2.31 112.91 114.43 1x31 h THR 430 Ca 0.00 -1.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.29 1x31 h THR 430 Cb 0.54 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1x31 h THR 430 CO 0.01 0.50 -0.11 1.23 -0.25 0.00 0.00 175.52 176.90 1x31 h GLY 431 N 1.05 -0.26 0.97 5.82 0.00 -0.46 -0.62 103.07 109.57 1x31 h GLY 431 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1x31 h GLY 431 CO 0.08 -0.11 0.25 0.00 0.00 0.00 0.00 176.54 176.76 1x31 h ALA 432 N 0.57 0.49 -0.44 3.60 0.00 -1.20 -1.90 119.26 120.39 1x31 h ALA 432 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x31 h ALA 432 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1x31 h ALA 432 CO 0.01 -0.07 0.23 0.00 0.00 0.00 0.00 179.25 179.42 1x31 h ALA 433 N 1.15 0.56 -0.43 0.00 0.00 -1.30 -1.93 119.26 117.31 1x31 h ALA 433 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1x31 h ALA 433 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1x31 h ALA 433 CO -0.04 0.09 -0.12 1.79 0.00 0.00 0.00 179.25 180.97 1x31 h THR 434 N 0.57 1.26 -0.43 0.00 1.35 -0.94 0.93 112.91 115.64 1x31 h THR 434 Ca 0.15 -1.18 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 1x31 h THR 434 Cb 0.07 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1x31 h THR 434 CO -0.02 0.40 0.10 1.23 -0.25 0.00 0.00 175.52 176.98 1x31 h GLY 435 N 0.97 0.74 1.13 5.82 0.00 -1.22 0.32 103.07 110.85 1x31 h GLY 435 Ca 0.12 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1x31 h GLY 435 CO 0.04 0.44 -0.00 0.00 0.00 0.00 0.00 176.54 177.01 1x31 h ALA 436 N 0.96 0.87 -0.54 3.60 0.00 -1.16 -0.50 119.26 122.50 1x31 h ALA 436 Ca 0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1x31 h ALA 436 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1x31 h ALA 436 CO 0.00 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 1x31 h ALA 437 N 1.04 0.83 -0.12 0.00 0.00 -0.51 0.32 119.26 120.80 1x31 h ALA 437 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1x31 h ALA 437 Cb 0.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x31 h ALA 437 CO 0.03 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 1x31 h ALA 438 N 1.00 0.17 -0.27 0.00 0.00 -0.14 -0.37 119.26 119.64 1x31 h ALA 438 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1x31 h ALA 438 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1x31 h ALA 438 CO 0.04 -0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.32 1x31 h ALA 439 N 0.71 0.33 -0.40 0.00 0.00 -1.00 -1.33 119.26 117.56 1x31 h ALA 439 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1x31 h ALA 439 Cb 0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1x31 h ALA 439 CO 0.01 -0.25 0.18 0.77 0.00 0.00 0.00 179.25 179.95 1x31 h SER 440 N 0.29 0.23 0.63 0.00 0.02 -0.77 -0.21 113.55 113.74 1x31 h SER 440 Ca 0.11 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1x31 h SER 440 Cb 0.03 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1x31 h SER 440 CO -0.07 0.17 -0.02 0.00 -1.14 0.00 0.00 176.83 175.77 1x31 h ALA 441 N 1.23 1.03 -0.01 3.77 0.00 -0.72 -1.14 119.26 123.41 1x31 h ALA 441 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x31 h ALA 441 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x31 h ALA 441 CO -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.10 1x31 n ALA 442 N -2.11 2.64 0.00 0.00 0.00 -0.44 -4.90 120.51 115.69 1x31 n ALA 442 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1x31 n ALA 442 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1x31 n ALA 442 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 443 N 1.16 0.97 2.91 0.00 0.00 -0.43 -5.05 105.19 104.75 1x31 n GLY 443 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1x31 n GLY 443 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x31 s PHE 444 N -2.00 3.23 0.14 1.61 0.08 -0.22 -4.99 117.98 115.83 1x31 s PHE 444 Ca 0.00 -3.19 -0.33 0.00 0.12 0.00 0.00 56.93 53.53 1x31 s PHE 444 Cb 0.00 -2.70 -0.17 0.00 -0.57 0.00 0.00 43.02 39.58 1x31 s PHE 444 CO 0.00 -0.67 1.04 -1.91 -0.10 0.00 0.00 175.22 173.58 1x31 n GLU 445 N 2.72 0.76 -3.67 0.44 0.00 -1.26 -2.83 120.64 116.80 1x31 n GLU 445 Ca 0.11 0.27 -0.12 0.00 0.00 0.00 0.00 57.16 57.42 1x31 n GLU 445 Cb 0.33 -1.69 -0.08 0.00 0.00 0.00 0.00 31.44 30.00 1x31 n GLU 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1x31 s LYS 446 N -0.41 0.65 -0.21 5.31 2.47 -1.26 -4.87 119.74 121.42 1x31 s LYS 446 Ca 0.75 0.88 -0.05 0.00 -1.56 0.00 0.00 55.97 55.99 1x31 s LYS 446 Cb -0.94 0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 35.66 1x31 s LYS 446 CO 0.54 -0.10 -0.01 0.42 0.16 0.00 0.00 175.35 176.36 1x31 s ILE 447 N 0.68 3.82 0.30 5.43 1.01 -1.26 -4.71 121.20 126.47 1x31 s ILE 447 Ca -0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1x31 s ILE 447 Cb -0.05 -2.74 -0.12 0.00 0.01 0.00 0.00 42.46 39.57 1x31 s ILE 447 CO -0.04 0.42 1.57 0.00 0.00 0.00 0.00 174.94 176.88 1x31 n ALA 448 N 4.46 2.44 -3.71 9.38 0.00 -1.26 -5.01 120.51 126.80 1x31 n ALA 448 Ca -0.17 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1x31 n ALA 448 Cb 0.51 -2.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.37 1x31 n ALA 448 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x31 s GLU 449 N -0.73 3.12 -0.31 0.00 2.12 -1.26 -5.01 118.70 116.63 1x31 s GLU 449 Ca 0.63 -0.78 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 1x31 s GLU 449 Cb -0.50 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1x31 s GLU 449 CO 0.51 -0.26 0.45 0.08 -0.54 0.00 0.00 175.26 175.50 1x31 s VAL 450 N 1.39 5.09 0.53 3.70 1.01 -1.26 -4.86 120.40 126.00 1x31 s VAL 450 Ca 0.04 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 1x31 s VAL 450 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1x31 s VAL 450 CO -0.06 -0.04 1.34 -2.84 0.00 0.00 0.00 175.10 173.49 1x31 s PRO 451 N 2.23 3.25 -0.02 2.72 0.02 -1.26 -4.99 135.00 136.94 1x31 s PRO 451 Ca 0.17 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1x31 s PRO 451 Cb -0.16 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 1x31 s PRO 451 CO 0.11 -1.09 0.05 -0.65 -0.33 0.00 0.00 177.00 175.09 1x31 s GLN 452 N -2.85 3.00 -0.01 5.54 -1.52 -1.26 -4.64 119.66 117.92 1x31 s GLN 452 Ca 0.70 -0.48 -0.09 0.00 -1.95 0.00 0.00 55.36 53.54 1x31 s GLN 452 Cb -0.39 -2.82 0.01 0.00 -0.22 0.00 0.00 33.01 29.59 1x31 s GLN 452 CO 0.47 0.66 0.19 0.00 -0.25 0.00 0.00 175.29 176.35 1x31 s ALA 453 N -1.10 -0.46 0.68 6.09 0.00 -1.26 -0.31 121.76 125.39 1x31 s ALA 453 Ca 0.20 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 1x31 s ALA 453 Cb -0.12 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1x31 s ALA 453 CO 0.10 -0.21 1.26 1.28 0.00 0.00 0.00 175.76 178.20 1x31 n LEU 454 N 1.62 5.60 -4.74 0.00 4.77 -1.26 -4.77 117.00 118.22 1x31 n LEU 454 Ca -0.21 0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 56.13 1x31 n LEU 454 Cb 0.56 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1x31 n LEU 454 CO 0.21 -1.19 0.81 0.00 -1.33 0.00 0.00 177.39 175.89 1x31 s ALA 455 N -1.55 3.38 -0.53 -1.18 0.00 -1.26 -4.64 121.76 115.99 1x31 s ALA 455 Ca 0.81 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.64 1x31 s ALA 455 Cb -0.36 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 19.55 1x31 s ALA 455 CO 0.43 -0.25 0.37 0.08 0.00 0.00 0.00 175.76 176.39 1x31 s VAL 456 N -0.14 1.56 0.30 0.00 1.01 -1.26 -5.11 120.40 116.75 1x31 s VAL 456 Ca 0.50 -3.21 -0.28 0.00 0.00 0.00 0.00 61.98 59.00 1x31 s VAL 456 Cb -0.30 -2.05 -0.14 0.00 0.00 0.00 0.00 36.38 33.89 1x31 s VAL 456 CO 0.35 -1.06 0.99 -2.65 0.00 0.00 0.00 175.10 172.73 1x31 n PRO 457 N 2.73 1.32 -2.03 2.72 -0.02 -1.26 -4.85 135.00 133.61 1x31 n PRO 457 Ca 0.20 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1x31 n PRO 457 Cb 0.39 -1.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.06 1x31 n PRO 457 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x31 s ALA 458 N -1.08 2.60 0.41 3.55 0.00 -1.26 -4.99 121.76 120.99 1x31 s ALA 458 Ca 0.59 0.68 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1x31 s ALA 458 Cb -0.69 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.09 1x31 s ALA 458 CO 0.60 -0.99 0.06 0.41 0.00 0.00 0.00 175.76 175.83 1x31 n GLY 459 N -0.20 3.50 3.77 0.00 0.00 -1.26 -5.06 105.19 105.94 1x31 n GLY 459 Ca 0.11 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1x31 n GLY 459 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x31 s GLU 460 N -3.53 3.21 -0.14 1.61 2.12 -1.26 -4.93 118.70 115.79 1x31 s GLU 460 Ca 0.08 1.66 -0.00 0.00 0.36 0.00 0.00 54.97 57.07 1x31 s GLU 460 Cb 0.00 -1.98 0.03 0.00 0.26 0.00 0.00 34.13 32.44 1x31 s GLU 460 CO 0.06 -0.97 -0.08 0.99 -0.54 0.00 0.00 175.26 174.71 1x31 s THR 461 N -1.75 1.17 -0.16 -1.70 2.01 -1.26 -4.39 115.64 109.55 1x31 s THR 461 Ca 0.74 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1x31 s THR 461 Cb -0.26 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1x31 s THR 461 CO 0.29 0.31 0.62 -0.60 -0.69 0.00 0.00 174.62 174.55 1x31 s ARG 462 N 1.64 4.27 -0.11 4.92 3.52 -0.45 -4.90 118.95 127.85 1x31 s ARG 462 Ca 0.03 0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 55.98 1x31 s ARG 462 Cb -0.14 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1x31 s ARG 462 CO -0.08 -0.13 1.21 -1.25 -0.81 0.00 0.00 175.30 174.24 1x31 s PRO 463 N 1.52 4.30 -0.42 5.12 0.04 -1.26 -4.84 135.00 139.47 1x31 s PRO 463 Ca 0.30 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1x31 s PRO 463 Cb -0.16 -3.64 0.13 0.00 0.04 0.00 0.00 34.50 30.87 1x31 s PRO 463 CO 0.12 -0.55 0.22 0.08 0.04 0.00 0.00 177.00 176.90 1x31 s VAL 464 N 2.74 1.25 -0.21 -0.36 1.01 -1.26 -4.98 120.40 118.59 1x31 s VAL 464 Ca 0.55 -2.36 0.19 0.00 0.00 0.00 0.00 61.98 60.35 1x31 s VAL 464 Cb -0.23 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1x31 s VAL 464 CO 0.18 -0.88 1.17 -0.50 0.00 0.00 0.00 175.10 175.07 1x31 h TRP 465 N 6.91 0.00 -1.07 5.22 4.06 -1.92 -3.42 115.95 125.72 1x31 h TRP 465 Ca -0.02 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.99 1x31 h TRP 465 Cb 0.94 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 28.88 1x31 h TRP 465 CO 0.47 0.33 -0.31 -1.17 -3.56 0.00 0.00 178.44 174.19 1x31 s LEU 466 N -5.92 -1.39 -0.07 -4.49 2.96 -1.26 -4.32 118.68 104.19 1x31 s LEU 466 Ca 0.01 0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 1x31 s LEU 466 Cb 0.08 2.05 -0.02 0.00 0.50 0.00 0.00 46.19 48.80 1x31 s LEU 466 CO 0.77 -0.27 1.03 -0.69 -1.32 0.00 0.00 176.35 175.86 1x31 s VAL 467 N 2.83 4.72 0.80 1.68 1.01 -0.44 -5.01 120.40 125.99 1x31 s VAL 467 Ca 0.18 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 64.00 1x31 s VAL 467 Cb -0.14 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.05 1x31 s VAL 467 CO -0.22 0.05 1.21 -2.84 0.00 0.00 0.00 175.10 173.29 1x31 s PRO 468 N 1.75 1.69 0.30 2.72 0.02 -1.26 -4.66 135.00 135.56 1x31 s PRO 468 Ca 0.50 1.76 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 1x31 s PRO 468 Cb -0.20 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1x31 s PRO 468 CO 0.21 -2.17 0.90 0.45 -0.33 0.00 0.00 177.00 176.06 1x31 s SER 469 N -2.14 7.31 0.00 2.53 0.15 -1.26 -4.84 113.70 115.45 1x31 s SER 469 Ca 0.73 1.77 0.18 0.00 0.70 0.00 0.00 55.95 59.33 1x31 s SER 469 Cb -0.29 -2.55 0.80 0.00 -1.71 0.00 0.00 66.02 62.27 1x31 s SER 469 CO 0.50 -0.03 1.58 0.18 1.20 0.00 0.00 173.24 176.67 1x31 n LEU 470 N 0.68 0.00 -0.03 3.45 4.77 -1.26 -3.26 117.00 121.35 1x31 n LEU 470 Ca 0.01 0.47 0.10 0.00 -0.03 0.00 0.00 56.01 56.56 1x31 n LEU 470 Cb 0.50 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1x31 n LEU 470 CO 0.45 -0.18 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.10 1x31 n SER 471 N -1.47 1.06 0.00 -1.43 7.64 -1.26 -5.09 113.62 113.07 1x31 n SER 471 Ca 0.05 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1x31 n SER 471 Cb 0.20 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1x31 n SER 471 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x31 n GLY 472 N 1.49 0.42 0.43 0.23 0.00 -1.20 -4.97 105.19 101.59 1x31 n GLY 472 Ca 0.04 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.58 1x31 n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x31 n ASP 473 N 0.00 1.78 -4.78 1.61 8.00 -1.26 -4.12 116.55 117.78 1x31 n ASP 473 Ca 0.00 -1.39 -0.36 0.00 0.71 0.00 0.00 54.79 53.75 1x31 n ASP 473 Cb 0.00 0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1x31 n ASP 473 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x31 s ASP 474 N -1.53 6.18 0.33 -2.24 2.15 -1.26 -4.94 116.67 115.36 1x31 s ASP 474 Ca 0.14 2.18 0.12 0.00 0.43 0.00 0.00 52.55 55.42 1x31 s ASP 474 Cb 0.12 -2.59 0.98 0.00 -0.30 0.00 0.00 42.92 41.12 1x31 s ASP 474 CO 0.29 -0.90 1.69 0.00 -0.17 0.00 0.00 175.17 176.08 1x31 h ALA 475 N 1.85 1.85 -0.42 3.66 0.00 -1.99 -1.07 119.26 123.14 1x31 h ALA 475 Ca -0.49 0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1x31 h ALA 475 Cb 1.24 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1x31 h ALA 475 CO 0.60 -0.42 0.34 -0.24 0.00 0.00 0.00 179.25 179.53 1x31 h VAL 476 N 0.45 0.62 -0.00 0.00 3.04 -1.98 -0.15 116.25 118.23 1x31 h VAL 476 Ca 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.37 1x31 h VAL 476 Cb 1.44 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1x31 h VAL 476 CO -0.54 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.43 1x31 n HIS 477 N -4.14 0.00 -1.25 3.17 8.25 -0.40 -3.54 115.22 117.30 1x31 n HIS 477 Ca 0.07 -0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 1x31 n HIS 477 Cb 0.53 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.83 1x31 n HIS 477 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1x31 n TYR 478 N -0.90 0.31 1.19 4.41 4.01 -0.07 -4.66 117.16 121.44 1x31 n TYR 478 Ca 0.20 -1.19 0.13 0.00 -0.16 0.00 0.00 57.90 56.87 1x31 n TYR 478 Cb 0.09 -0.25 0.65 0.00 -0.31 0.00 0.00 39.34 39.52 1x31 n TYR 478 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x31 n LYS 479 N -1.16 0.30 -0.12 -0.72 5.02 -1.23 -1.91 118.16 118.34 1x31 n LYS 479 Ca 0.20 0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.59 1x31 n LYS 479 Cb 0.75 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.35 1x31 n LYS 479 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1x31 n PHE 480 N -1.33 0.00 -3.16 2.13 3.72 -1.26 -4.89 117.46 112.67 1x31 n PHE 480 Ca 0.11 -0.71 -0.45 0.00 -0.05 0.00 0.00 57.45 56.34 1x31 n PHE 480 Cb 0.23 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 1x31 n PHE 480 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1x31 s HIS 481 N -1.98 3.58 0.09 1.38 3.76 -1.18 -0.43 115.29 120.49 1x31 s HIS 481 Ca 0.20 -1.88 -0.31 0.00 -0.15 0.00 0.00 55.06 52.93 1x31 s HIS 481 Cb 0.18 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.78 1x31 s HIS 481 CO 0.02 -1.19 1.23 -0.06 -0.85 0.00 0.00 174.74 173.89 1x31 s PHE 482 N 0.99 3.40 -0.19 1.40 0.08 -1.26 -0.94 117.98 121.46 1x31 s PHE 482 Ca 0.27 1.25 0.01 0.00 0.12 0.00 0.00 56.93 58.58 1x31 s PHE 482 Cb -0.08 -3.47 -0.12 0.00 -0.57 0.00 0.00 43.02 38.78 1x31 s PHE 482 CO -0.08 -1.48 -0.17 0.28 -0.10 0.00 0.00 175.22 173.67 1x31 n VAL 483 N 3.76 1.08 -3.80 -0.44 0.31 0.41 -4.74 118.33 114.91 1x31 n VAL 483 Ca 0.09 -0.41 -0.30 0.00 -0.01 0.00 0.00 64.34 63.71 1x31 n VAL 483 Cb 0.45 -1.16 -0.15 0.00 -0.91 0.00 0.00 33.84 32.07 1x31 n VAL 483 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x31 s ASP 484 N -5.82 4.13 0.11 4.52 -1.08 -0.95 -4.36 116.67 113.23 1x31 s ASP 484 Ca -0.25 -1.69 -0.24 0.00 -0.52 0.00 0.00 52.55 49.85 1x31 s ASP 484 Cb 0.07 -1.02 -0.08 0.00 -1.46 0.00 0.00 42.92 40.42 1x31 s ASP 484 CO 0.43 -0.40 1.69 -0.07 0.52 0.00 0.00 175.17 177.34 1x31 h LEU 485 N 7.99 -0.34 -1.07 -1.34 3.38 -1.89 -1.16 115.31 120.89 1x31 h LEU 485 Ca -0.12 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x31 h LEU 485 Cb 1.02 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1x31 h LEU 485 CO 0.47 -0.17 0.63 -0.61 0.09 0.00 0.00 178.44 178.86 1x31 h GLN 486 N -0.20 1.25 -0.01 1.13 4.15 -1.97 -1.21 115.11 118.26 1x31 h GLN 486 Ca 0.04 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1x31 h GLN 486 Cb 0.25 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1x31 h GLN 486 CO -0.11 0.83 -0.03 0.54 -1.93 0.00 0.00 178.83 178.12 1x31 n ARG 487 N -4.39 1.10 -3.65 1.69 5.12 -1.15 -4.57 116.66 110.81 1x31 n ARG 487 Ca 0.11 -0.35 -0.27 0.00 -1.93 0.00 0.00 57.85 55.42 1x31 n ARG 487 Cb 0.02 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1x31 n ARG 487 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x31 n ASP 488 N -0.64 -5.48 -4.80 0.55 8.00 -0.46 -4.90 116.55 108.82 1x31 n ASP 488 Ca 0.20 -0.60 -0.35 0.00 0.71 0.00 0.00 54.79 54.74 1x31 n ASP 488 Cb 0.23 -4.36 -0.07 0.00 -0.02 0.00 0.00 41.12 36.90 1x31 n ASP 488 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x31 s GLN 489 N -6.35 3.21 0.43 -1.24 -1.52 -0.64 -4.95 119.66 108.60 1x31 s GLN 489 Ca 0.57 -0.31 0.03 0.00 -1.95 0.00 0.00 55.36 53.71 1x31 s GLN 489 Cb -0.27 -2.99 -0.01 0.00 -0.22 0.00 0.00 33.01 29.52 1x31 s GLN 489 CO 0.71 0.72 0.10 0.25 -0.25 0.00 0.00 175.29 176.82 1x31 n THR 490 N 1.79 0.00 0.02 -0.19 -2.24 -1.26 -0.44 114.28 111.96 1x31 n THR 490 Ca -0.17 -2.36 0.02 0.00 -2.27 0.00 0.00 64.05 59.27 1x31 n THR 490 Cb 0.54 0.74 0.38 0.00 -2.10 0.00 0.00 70.33 69.88 1x31 n THR 490 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x31 h VAL 491 N 1.55 1.15 -0.50 2.28 2.07 -1.08 -1.32 116.25 120.39 1x31 h VAL 491 Ca -0.34 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1x31 h VAL 491 Cb 1.22 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1x31 h VAL 491 CO 0.55 0.18 0.19 0.00 0.02 0.00 0.00 177.57 178.51 1x31 h ALA 492 N 1.65 1.38 -0.39 1.67 0.00 -1.66 0.37 119.26 122.28 1x31 h ALA 492 Ca 0.12 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1x31 h ALA 492 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1x31 h ALA 492 CO -0.01 0.46 -0.30 -0.44 0.00 0.00 0.00 179.25 178.97 1x31 h ASP 493 N 0.72 0.88 -0.58 0.00 3.32 -1.55 -1.35 116.42 117.87 1x31 h ASP 493 Ca 0.17 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1x31 h ASP 493 Cb 0.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1x31 h ASP 493 CO -0.01 1.11 0.18 0.58 -1.72 0.00 0.00 179.24 179.37 1x31 h VAL 494 N 0.72 1.24 -0.46 -1.35 2.07 -0.84 -2.54 116.25 115.09 1x31 h VAL 494 Ca 0.08 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1x31 h VAL 494 Cb 0.85 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1x31 h VAL 494 CO 0.07 0.31 0.22 -0.07 0.02 0.00 0.00 177.57 178.12 1x31 h LEU 495 N 0.82 0.57 -0.73 2.57 3.38 -0.67 -1.10 115.31 120.15 1x31 h LEU 495 Ca 0.19 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1x31 h LEU 495 Cb 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1x31 h LEU 495 CO -0.00 0.50 -0.01 -0.09 0.09 0.00 0.00 178.44 178.92 1x31 h ARG 496 N 0.65 0.96 -0.31 1.13 2.43 -0.90 0.37 114.38 118.70 1x31 h ARG 496 Ca 0.16 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1x31 h ARG 496 Cb 0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1x31 h ARG 496 CO -0.02 0.95 -0.28 0.00 -1.51 0.00 0.00 179.97 179.11 1x31 h ALA 497 N 1.10 0.46 0.00 2.80 0.00 -0.97 -2.52 119.26 120.12 1x31 h ALA 497 Ca 0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1x31 h ALA 497 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1x31 h ALA 497 CO 0.03 0.47 -0.46 1.79 0.00 0.00 0.00 179.25 181.08 1x31 h THR 498 N 0.51 1.06 0.00 0.00 1.35 -1.10 -2.46 112.91 112.27 1x31 h THR 498 Ca 0.05 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1x31 h THR 498 Cb 0.85 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1x31 h THR 498 CO 0.07 0.45 0.00 1.23 -0.25 0.00 0.00 175.52 177.02 1x31 h GLY 499 N 2.02 0.00 0.51 5.82 0.00 -0.81 -2.91 103.07 107.70 1x31 h GLY 499 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x31 h GLY 499 CO 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.46 1x31 n ALA 500 N -1.97 2.83 0.00 3.60 0.00 -0.94 -4.91 120.51 119.12 1x31 n ALA 500 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1x31 n ALA 500 Cb 0.38 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1x31 n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 501 N 1.27 0.82 3.81 0.00 0.00 -1.10 -5.10 105.19 104.89 1x31 n GLY 501 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1x31 n GLY 501 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x31 s MET 502 N -0.43 4.19 0.00 1.61 1.00 -1.09 -4.95 119.30 119.62 1x31 s MET 502 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 55.69 56.42 1x31 s MET 502 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 34.83 31.65 1x31 s MET 502 CO 0.00 0.61 0.00 1.04 0.00 0.00 0.00 175.02 176.67 1x31 n GLN 503 N 1.55 1.94 -2.17 2.03 6.02 -1.26 -4.22 117.38 121.28 1x31 n GLN 503 Ca -0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.49 1x31 n GLN 503 Cb 0.51 -0.79 -0.02 0.00 1.02 0.00 0.00 30.24 30.95 1x31 n GLN 503 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1x31 s SER 504 N -2.39 6.85 0.46 1.08 0.15 -1.26 -4.91 113.70 113.68 1x31 s SER 504 Ca 0.00 2.62 0.15 0.00 0.70 0.00 0.00 55.95 59.42 1x31 s SER 504 Cb 0.00 -2.65 1.05 0.00 -1.71 0.00 0.00 66.02 62.71 1x31 s SER 504 CO 0.00 -0.47 2.01 1.62 1.20 0.00 0.00 173.24 177.60 1x31 h VAL 505 N 3.04 1.10 -0.37 4.45 3.04 -1.93 -0.83 116.25 124.75 1x31 h VAL 505 Ca -0.49 -0.54 -0.09 0.00 -1.01 0.00 0.00 66.70 64.58 1x31 h VAL 505 Cb 1.22 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 1x31 h VAL 505 CO 0.66 0.15 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.91 1x31 h GLU 506 N 0.00 0.66 -0.07 4.17 4.39 -1.94 0.09 114.58 121.88 1x31 h GLU 506 Ca -0.00 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.36 1x31 h GLU 506 Cb 0.28 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1x31 h GLU 506 CO 0.02 0.76 -0.46 0.45 -1.16 0.00 0.00 179.01 178.62 1x31 h HIS 507 N 0.60 0.60 -0.93 4.33 3.86 -1.67 -2.82 115.15 119.11 1x31 h HIS 507 Ca 0.10 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1x31 h HIS 507 Cb 0.56 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1x31 h HIS 507 CO 0.02 1.05 0.58 0.82 0.86 0.00 0.00 177.93 181.26 1x31 h ILE 508 N -0.02 1.25 0.07 2.45 1.08 -1.04 -0.28 117.51 121.03 1x31 h ILE 508 Ca -0.04 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1x31 h ILE 508 Cb 1.13 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1x31 h ILE 508 CO 0.10 0.26 -0.05 0.50 -0.69 0.00 0.00 178.15 178.27 1x31 h LYS 509 N 1.28 -0.11 -0.03 2.37 3.64 -1.01 -1.30 116.57 121.42 1x31 h LYS 509 Ca 0.34 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1x31 h LYS 509 Cb -0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1x31 h LYS 509 CO -0.07 -0.08 -0.47 0.00 -2.27 0.00 0.00 179.45 176.57 1x31 h ARG 510 N -0.12 0.07 -0.06 1.90 3.08 -1.21 0.41 114.38 118.44 1x31 h ARG 510 Ca -0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 1x31 h ARG 510 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1x31 h ARG 510 CO 0.00 0.53 -0.60 -0.92 -1.07 0.00 0.00 179.97 177.91 1x31 h TYR 511 N 0.06 0.73 0.00 3.04 3.20 -0.93 -3.33 116.97 119.74 1x31 h TYR 511 Ca 0.00 -0.35 -0.18 0.00 3.14 0.00 0.00 58.73 61.34 1x31 h TYR 511 Cb 0.86 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1x31 h TYR 511 CO 0.00 1.15 -1.33 1.79 -1.64 0.00 0.00 178.16 178.14 1x31 h THR 512 N 0.10 0.61 0.00 1.81 1.35 -1.24 -3.48 112.91 112.07 1x31 h THR 512 Ca -0.06 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 1x31 h THR 512 Cb 1.27 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1x31 h THR 512 CO 0.12 0.35 0.00 -1.54 -0.25 0.00 0.00 175.52 174.20 1x31 n SER 513 N -2.96 -2.85 -4.73 5.36 3.41 0.14 -4.94 113.62 107.07 1x31 n SER 513 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 1x31 n SER 513 Cb 0.85 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1x31 n SER 513 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x31 s ILE 514 N -2.00 2.22 -0.23 -1.33 1.01 -1.14 -2.44 121.20 117.29 1x31 s ILE 514 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1x31 s ILE 514 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1x31 s ILE 514 CO 0.00 0.02 0.00 -1.54 0.00 0.00 0.00 174.94 173.42 1x31 n SER 515 N 3.55 -3.53 -1.06 3.58 3.41 -1.26 -4.80 113.62 113.50 1x31 n SER 515 Ca 0.13 0.05 0.10 0.00 -0.26 0.00 0.00 58.87 58.90 1x31 n SER 515 Cb 0.37 -1.22 0.23 0.00 -0.26 0.00 0.00 64.21 63.32 1x31 n SER 515 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x31 n THR 516 N -2.85 0.75 -1.53 6.66 -2.24 -1.02 -3.19 114.28 110.86 1x31 n THR 516 Ca -0.02 -0.87 -0.22 0.00 -2.27 0.00 0.00 64.05 60.67 1x31 n THR 516 Cb 0.12 0.73 0.16 0.00 -2.10 0.00 0.00 70.33 69.24 1x31 n THR 516 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x31 n ALA 517 N 1.27 -1.40 0.44 6.98 0.00 -1.26 -4.84 120.51 121.69 1x31 n ALA 517 Ca 0.18 -1.27 0.06 0.00 0.00 0.00 0.00 53.44 52.42 1x31 n ALA 517 Cb 0.55 -0.07 0.26 0.00 0.00 0.00 0.00 19.45 20.19 1x31 n ALA 517 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x31 n ASN 518 N -3.78 0.00 -0.52 0.00 2.04 -1.26 -0.97 115.26 110.77 1x31 n ASN 518 Ca 0.12 0.45 0.12 0.00 -0.44 0.00 0.00 54.58 54.83 1x31 n ASN 518 Cb 0.43 -0.47 0.10 0.00 -2.53 0.00 0.00 39.78 37.31 1x31 n ASN 518 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1x31 n ASP 519 N -1.47 1.97 -4.07 0.53 5.75 -1.26 -4.79 116.55 113.20 1x31 n ASP 519 Ca 0.03 -1.47 -0.30 0.00 -0.01 0.00 0.00 54.79 53.04 1x31 n ASP 519 Cb 0.14 0.33 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 1x31 n ASP 519 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x31 n GLN 520 N 0.07 -2.03 -1.60 0.11 1.13 -0.15 -2.20 117.38 112.71 1x31 n GLN 520 Ca 0.11 0.27 -0.19 0.00 -1.94 0.00 0.00 57.00 55.25 1x31 n GLN 520 Cb 0.46 -3.98 -0.07 0.00 0.11 0.00 0.00 30.24 26.76 1x31 n GLN 520 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x31 n GLY 521 N -2.19 1.63 0.27 1.08 0.00 -1.19 -4.89 105.19 99.90 1x31 n GLY 521 Ca -0.28 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1x31 n GLY 521 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x31 h LYS 522 N 0.00 0.00 -0.00 1.61 1.57 -1.78 0.32 116.57 118.29 1x31 h LYS 522 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1x31 h LYS 522 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1x31 h LYS 522 CO 0.55 0.01 -0.09 0.25 -0.57 0.00 0.00 179.45 179.60 1x31 n THR 523 N -4.34 0.00 0.08 -0.16 -2.24 -1.26 -4.74 114.28 101.62 1x31 n THR 523 Ca -0.03 -0.45 0.04 0.00 -2.27 0.00 0.00 64.05 61.34 1x31 n THR 523 Cb 0.10 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 1x31 n THR 523 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x31 n SER 524 N -0.62 2.44 0.41 3.42 3.41 -1.08 -4.57 113.62 117.03 1x31 n SER 524 Ca 0.01 -0.15 -0.18 0.00 -0.26 0.00 0.00 58.87 58.29 1x31 n SER 524 Cb 0.06 1.32 -0.09 0.00 -0.26 0.00 0.00 64.21 65.24 1x31 n SER 524 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1x31 h GLY 525 N 1.69 -1.27 1.49 5.00 0.00 -1.23 -1.09 103.07 107.66 1x31 h GLY 525 Ca 0.00 0.51 -0.17 0.00 0.00 0.00 0.00 47.33 47.67 1x31 h GLY 525 CO 0.00 -0.43 -0.59 -2.08 0.00 0.00 0.00 176.54 173.44 1x31 h VAL 526 N -1.13 1.33 -0.83 4.60 2.07 -1.88 -2.60 116.25 117.81 1x31 h VAL 526 Ca -0.10 -1.87 0.11 0.00 0.82 0.00 0.00 66.70 65.66 1x31 h VAL 526 Cb 0.90 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 32.44 1x31 h VAL 526 CO 0.12 0.58 0.46 0.00 0.02 0.00 0.00 177.57 178.74 1x31 h ALA 527 N 0.96 1.20 -0.43 1.67 0.00 -1.81 0.06 119.26 120.91 1x31 h ALA 527 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1x31 h ALA 527 Cb 1.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1x31 h ALA 527 CO 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.35 1x31 h ALA 528 N 1.48 1.10 -0.74 0.00 0.00 -0.95 -1.77 119.26 118.38 1x31 h ALA 528 Ca 0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1x31 h ALA 528 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1x31 h ALA 528 CO -0.28 0.56 0.37 0.82 0.00 0.00 0.00 179.25 180.72 1x31 h ILE 529 N 0.68 1.24 -0.30 0.00 1.08 -0.67 -0.82 117.51 118.71 1x31 h ILE 529 Ca 0.13 -0.65 -0.09 0.00 -0.39 0.00 0.00 64.86 63.86 1x31 h ILE 529 Cb 0.49 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 1x31 h ILE 529 CO 0.03 0.28 -0.18 1.23 -0.69 0.00 0.00 178.15 178.81 1x31 h GLY 530 N 1.04 0.58 1.01 5.37 0.00 -0.73 -1.65 103.07 108.70 1x31 h GLY 530 Ca 0.26 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1x31 h GLY 530 CO -0.03 0.41 -0.38 -2.08 0.00 0.00 0.00 176.54 174.45 1x31 h VAL 531 N 0.49 1.30 -0.84 4.60 2.07 -0.85 -2.03 116.25 120.99 1x31 h VAL 531 Ca 0.08 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1x31 h VAL 531 Cb 0.59 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1x31 h VAL 531 CO 0.04 0.50 0.42 0.40 0.02 0.00 0.00 177.57 178.95 1x31 h ILE 532 N 0.49 1.26 -0.42 4.57 2.04 -0.99 0.43 117.51 124.88 1x31 h ILE 532 Ca 0.03 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1x31 h ILE 532 Cb 0.97 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1x31 h ILE 532 CO 0.09 0.30 0.04 0.00 0.00 0.00 0.00 178.15 178.58 1x31 h ALA 533 N 1.22 0.56 -0.07 1.87 0.00 -1.24 -0.01 119.26 121.59 1x31 h ALA 533 Ca 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x31 h ALA 533 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x31 h ALA 533 CO -0.04 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.55 1x31 h ALA 534 N 0.92 0.09 -0.52 0.00 0.00 -1.00 0.30 119.26 119.05 1x31 h ALA 534 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1x31 h ALA 534 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1x31 h ALA 534 CO 0.01 -0.33 0.08 0.28 0.00 0.00 0.00 179.25 179.29 1x31 h VAL 535 N -0.03 1.23 -0.29 0.00 2.07 -0.85 -2.78 116.25 115.61 1x31 h VAL 535 Ca 0.02 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1x31 h VAL 535 Cb 0.14 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1x31 h VAL 535 CO -0.00 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.09 1x31 n LEU 536 N -4.25 2.31 -2.84 2.57 4.77 -0.03 -4.94 117.00 114.59 1x31 n LEU 536 Ca 0.03 -1.02 -0.20 0.00 -0.03 0.00 0.00 56.01 54.79 1x31 n LEU 536 Cb 0.25 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1x31 n LEU 536 CO 0.40 0.51 0.05 0.61 -1.33 0.00 0.00 177.39 177.64 1x31 n GLY 537 N 1.25 -0.39 3.86 -0.72 0.00 -0.44 -4.99 105.19 103.76 1x31 n GLY 537 Ca 0.17 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1x31 n GLY 537 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x31 s ILE 538 N -3.16 5.48 -0.11 -0.61 1.01 0.94 -5.03 121.20 119.73 1x31 s ILE 538 Ca 0.33 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.03 1x31 s ILE 538 Cb -0.15 -3.42 -0.27 0.00 0.01 0.00 0.00 42.46 38.63 1x31 s ILE 538 CO 0.41 0.59 0.62 -0.33 0.00 0.00 0.00 174.94 176.24 1x31 h GLU 539 N 5.19 0.20 -4.60 2.79 4.39 -1.94 -3.40 114.58 117.21 1x31 h GLU 539 Ca -0.53 -0.35 -0.71 0.00 0.34 0.00 0.00 59.36 58.11 1x31 h GLU 539 Cb 1.22 0.13 -0.20 0.00 -0.10 0.00 0.00 28.75 29.80 1x31 h GLU 539 CO 0.60 1.17 -0.30 1.21 -1.16 0.00 0.00 179.01 180.53 1x31 s ASN 540 N -6.91 6.15 0.59 1.42 3.04 -1.26 -4.93 114.94 113.03 1x31 s ASN 540 Ca -0.19 -0.93 0.29 0.00 0.04 0.00 0.00 52.86 52.06 1x31 s ASN 540 Cb 0.03 -2.19 1.52 0.00 -1.54 0.00 0.00 41.25 39.06 1x31 s ASN 540 CO 0.75 -0.57 1.95 -0.65 -3.04 0.00 0.00 177.10 175.54 1x31 h PRO 541 N 8.72 0.00 0.00 0.43 0.11 -1.94 0.55 132.00 139.87 1x31 h PRO 541 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1x31 h PRO 541 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1x31 h PRO 541 CO 0.80 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.54 1x31 h ALA 542 N 1.54 1.10 -0.07 -0.75 0.00 -1.94 -0.43 119.26 118.72 1x31 h ALA 542 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1x31 h ALA 542 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1x31 h ALA 542 CO -0.00 0.06 -0.43 1.96 0.00 0.00 0.00 179.25 180.84 1x31 h GLN 543 N 0.00 0.15 0.11 0.00 4.20 -0.29 -3.11 115.11 116.17 1x31 h GLN 543 Ca -0.00 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.47 1x31 h GLN 543 Cb 0.31 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.10 1x31 h GLN 543 CO 0.01 0.56 -0.77 0.82 -0.67 0.00 0.00 178.83 178.77 1x31 h ILE 544 N 0.13 1.49 -0.34 2.54 2.04 -1.22 -3.51 117.51 118.64 1x31 h ILE 544 Ca 0.01 -2.49 0.04 0.00 1.00 0.00 0.00 64.86 63.43 1x31 h ILE 544 Cb 0.82 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1x31 h ILE 544 CO 0.06 0.69 -0.06 0.61 0.00 0.00 0.00 178.15 179.46 1x31 n GLY 545 N 1.66 -1.35 3.82 5.37 0.00 -0.47 -4.69 105.19 109.52 1x31 n GLY 545 Ca -0.15 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1x31 n GLY 545 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x31 s THR 546 N -1.16 2.48 0.62 2.61 -4.23 -1.26 -4.96 115.64 109.74 1x31 s THR 546 Ca 0.00 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 58.98 1x31 s THR 546 Cb 0.00 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.91 1x31 s THR 546 CO 0.00 0.00 0.90 0.42 -0.54 0.00 0.00 174.62 175.40 1x31 s THR 547 N -2.54 2.70 0.40 3.99 -4.23 -1.26 -4.99 115.64 109.72 1x31 s THR 547 Ca 0.45 -0.38 -0.26 0.00 -1.18 0.00 0.00 61.69 60.31 1x31 s THR 547 Cb -0.00 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 70.66 1x31 s THR 547 CO 0.25 -0.08 1.36 -0.89 -0.54 0.00 0.00 174.62 174.73 1x31 s THR 548 N -3.00 2.40 -0.22 3.99 2.01 -1.26 -5.00 115.64 114.56 1x31 s THR 548 Ca 0.58 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 1x31 s THR 548 Cb -0.11 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1x31 s THR 548 CO 0.42 0.06 0.24 -0.36 -0.69 0.00 0.00 174.62 174.30 1x31 s PHE 549 N -1.21 3.35 0.12 4.92 0.08 -1.26 -5.08 117.98 118.89 1x31 s PHE 549 Ca 0.56 0.38 0.07 0.00 0.12 0.00 0.00 56.93 58.07 1x31 s PHE 549 Cb -0.41 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 1x31 s PHE 549 CO 0.54 0.06 -0.18 1.03 -0.10 0.00 0.00 175.22 176.57 1x31 s ARG 550 N 1.07 1.10 0.47 0.44 1.81 -1.26 -4.41 118.95 118.18 1x31 s ARG 550 Ca 0.12 -1.21 -0.21 0.00 -1.72 0.00 0.00 55.73 52.71 1x31 s ARG 550 Cb -0.14 -1.22 -0.09 0.00 -0.45 0.00 0.00 34.95 33.06 1x31 s ARG 550 CO 0.05 0.26 1.02 0.00 -0.68 0.00 0.00 175.30 175.96 1x31 s ALA 551 N -1.57 2.91 0.33 2.13 0.00 -1.26 -4.35 121.76 119.96 1x31 s ALA 551 Ca 0.08 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 1x31 s ALA 551 Cb -0.08 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1x31 s ALA 551 CO 0.04 -0.23 0.70 -1.25 0.00 0.00 0.00 175.76 175.03 1x31 s PRO 552 N -3.19 3.86 0.19 0.00 0.04 -1.26 -5.09 135.00 129.55 1x31 s PRO 552 Ca 0.66 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1x31 s PRO 552 Cb -0.15 -2.47 0.15 0.00 0.04 0.00 0.00 34.50 32.07 1x31 s PRO 552 CO 0.19 0.12 1.79 -0.92 0.04 0.00 0.00 177.00 178.23 1x31 h TYR 553 N 1.92 0.53 -3.95 0.56 3.20 -1.51 -3.42 116.97 114.29 1x31 h TYR 553 Ca -0.47 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.19 1x31 h TYR 553 Cb 1.18 -0.16 -0.19 0.00 1.54 0.00 0.00 36.73 39.10 1x31 h TYR 553 CO 0.61 0.26 -0.71 0.95 -1.64 0.00 0.00 178.16 177.63 1x31 s THR 554 N -6.13 0.50 0.47 1.81 -4.23 -1.26 -4.99 115.64 101.81 1x31 s THR 554 Ca -0.13 -1.38 -0.23 0.00 -1.18 0.00 0.00 61.69 58.78 1x31 s THR 554 Cb 0.14 -0.97 -0.09 0.00 1.34 0.00 0.00 72.50 72.92 1x31 s THR 554 CO 0.74 -0.60 0.98 -2.65 -0.54 0.00 0.00 174.62 172.55 1x31 n PRO 555 N 0.91 1.22 -4.34 3.99 -0.02 -1.26 -4.97 135.00 130.52 1x31 n PRO 555 Ca -0.19 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1x31 n PRO 555 Cb 0.57 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.82 1x31 n PRO 555 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x31 s VAL 556 N -1.36 0.77 0.50 -1.45 1.01 -1.26 -5.13 120.40 113.48 1x31 s VAL 556 Ca 0.66 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 1x31 s VAL 556 Cb -0.51 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1x31 s VAL 556 CO 0.54 0.27 1.32 -0.94 0.00 0.00 0.00 175.10 176.29 1x31 s SER 557 N 0.70 5.65 0.17 3.32 1.04 -1.26 -4.93 113.70 118.40 1x31 s SER 557 Ca -0.11 2.67 -0.14 0.00 0.48 0.00 0.00 55.95 58.85 1x31 s SER 557 Cb -0.14 -2.63 0.14 0.00 0.10 0.00 0.00 66.02 63.49 1x31 s SER 557 CO 0.01 -1.30 1.73 -0.26 0.98 0.00 0.00 173.24 174.40 1x31 h PHE 558 N 1.83 0.19 -0.90 5.02 -1.00 -2.00 -2.74 116.94 117.32 1x31 h PHE 558 Ca -0.50 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.32 1x31 h PHE 558 Cb 1.28 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.77 1x31 h PHE 558 CO 0.49 0.03 0.59 0.00 -1.61 0.00 0.00 178.31 177.81 1x31 h ALA 559 N 1.33 1.17 -0.64 2.45 0.00 -1.99 -1.40 119.26 120.17 1x31 h ALA 559 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1x31 h ALA 559 Cb 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1x31 h ALA 559 CO -0.26 0.49 0.32 0.00 0.00 0.00 0.00 179.25 179.80 1x31 h ALA 560 N 1.35 0.83 0.00 0.00 0.00 -1.87 -1.91 119.26 117.67 1x31 h ALA 560 Ca 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1x31 h ALA 560 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1x31 h ALA 560 CO -0.10 0.38 -0.28 -0.07 0.00 0.00 0.00 179.25 179.19 1x31 h LEU 561 N 0.88 0.00 -0.66 0.00 3.38 -1.18 -2.19 115.31 115.55 1x31 h LEU 561 Ca 0.22 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1x31 h LEU 561 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1x31 h LEU 561 CO -0.03 0.28 -0.66 0.00 0.09 0.00 0.00 178.44 178.12 1x31 h ALA 562 N 1.72 0.88 -0.93 1.53 0.00 -0.65 -3.48 119.26 118.33 1x31 h ALA 562 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x31 h ALA 562 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x31 h ALA 562 CO 0.04 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1x31 n GLY 563 N 0.37 3.17 1.32 0.00 0.00 -0.77 -2.57 105.19 106.70 1x31 n GLY 563 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1x31 n GLY 563 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x31 n ARG 564 N 13.85 2.92 -2.11 1.61 5.12 -1.11 -4.56 116.66 132.38 1x31 n ARG 564 Ca 0.00 -2.45 -0.42 0.00 -1.93 0.00 0.00 57.85 53.05 1x31 n ARG 564 Cb 0.00 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.65 1x31 n ARG 564 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1x31 n THR 565 N 1.24 4.25 -4.32 0.55 -1.04 -1.06 -4.80 114.28 109.10 1x31 n THR 565 Ca 0.22 -4.00 -0.16 0.00 -2.04 0.00 0.00 64.05 58.07 1x31 n THR 565 Cb 0.66 -2.39 -0.10 0.00 -1.82 0.00 0.00 70.33 66.68 1x31 n THR 565 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x31 s ARG 566 N 0.91 1.37 6.54 -2.82 1.81 -1.26 -4.50 118.95 121.00 1x31 s ARG 566 Ca 0.44 -1.73 0.00 0.00 -1.72 0.00 0.00 55.73 52.73 1x31 s ARG 566 Cb 0.12 -0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.26 1x31 s ARG 566 CO -0.03 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 174.77 1x31 n GLY 567 N -0.44 3.34 0.06 -3.53 0.00 -1.26 -1.32 105.19 102.05 1x31 n GLY 567 Ca -0.02 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1x31 n GLY 567 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x31 n GLU 568 N 14.00 0.14 -0.12 1.61 -0.58 -1.26 -2.81 120.64 131.62 1x31 n GLU 568 Ca 0.00 0.17 0.08 0.00 -0.42 0.00 0.00 57.16 56.99 1x31 n GLU 568 Cb 0.00 -1.69 0.26 0.00 -0.57 0.00 0.00 31.44 29.44 1x31 n GLU 568 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1x31 n LEU 569 N -1.94 1.64 -0.17 -4.62 4.77 -0.43 -3.99 117.00 112.25 1x31 n LEU 569 Ca 0.05 -0.77 -0.04 0.00 -0.03 0.00 0.00 56.01 55.23 1x31 n LEU 569 Cb 0.35 -0.16 0.16 0.00 -2.33 0.00 0.00 43.42 41.44 1x31 n LEU 569 CO 0.26 0.38 1.00 0.25 -1.33 0.00 0.00 177.39 177.96 1x31 h LEU 570 N 1.96 0.87 -7.19 2.23 5.85 -1.42 -3.38 115.31 114.22 1x31 h LEU 570 Ca 0.00 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1x31 h LEU 570 Cb 0.44 -0.23 -0.23 0.00 0.37 0.00 0.00 40.66 41.01 1x31 h LEU 570 CO 0.00 0.82 -0.12 -0.62 -0.34 0.00 0.00 178.44 178.18 1x31 s ASP 571 N -6.52 -0.57 0.27 1.25 3.68 -1.26 -4.90 116.67 108.63 1x31 s ASP 571 Ca -0.10 1.06 -0.29 0.00 2.13 0.00 0.00 52.55 55.35 1x31 s ASP 571 Cb 0.16 1.06 -0.14 0.00 -1.45 0.00 0.00 42.92 42.54 1x31 s ASP 571 CO 0.81 -0.19 1.13 -2.65 0.13 0.00 0.00 175.17 174.40 1x31 n PRO 572 N 3.03 1.52 -3.72 4.34 -0.02 -1.26 -4.97 135.00 133.91 1x31 n PRO 572 Ca -0.15 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.49 1x31 n PRO 572 Cb 0.56 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 1x31 n PRO 572 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x31 s ALA 573 N -0.77 3.17 -0.09 3.55 0.00 -1.26 -4.73 121.76 121.63 1x31 s ALA 573 Ca 0.62 -2.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 1x31 s ALA 573 Cb -0.70 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1x31 s ALA 573 CO 0.57 -1.68 0.98 1.03 0.00 0.00 0.00 175.76 176.67 1x31 s ARG 574 N 1.27 4.44 -0.06 0.00 0.52 0.28 -4.90 118.95 120.51 1x31 s ARG 574 Ca 0.04 1.36 0.04 0.00 -0.52 0.00 0.00 55.73 56.65 1x31 s ARG 574 Cb -0.23 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 1x31 s ARG 574 CO -0.01 -0.25 -0.16 -0.51 0.02 0.00 0.00 175.30 174.38 1x31 s LEU 575 N 1.78 2.62 0.84 2.53 1.43 -1.26 -0.71 118.68 125.91 1x31 s LEU 575 Ca 0.48 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1x31 s LEU 575 Cb -0.19 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 44.63 1x31 s LEU 575 CO 0.20 0.31 1.18 0.42 0.23 0.00 0.00 176.35 178.68 1x31 s THR 576 N -0.51 2.07 0.41 5.49 -4.23 -1.26 -4.95 115.64 112.66 1x31 s THR 576 Ca 0.07 -0.12 0.29 0.00 -1.18 0.00 0.00 61.69 60.74 1x31 s THR 576 Cb -0.12 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.08 1x31 s THR 576 CO 0.01 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.17 1x31 h ALA 577 N -1.13 1.25 -0.47 3.99 0.00 -1.97 -2.56 119.26 118.38 1x31 h ALA 577 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1x31 h ALA 577 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x31 h ALA 577 CO 0.51 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1x31 n MET 578 N -3.58 2.45 -0.24 0.00 -0.00 -1.26 -4.14 117.12 110.34 1x31 n MET 578 Ca -0.02 -2.21 0.05 0.00 -0.00 0.00 0.00 57.70 55.52 1x31 n MET 578 Cb 0.23 -1.51 0.17 0.00 -0.00 0.00 0.00 33.22 32.12 1x31 n MET 578 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1x31 h HIS 579 N 4.04 0.31 -0.60 3.17 6.17 -1.82 -1.84 115.15 124.59 1x31 h HIS 579 Ca 0.00 0.04 0.09 0.00 0.71 0.00 0.00 60.37 61.21 1x31 h HIS 579 Cb 0.90 -0.03 -0.07 0.00 2.52 0.00 0.00 27.41 30.73 1x31 h HIS 579 CO 0.31 -0.04 0.21 -1.35 0.71 0.00 0.00 177.93 177.77 1x31 h PRO 580 N 0.30 0.37 -0.68 5.26 0.11 -1.84 0.20 132.00 135.74 1x31 h PRO 580 Ca 0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.48 1x31 h PRO 580 Cb 0.65 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 1x31 h PRO 580 CO -0.47 0.25 0.41 2.35 -0.21 0.00 0.00 178.00 180.33 1x31 h TRP 581 N 0.39 0.88 -1.01 0.65 7.01 -1.69 -0.46 115.95 121.72 1x31 h TRP 581 Ca 0.30 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.32 1x31 h TRP 581 Cb 0.38 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.09 1x31 h TRP 581 CO -0.18 0.59 0.67 0.45 -2.79 0.00 0.00 178.44 177.18 1x31 h HIS 582 N 0.92 1.26 0.40 2.65 3.86 -0.71 -1.25 115.15 122.29 1x31 h HIS 582 Ca 0.24 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1x31 h HIS 582 Cb -0.04 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 28.01 1x31 h HIS 582 CO -0.02 0.79 -0.19 -0.07 0.86 0.00 0.00 177.93 179.29 1x31 h LEU 583 N 1.35 -0.46 -0.52 2.43 3.38 -0.41 -2.39 115.31 118.70 1x31 h LEU 583 Ca 0.37 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1x31 h LEU 583 Cb -0.14 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1x31 h LEU 583 CO -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.32 1x31 n ALA 584 N -2.50 1.08 -1.57 1.53 0.00 -0.24 -2.27 120.51 116.55 1x31 n ALA 584 Ca -0.10 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1x31 n ALA 584 Cb 0.28 -1.14 0.16 0.00 0.00 0.00 0.00 19.45 18.76 1x31 n ALA 584 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x31 n HIS 585 N -1.79 1.39 -3.87 0.00 8.25 -0.49 -4.98 115.22 113.73 1x31 n HIS 585 Ca -0.00 -1.81 -0.31 0.00 -0.26 0.00 0.00 57.72 55.34 1x31 n HIS 585 Cb 0.03 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.63 1x31 n HIS 585 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x31 n GLY 586 N -1.04 -0.48 3.79 -1.41 0.00 -0.96 -4.89 105.19 100.19 1x31 n GLY 586 Ca 0.36 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 1x31 n GLY 586 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 s ALA 587 N -3.20 3.15 -0.27 4.61 0.00 -0.92 -4.12 121.76 121.01 1x31 s ALA 587 Ca 0.63 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 1x31 s ALA 587 Cb -0.33 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1x31 s ALA 587 CO 0.77 0.05 0.16 0.15 0.00 0.00 0.00 175.76 176.90 1x31 s LYS 588 N -2.35 3.92 0.46 0.00 -0.14 -0.43 -4.91 119.74 116.28 1x31 s LYS 588 Ca 0.54 -0.34 -0.01 0.00 -1.36 0.00 0.00 55.97 54.80 1x31 s LYS 588 Cb -0.18 -3.58 -0.01 0.00 -1.68 0.00 0.00 37.83 32.38 1x31 s LYS 588 CO 0.23 -0.14 0.69 -0.06 -0.76 0.00 0.00 175.35 175.32 1x31 s PHE 589 N 1.61 3.30 0.06 3.18 0.08 -1.26 0.43 117.98 125.37 1x31 s PHE 589 Ca 0.07 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.50 1x31 s PHE 589 Cb -0.15 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1x31 s PHE 589 CO 0.09 -0.34 -0.08 -1.83 -0.10 0.00 0.00 175.22 172.95 1x31 s GLU 590 N -4.60 0.62 -0.38 0.44 -1.05 -0.11 -4.70 118.70 108.92 1x31 s GLU 590 Ca 0.48 -0.89 -0.22 0.00 -0.15 0.00 0.00 54.97 54.19 1x31 s GLU 590 Cb -0.10 -0.33 0.01 0.00 -0.44 0.00 0.00 34.13 33.27 1x31 s GLU 590 CO 0.39 0.05 0.73 -0.51 0.95 0.00 0.00 175.26 176.87 1x31 s ASP 591 N -1.88 6.48 -0.47 0.83 1.01 -1.26 -2.35 116.67 119.03 1x31 s ASP 591 Ca -0.05 0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.37 1x31 s ASP 591 Cb -0.07 -2.37 0.12 0.00 1.01 0.00 0.00 42.92 41.62 1x31 s ASP 591 CO -0.00 -0.71 0.26 -0.69 0.21 0.00 0.00 175.17 174.24 1x31 s VAL 592 N 2.98 3.32 0.00 -1.27 1.01 -0.57 -4.96 120.40 120.91 1x31 s VAL 592 Ca 0.28 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1x31 s VAL 592 Cb -0.13 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1x31 s VAL 592 CO 0.17 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1x31 n GLY 593 N 4.21 2.71 1.18 4.51 0.00 -1.26 -0.88 105.19 115.66 1x31 n GLY 593 Ca 0.01 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1x31 n GLY 593 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x31 n GLN 594 N 13.27 2.54 -3.16 1.61 6.02 -1.26 -4.96 117.38 131.43 1x31 n GLN 594 Ca 0.00 -2.33 -0.35 0.00 -0.01 0.00 0.00 57.00 54.31 1x31 n GLN 594 Cb 0.00 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 1x31 n GLN 594 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1x31 s TRP 595 N -1.45 3.58 -0.40 1.08 0.52 -0.06 0.10 118.94 122.31 1x31 s TRP 595 Ca 0.40 1.28 -0.12 0.00 0.02 0.00 0.00 56.10 57.68 1x31 s TRP 595 Cb 0.23 -2.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1x31 s TRP 595 CO 0.32 0.31 0.26 0.15 0.02 0.00 0.00 176.95 178.00 1x31 s LYS 596 N -2.18 2.86 0.05 4.98 -0.14 0.12 -1.50 119.74 123.92 1x31 s LYS 596 Ca 0.44 -1.11 0.09 0.00 -1.36 0.00 0.00 55.97 54.03 1x31 s LYS 596 Cb -0.15 -3.85 -0.03 0.00 -1.68 0.00 0.00 37.83 32.12 1x31 s LYS 596 CO 0.20 -0.76 -0.26 1.03 -0.76 0.00 0.00 175.35 174.80 1x31 s ARG 597 N 1.59 1.72 0.13 1.68 0.52 -0.99 -4.64 118.95 118.96 1x31 s ARG 597 Ca 0.03 -1.10 -0.31 0.00 -0.52 0.00 0.00 55.73 53.83 1x31 s ARG 597 Cb -0.20 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 1x31 s ARG 597 CO 0.07 0.49 1.65 -2.14 0.02 0.00 0.00 175.30 175.39 1x31 s PRO 598 N -1.27 4.19 -0.12 3.54 0.02 -1.26 -0.94 135.00 139.16 1x31 s PRO 598 Ca 0.11 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.55 1x31 s PRO 598 Cb -0.10 -3.35 -0.24 0.00 0.02 0.00 0.00 34.50 30.83 1x31 s PRO 598 CO 0.02 -0.70 0.36 1.87 -0.33 0.00 0.00 177.00 178.23 1x31 n TRP 599 N 4.74 0.98 -3.63 6.54 -0.00 0.17 -1.20 117.44 125.05 1x31 n TRP 599 Ca 0.15 0.25 -0.03 0.00 -0.00 0.00 0.00 57.50 57.87 1x31 n TRP 599 Cb 0.39 -1.14 -0.03 0.00 -0.00 0.00 0.00 31.31 30.52 1x31 n TRP 599 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 1x31 s TYR 600 N -2.56 -0.09 -0.61 5.87 -0.85 -1.13 -1.96 117.35 116.03 1x31 s TYR 600 Ca -0.18 0.11 -0.02 0.00 -0.52 0.00 0.00 57.07 56.45 1x31 s TYR 600 Cb 0.07 0.50 0.16 0.00 0.38 0.00 0.00 41.96 43.06 1x31 s TYR 600 CO 0.77 -0.10 0.41 0.71 -1.52 0.00 0.00 175.55 175.82 1x31 s TYR 601 N -1.56 3.40 0.54 -3.49 1.51 -1.26 -1.32 117.35 115.17 1x31 s TYR 601 Ca 0.09 -2.74 -0.18 0.00 -1.01 0.00 0.00 57.07 53.23 1x31 s TYR 601 Cb -0.01 -3.17 -0.06 0.00 -0.11 0.00 0.00 41.96 38.61 1x31 s TYR 601 CO -0.05 -0.84 1.04 -1.25 -1.11 0.00 0.00 175.55 173.34 1x31 s PRO 602 N -0.02 3.59 -0.12 -1.71 0.04 -1.26 -4.96 135.00 130.56 1x31 s PRO 602 Ca 0.16 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 1x31 s PRO 602 Cb -0.21 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1x31 s PRO 602 CO -0.03 -0.59 0.29 1.14 0.04 0.00 0.00 177.00 177.85 1x31 s GLN 603 N -3.71 0.29 -0.70 4.56 -2.07 -1.26 -4.90 119.66 111.86 1x31 s GLN 603 Ca 0.65 0.53 -0.01 0.00 -1.82 0.00 0.00 55.36 54.71 1x31 s GLN 603 Cb -0.15 0.01 -0.01 0.00 -1.09 0.00 0.00 33.01 31.76 1x31 s GLN 603 CO 0.29 -0.11 0.59 -0.25 -1.32 0.00 0.00 175.29 174.49 1x31 n ASP 604 N 3.73 -2.63 -1.44 12.60 8.00 -1.26 -3.11 116.55 132.44 1x31 n ASP 604 Ca -0.20 -0.39 -0.18 0.00 0.71 0.00 0.00 54.79 54.73 1x31 n ASP 604 Cb 0.55 -3.30 -0.07 0.00 -0.02 0.00 0.00 41.12 38.28 1x31 n ASP 604 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x31 n GLY 605 N -1.13 1.59 3.74 0.44 0.00 -1.26 -4.94 105.19 103.63 1x31 n GLY 605 Ca -0.15 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1x31 n GLY 605 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x31 s GLU 606 N -3.64 4.36 0.68 1.61 2.12 -1.18 -5.03 118.70 117.62 1x31 s GLU 606 Ca 0.00 2.12 -0.11 0.00 0.36 0.00 0.00 54.97 57.34 1x31 s GLU 606 Cb 0.00 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 1x31 s GLU 606 CO 0.00 -0.27 1.07 -1.54 -0.54 0.00 0.00 175.26 173.98 1x31 s SER 607 N 0.22 5.72 0.18 -1.70 1.04 -1.26 -4.66 113.70 113.24 1x31 s SER 607 Ca 0.56 1.24 -0.13 0.00 0.48 0.00 0.00 55.95 58.10 1x31 s SER 607 Cb -0.38 -2.13 0.16 0.00 0.10 0.00 0.00 66.02 63.77 1x31 s SER 607 CO 0.41 -1.18 1.74 -0.03 0.98 0.00 0.00 173.24 175.17 1x31 h MET 608 N -0.54 0.31 -0.48 4.02 4.05 -1.98 0.11 114.93 120.41 1x31 h MET 608 Ca -0.45 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.01 1x31 h MET 608 Cb 1.23 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.91 1x31 h MET 608 CO 0.63 0.20 0.21 -0.44 0.23 0.00 0.00 176.91 177.75 1x31 h ASP 609 N 0.32 0.28 -0.56 1.39 3.45 -1.99 0.17 116.42 119.48 1x31 h ASP 609 Ca 0.23 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.67 1x31 h ASP 609 Cb 0.26 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 1x31 h ASP 609 CO -0.25 0.20 0.13 -0.33 -1.57 0.00 0.00 179.24 177.42 1x31 h GLU 610 N 0.42 0.90 -0.10 3.56 5.08 -1.76 0.35 114.58 123.04 1x31 h GLU 610 Ca 0.22 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x31 h GLU 610 Cb 0.17 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x31 h GLU 610 CO -0.18 0.84 0.04 0.00 -1.00 0.00 0.00 179.01 178.71 1x31 h ALA 611 N 1.02 0.12 -0.52 3.43 0.00 -0.26 -1.86 119.26 121.20 1x31 h ALA 611 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1x31 h ALA 611 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1x31 h ALA 611 CO 0.00 -0.31 0.15 0.28 0.00 0.00 0.00 179.25 179.37 1x31 h VAL 612 N 0.02 1.24 -0.32 0.00 2.07 -0.55 -0.92 116.25 117.80 1x31 h VAL 612 Ca 0.03 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1x31 h VAL 612 Cb 0.13 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1x31 h VAL 612 CO -0.00 0.30 0.05 0.22 0.02 0.00 0.00 177.57 178.15 1x31 h TYR 613 N 0.71 0.08 -0.49 1.57 3.20 -0.84 -1.74 116.97 119.46 1x31 h TYR 613 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1x31 h TYR 613 Cb 0.30 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1x31 h TYR 613 CO 0.02 0.00 0.24 -0.09 -1.64 0.00 0.00 178.16 176.69 1x31 h ARG 614 N 0.16 0.70 0.15 1.82 2.43 -1.14 -2.32 114.38 116.18 1x31 h ARG 614 Ca 0.15 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1x31 h ARG 614 Cb 0.17 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1x31 h ARG 614 CO -0.21 0.59 -0.07 0.93 -1.51 0.00 0.00 179.97 179.70 1x31 h GLU 615 N 0.64 -0.20 0.00 0.20 5.08 -0.72 0.12 114.58 119.70 1x31 h GLU 615 Ca 0.17 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1x31 h GLU 615 Cb 0.12 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1x31 h GLU 615 CO -0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 179.01 177.79 1x31 h LYS 617 N 0.00 0.13 -0.80 0.00 3.64 -1.07 -3.21 116.57 115.25 1x31 h LYS 617 Ca -0.00 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1x31 h LYS 617 Cb 0.53 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1x31 h LYS 617 CO 0.01 0.80 0.52 0.00 -2.27 0.00 0.00 179.45 178.51 1x31 h ALA 618 N 0.34 1.05 -0.73 5.00 0.00 -0.31 -1.59 119.26 123.02 1x31 h ALA 618 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1x31 h ALA 618 Cb 0.83 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1x31 h ALA 618 CO 0.03 0.36 0.28 -0.39 0.00 0.00 0.00 179.25 179.52 1x31 h VAL 619 N 1.02 1.25 0.00 0.00 -1.51 -1.36 1.00 116.25 116.66 1x31 h VAL 619 Ca 0.31 -0.81 -0.14 0.00 -1.23 0.00 0.00 66.70 64.83 1x31 h VAL 619 Cb -0.02 0.42 -0.02 0.00 -2.13 0.00 0.00 31.29 29.54 1x31 h VAL 619 CO -0.10 0.33 -0.66 0.03 -1.23 0.00 0.00 177.57 175.93 1x31 h ARG 620 N 1.05 0.00 0.05 5.19 3.08 -1.52 -3.32 114.38 118.90 1x31 h ARG 620 Ca 0.24 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.13 1x31 h ARG 620 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1x31 h ARG 620 CO -0.02 0.66 -0.65 -0.44 -1.07 0.00 0.00 179.97 178.46 1x31 h ASP 621 N 0.00 0.49 0.00 7.04 3.32 -1.06 -3.42 116.42 122.80 1x31 h ASP 621 Ca -0.01 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1x31 h ASP 621 Cb 1.43 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1x31 h ASP 621 CO 0.09 1.26 0.00 -0.24 -1.72 0.00 0.00 179.24 178.63 1x31 n SER 622 N -4.21 0.00 -3.57 6.45 2.88 0.33 -4.84 113.62 110.67 1x31 n SER 622 Ca -0.11 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.28 1x31 n SER 622 Cb 0.71 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 1x31 n SER 622 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x31 s VAL 623 N 0.00 0.00 0.11 2.46 0.11 -1.09 -1.72 120.40 120.27 1x31 s VAL 623 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1x31 s VAL 623 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1x31 s VAL 623 CO 0.00 0.00 -0.00 -0.83 -3.33 0.00 0.00 175.10 170.94 1x31 s GLY 624 N -0.78 0.86 0.01 6.54 0.00 0.81 -1.34 107.32 113.42 1x31 s GLY 624 Ca -0.05 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.31 1x31 s GLY 624 CO 0.04 -1.41 -0.14 -3.16 0.00 0.00 0.00 173.10 168.43 1x31 s MET 625 N -3.94 1.08 0.01 2.90 0.23 -1.03 -1.14 119.30 117.41 1x31 s MET 625 Ca 0.17 -0.61 0.03 0.00 -1.03 0.00 0.00 55.69 54.26 1x31 s MET 625 Cb 0.07 -1.06 -0.01 0.00 -1.53 0.00 0.00 34.83 32.29 1x31 s MET 625 CO -0.02 0.28 -0.10 -1.17 -2.03 0.00 0.00 175.02 171.98 1x31 s LEU 626 N -0.64 2.09 -0.61 0.18 2.96 -0.48 -0.80 118.68 121.38 1x31 s LEU 626 Ca 0.04 -0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.47 1x31 s LEU 626 Cb -0.06 -0.44 0.09 0.00 0.50 0.00 0.00 46.19 46.28 1x31 s LEU 626 CO 0.00 0.05 0.76 -0.62 -1.32 0.00 0.00 176.35 175.22 1x31 s ASP 627 N -0.62 6.18 -0.35 3.68 2.15 -1.26 -0.97 116.67 125.47 1x31 s ASP 627 Ca 0.01 -1.32 0.07 0.00 0.43 0.00 0.00 52.55 51.75 1x31 s ASP 627 Cb -0.05 -2.33 0.61 0.00 -0.30 0.00 0.00 42.92 40.84 1x31 s ASP 627 CO 0.00 -1.19 1.69 0.00 -0.17 0.00 0.00 175.17 175.51 1x31 n ALA 628 N 6.66 4.81 0.28 3.66 0.00 -0.24 -4.64 120.51 131.03 1x31 n ALA 628 Ca -0.08 -2.89 0.11 0.00 0.00 0.00 0.00 53.44 50.57 1x31 n ALA 628 Cb 0.43 -1.09 0.51 0.00 0.00 0.00 0.00 19.45 19.30 1x31 n ALA 628 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x31 n SER 629 N -0.97 0.58 -0.10 0.00 7.64 -1.16 -2.56 113.62 117.05 1x31 n SER 629 Ca 0.45 0.70 0.14 0.00 1.01 0.00 0.00 58.87 61.17 1x31 n SER 629 Cb 1.34 -0.80 0.66 0.00 -1.01 0.00 0.00 64.21 64.40 1x31 n SER 629 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x31 n THR 630 N -2.20 0.00 -1.90 0.44 -2.24 -1.26 -4.71 114.28 102.41 1x31 n THR 630 Ca 0.00 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1x31 n THR 630 Cb 0.13 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1x31 n THR 630 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x31 s LEU 631 N -2.42 4.16 0.22 3.22 1.43 -1.06 -4.38 118.68 119.85 1x31 s LEU 631 Ca 0.31 2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.94 1x31 s LEU 631 Cb 0.20 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 1x31 s LEU 631 CO 0.46 -1.04 1.10 -0.83 0.23 0.00 0.00 176.35 176.27 1x31 s GLY 632 N -0.58 2.92 -0.05 -3.19 0.00 -1.08 -4.79 107.32 100.54 1x31 s GLY 632 Ca 0.59 0.85 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1x31 s GLY 632 CO 0.54 1.60 -0.03 0.54 0.00 0.00 0.00 173.10 175.74 1x31 s LYS 633 N -0.80 0.79 -0.13 2.90 1.02 -1.26 0.39 119.74 122.65 1x31 s LYS 633 Ca 0.47 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1x31 s LYS 633 Cb -0.31 -0.89 0.02 0.00 -0.52 0.00 0.00 37.83 36.14 1x31 s LYS 633 CO 0.37 -0.14 -0.12 0.42 -0.92 0.00 0.00 175.35 174.96 1x31 s ILE 634 N 1.20 1.35 -0.19 2.17 1.01 0.09 -0.46 121.20 126.37 1x31 s ILE 634 Ca -0.07 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 1x31 s ILE 634 Cb -0.14 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1x31 s ILE 634 CO -0.02 0.42 0.71 -0.70 0.00 0.00 0.00 174.94 175.35 1x31 s GLU 635 N 1.48 4.24 -0.12 2.79 2.56 0.81 -0.58 118.70 129.88 1x31 s GLU 635 Ca 0.03 0.77 0.03 0.00 0.00 0.00 0.00 54.97 55.79 1x31 s GLU 635 Cb -0.13 -3.58 0.01 0.00 2.00 0.00 0.00 34.13 32.43 1x31 s GLU 635 CO -0.08 -0.28 -0.21 0.42 -0.56 0.00 0.00 175.26 174.55 1x31 s ILE 636 N 2.03 1.90 -0.02 -3.70 1.01 0.17 -1.24 121.20 121.35 1x31 s ILE 636 Ca 0.32 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1x31 s ILE 636 Cb -0.16 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.64 1x31 s ILE 636 CO 0.11 0.52 -0.03 -0.60 0.00 0.00 0.00 174.94 174.94 1x31 s ARG 637 N 0.72 0.43 0.00 2.79 3.52 -0.14 -0.26 118.95 126.00 1x31 s ARG 637 Ca -0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1x31 s ARG 637 Cb -0.16 -0.48 0.00 0.00 -1.56 0.00 0.00 34.95 32.75 1x31 s ARG 637 CO 0.01 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 1x31 n GLY 638 N 3.55 2.96 0.22 8.12 0.00 -0.19 -0.43 105.19 119.43 1x31 n GLY 638 Ca -0.20 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.10 1x31 n GLY 638 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x31 h LYS 639 N 0.00 0.00 -0.66 1.61 1.57 -1.77 -2.20 116.57 115.12 1x31 h LYS 639 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x31 h LYS 639 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x31 h LYS 639 CO 0.00 0.22 0.00 -0.25 -0.57 0.00 0.00 179.45 178.85 1x31 n ASP 640 N -4.10 4.89 0.10 0.86 8.00 -0.91 -4.59 116.55 120.81 1x31 n ASP 640 Ca -0.02 -2.49 -0.12 0.00 0.71 0.00 0.00 54.79 52.86 1x31 n ASP 640 Cb 0.29 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 1x31 n ASP 640 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x31 h ALA 641 N 4.17 -0.38 -0.61 2.24 0.00 -1.53 0.21 119.26 123.35 1x31 h ALA 641 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1x31 h ALA 641 Cb 1.51 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1x31 h ALA 641 CO 0.26 -0.76 0.25 0.00 0.00 0.00 0.00 179.25 179.00 1x31 h ALA 642 N 0.35 0.79 -0.74 0.00 0.00 -1.82 -1.03 119.26 116.81 1x31 h ALA 642 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1x31 h ALA 642 Cb 0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1x31 h ALA 642 CO -0.15 0.39 0.49 1.49 0.00 0.00 0.00 179.25 181.47 1x31 h GLU 643 N 0.84 0.98 -0.42 0.00 4.57 -1.79 -1.88 114.58 116.88 1x31 h GLU 643 Ca 0.20 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1x31 h GLU 643 Cb 0.18 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1x31 h GLU 643 CO -0.02 0.65 0.16 0.35 -1.18 0.00 0.00 179.01 178.97 1x31 h PHE 644 N 1.01 0.65 -0.42 0.92 3.57 -0.22 -2.53 116.94 119.92 1x31 h PHE 644 Ca 0.27 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1x31 h PHE 644 Cb -0.11 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1x31 h PHE 644 CO -0.02 0.57 0.28 -0.07 -2.23 0.00 0.00 178.31 176.84 1x31 h LEU 645 N 0.54 0.41 -1.50 0.59 4.07 -0.78 -0.44 115.31 118.19 1x31 h LEU 645 Ca 0.14 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 1x31 h LEU 645 Cb 0.21 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1x31 h LEU 645 CO -0.01 0.28 -0.24 0.78 -1.08 0.00 0.00 178.44 178.17 1x31 h ASN 646 N 0.48 0.00 0.67 -0.43 4.21 -0.92 0.08 115.58 119.67 1x31 h ASN 646 Ca 0.17 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.41 1x31 h ASN 646 Cb 0.09 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 1x31 h ASN 646 CO -0.04 0.24 -1.38 0.03 -1.29 0.00 0.00 177.43 174.99 1x31 h ARG 647 N 0.00 0.09 0.06 0.81 3.08 -0.96 -3.38 114.38 114.08 1x31 h ARG 647 Ca -0.00 -0.15 -0.30 0.00 0.07 0.00 0.00 59.98 59.60 1x31 h ARG 647 Cb 0.53 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1x31 h ARG 647 CO 0.03 0.90 -1.60 0.52 -1.07 0.00 0.00 179.97 178.75 1x31 h MET 648 N 0.02 0.13 -6.27 0.04 2.86 -1.11 0.06 114.93 110.67 1x31 h MET 648 Ca -0.17 -0.23 -0.50 0.00 -2.06 0.00 0.00 59.70 56.74 1x31 h MET 648 Cb 1.92 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 1x31 h MET 648 CO 0.13 0.89 -0.33 0.71 1.06 0.00 0.00 176.91 179.37 1x31 s TYR 649 N -2.61 3.48 0.06 -0.22 2.02 -0.00 -4.22 117.35 115.84 1x31 s TYR 649 Ca -0.08 0.24 0.18 0.00 -0.37 0.00 0.00 57.07 57.04 1x31 s TYR 649 Cb 0.08 -1.78 0.50 0.00 -0.40 0.00 0.00 41.96 40.36 1x31 s TYR 649 CO 0.83 0.34 1.65 1.79 -1.57 0.00 0.00 175.55 178.59 1x31 h THR 650 N 1.27 0.84 -2.03 -0.71 1.35 -1.57 -3.45 112.91 108.61 1x31 h THR 650 Ca -0.49 -1.72 -0.52 0.00 -0.55 0.00 0.00 66.41 63.13 1x31 h THR 650 Cb 1.21 2.08 -0.06 0.00 -1.73 0.00 0.00 68.15 69.65 1x31 h THR 650 CO 0.65 0.40 -0.53 0.54 -0.25 0.00 0.00 175.52 176.33 1x31 s ASN 651 N -6.41 5.10 0.44 5.36 4.22 -0.98 -0.25 114.94 122.42 1x31 s ASN 651 Ca 0.01 -0.51 -0.23 0.00 -2.14 0.00 0.00 52.86 50.00 1x31 s ASN 651 Cb 0.10 -1.03 -0.08 0.00 1.28 0.00 0.00 41.25 41.51 1x31 s ASN 651 CO 0.70 -0.18 1.06 -0.83 -2.04 0.00 0.00 177.10 175.81 1x31 s GLY 652 N -3.86 2.67 0.00 0.45 0.00 -1.26 -4.70 107.32 100.62 1x31 s GLY 652 Ca 0.36 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1x31 s GLY 652 CO 0.24 1.10 0.12 -1.72 0.00 0.00 0.00 173.10 172.85 1x31 n TYR 653 N -0.45 0.00 0.14 1.90 4.01 -1.26 -4.81 117.16 116.69 1x31 n TYR 653 Ca 0.07 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1x31 n TYR 653 Cb 0.50 -0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.71 1x31 n TYR 653 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1x31 h THR 654 N 0.80 1.26 0.00 -0.72 1.35 -1.94 -3.17 112.91 110.49 1x31 h THR 654 Ca 0.00 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1x31 h THR 654 Cb 0.40 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1x31 h THR 654 CO 0.00 0.57 -0.59 0.11 -0.25 0.00 0.00 175.52 175.36 1x31 h LYS 655 N 0.00 0.00 -6.43 4.72 1.79 -1.98 -3.47 116.57 111.20 1x31 h LYS 655 Ca -0.01 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1x31 h LYS 655 Cb 1.14 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.84 1x31 h LYS 655 CO 0.08 0.00 0.77 -0.11 -1.08 0.00 0.00 179.45 179.11 1x31 n LEU 656 N -2.19 2.85 -4.79 2.94 7.94 -1.20 -4.94 117.00 117.60 1x31 n LEU 656 Ca 0.03 1.08 -0.37 0.00 -1.11 0.00 0.00 56.01 55.64 1x31 n LEU 656 Cb 0.45 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1x31 n LEU 656 CO 0.36 -0.40 0.55 -0.54 -1.11 0.00 0.00 177.39 176.24 1x31 s LYS 657 N 1.29 4.45 0.35 1.96 1.02 -1.26 -5.01 119.74 122.54 1x31 s LYS 657 Ca 0.82 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 57.66 1x31 s LYS 657 Cb -0.74 -2.87 -0.11 0.00 -0.52 0.00 0.00 37.83 33.59 1x31 s LYS 657 CO 0.42 0.35 1.52 0.28 -0.92 0.00 0.00 175.35 177.00 1x31 n VAL 658 N 0.71 1.70 -0.31 3.17 0.31 -1.26 -1.78 118.33 120.85 1x31 n VAL 658 Ca -0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1x31 n VAL 658 Cb 0.50 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1x31 n VAL 658 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x31 n GLY 659 N 0.99 0.79 3.31 2.92 0.00 -0.59 -5.04 105.19 107.56 1x31 n GLY 659 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1x31 n GLY 659 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x31 s MET 660 N -0.69 1.22 0.42 1.61 1.00 -0.74 -2.01 119.30 120.12 1x31 s MET 660 Ca 0.00 -1.53 0.06 0.00 0.00 0.00 0.00 55.69 54.22 1x31 s MET 660 Cb 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 34.83 33.84 1x31 s MET 660 CO 0.00 0.14 0.01 0.20 0.00 0.00 0.00 175.02 175.38 1x31 s GLY 661 N -3.25 2.55 -0.28 -0.03 0.00 0.11 -1.82 107.32 104.60 1x31 s GLY 661 Ca 0.20 -1.99 -0.17 0.00 0.00 0.00 0.00 44.72 42.76 1x31 s GLY 661 CO 0.04 -2.09 0.71 -1.60 0.00 0.00 0.00 173.10 170.17 1x31 s ARG 662 N -3.75 0.71 0.24 2.90 3.52 -0.87 -4.89 118.95 116.81 1x31 s ARG 662 Ca 0.31 1.17 -0.30 0.00 -0.13 0.00 0.00 55.73 56.78 1x31 s ARG 662 Cb 0.09 0.17 -0.09 0.00 -1.56 0.00 0.00 34.95 33.56 1x31 s ARG 662 CO 0.16 -0.14 1.06 -0.47 -0.81 0.00 0.00 175.30 175.09 1x31 s TYR 663 N 1.47 3.69 0.12 5.12 5.04 -1.26 -1.47 117.35 130.06 1x31 s TYR 663 Ca -0.09 1.73 -0.07 0.00 -2.44 0.00 0.00 57.07 56.21 1x31 s TYR 663 Cb -0.05 -3.20 -0.01 0.00 0.35 0.00 0.00 41.96 39.05 1x31 s TYR 663 CO -0.17 -0.29 0.18 0.20 -1.34 0.00 0.00 175.55 174.13 1x31 s GLY 664 N -0.74 0.41 -0.04 8.97 0.00 0.36 -4.97 107.32 111.30 1x31 s GLY 664 Ca 0.45 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1x31 s GLY 664 CO 0.37 -0.95 -0.14 0.14 0.00 0.00 0.00 173.10 172.51 1x31 s VAL 665 N -3.94 1.22 -0.09 1.40 1.01 -1.26 -1.67 120.40 117.07 1x31 s VAL 665 Ca 0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1x31 s VAL 665 Cb 0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1x31 s VAL 665 CO -0.05 0.36 -0.02 -0.04 0.00 0.00 0.00 175.10 175.35 1x31 s MET 666 N 0.13 3.04 0.21 2.72 -1.94 0.47 -1.71 119.30 122.21 1x31 s MET 666 Ca -0.04 -0.45 0.10 0.00 -1.71 0.00 0.00 55.69 53.59 1x31 s MET 666 Cb -0.11 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1x31 s MET 666 CO 0.02 0.63 -0.21 0.00 -0.01 0.00 0.00 175.02 175.45 1x31 s LYS 668 N -3.01 1.72 0.66 0.00 -0.14 -0.98 -4.70 119.74 113.28 1x31 s LYS 668 Ca 0.22 -0.27 0.35 0.00 -1.36 0.00 0.00 55.97 54.91 1x31 s LYS 668 Cb -0.06 -2.05 1.93 0.00 -1.68 0.00 0.00 37.83 35.97 1x31 s LYS 668 CO 0.10 -1.63 2.10 0.00 -0.76 0.00 0.00 175.35 175.16 1x31 h ALA 669 N -0.96 1.26 -0.00 5.17 0.00 -1.92 0.10 119.26 122.91 1x31 h ALA 669 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1x31 h ALA 669 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1x31 h ALA 669 CO 0.55 -0.22 -0.01 -0.40 0.00 0.00 0.00 179.25 179.17 1x31 n ASP 670 N -3.04 0.15 0.00 0.00 5.75 -1.26 -4.13 116.55 114.02 1x31 n ASP 670 Ca -0.02 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 1x31 n ASP 670 Cb 0.27 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1x31 n ASP 670 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x31 n GLY 671 N 1.09 0.83 3.81 6.12 0.00 0.02 -4.80 105.19 112.27 1x31 n GLY 671 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1x31 n GLY 671 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x31 s MET 672 N -0.24 4.22 0.03 1.61 -1.94 -1.26 -4.42 119.30 117.31 1x31 s MET 672 Ca 0.00 0.77 -0.33 0.00 -1.71 0.00 0.00 55.69 54.42 1x31 s MET 672 Cb 0.00 -3.17 -0.12 0.00 2.01 0.00 0.00 34.83 33.55 1x31 s MET 672 CO 0.00 0.59 1.79 -0.89 -0.01 0.00 0.00 175.02 176.50 1x31 n ILE 673 N 1.49 0.39 -0.11 2.53 5.41 -0.37 -2.33 119.36 126.37 1x31 n ILE 673 Ca -0.08 -0.07 -0.22 0.00 1.00 0.00 0.00 62.75 63.38 1x31 n ILE 673 Cb 0.51 -1.85 -0.07 0.00 -0.71 0.00 0.00 39.64 37.52 1x31 n ILE 673 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1x31 n PHE 674 N 5.60 0.00 -3.93 1.39 7.35 0.11 -4.73 117.46 123.25 1x31 n PHE 674 Ca 0.20 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.78 1x31 n PHE 674 Cb 0.31 -0.77 -0.01 0.00 0.35 0.00 0.00 39.48 39.37 1x31 n PHE 674 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1x31 s ASP 675 N -6.90 0.28 0.24 -2.13 2.15 -1.00 -4.99 116.67 104.31 1x31 s ASP 675 Ca -0.31 -1.19 -0.22 0.00 0.43 0.00 0.00 52.55 51.26 1x31 s ASP 675 Cb 0.11 0.75 0.05 0.00 -0.30 0.00 0.00 42.92 43.53 1x31 s ASP 675 CO 0.40 -1.47 0.89 1.51 -0.17 0.00 0.00 175.17 176.33 1x31 s ASP 676 N -3.11 -0.12 0.00 -0.34 -4.77 -1.26 -0.39 116.67 106.67 1x31 s ASP 676 Ca 0.21 -0.65 0.00 0.00 -3.30 0.00 0.00 52.55 48.81 1x31 s ASP 676 Cb -0.03 0.62 0.00 0.00 -1.09 0.00 0.00 42.92 42.42 1x31 s ASP 676 CO 0.14 -1.18 0.00 0.61 0.70 0.00 0.00 175.17 175.44 1x31 n GLY 677 N -0.53 -0.62 3.68 2.12 0.00 -0.67 -3.94 105.19 105.23 1x31 n GLY 677 Ca -0.05 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 1x31 n GLY 677 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x31 s VAL 678 N -2.28 4.59 -0.16 1.61 1.01 -1.24 -0.49 120.40 123.45 1x31 s VAL 678 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1x31 s VAL 678 Cb 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 1x31 s VAL 678 CO 0.00 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 1x31 s THR 679 N -0.44 2.63 0.01 3.92 2.01 -0.54 -1.34 115.64 121.89 1x31 s THR 679 Ca 0.09 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.23 1x31 s THR 679 Cb -0.12 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1x31 s THR 679 CO 0.02 0.51 0.30 -0.76 -0.69 0.00 0.00 174.62 174.01 1x31 s LEU 680 N 0.86 4.38 -0.54 4.42 1.43 -0.11 -2.05 118.68 127.07 1x31 s LEU 680 Ca -0.05 0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 1x31 s LEU 680 Cb -0.15 -2.66 0.13 0.00 0.03 0.00 0.00 46.19 43.54 1x31 s LEU 680 CO -0.01 0.26 0.47 -0.60 0.23 0.00 0.00 176.35 176.71 1x31 s ARG 681 N -1.61 2.88 0.40 1.70 3.52 -0.76 -0.62 118.95 124.46 1x31 s ARG 681 Ca 0.27 -1.78 0.22 0.00 -0.13 0.00 0.00 55.73 54.31 1x31 s ARG 681 Cb -0.14 -4.20 0.58 0.00 -1.56 0.00 0.00 34.95 29.63 1x31 s ARG 681 CO 0.15 -1.29 1.68 -0.07 -0.81 0.00 0.00 175.30 174.96 1x31 h LEU 682 N 8.69 0.00 -8.00 -0.88 3.38 -1.37 -1.58 115.31 115.56 1x31 h LEU 682 Ca -0.25 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.82 1x31 h LEU 682 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1x31 h LEU 682 CO 0.97 0.25 0.49 0.00 0.09 0.00 0.00 178.44 180.24 1x31 s ALA 683 N -3.35 -1.30 0.39 1.53 0.00 -0.88 -4.80 121.76 113.35 1x31 s ALA 683 Ca 0.03 -0.53 0.14 0.00 0.00 0.00 0.00 51.96 51.60 1x31 s ALA 683 Cb 0.08 0.74 0.84 0.00 0.00 0.00 0.00 23.12 24.78 1x31 s ALA 683 CO 0.67 -1.04 1.89 1.49 0.00 0.00 0.00 175.76 178.77 1x31 h GLU 684 N 2.00 0.00 -0.00 0.00 4.81 -1.98 -3.04 114.58 116.37 1x31 h GLU 684 Ca -0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1x31 h GLU 684 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1x31 h GLU 684 CO 0.39 0.30 -0.22 -0.25 -0.73 0.00 0.00 179.01 178.50 1x31 n ASP 685 N -4.15 2.07 -3.76 1.04 10.43 -1.26 -4.72 116.55 116.21 1x31 n ASP 685 Ca -0.02 -3.46 -0.18 0.00 2.57 0.00 0.00 54.79 53.71 1x31 n ASP 685 Cb 0.35 -0.48 -0.17 0.00 1.84 0.00 0.00 41.12 42.67 1x31 n ASP 685 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1x31 s ARG 686 N -3.04 0.11 0.11 -1.24 0.52 -1.15 -1.02 118.95 113.24 1x31 s ARG 686 Ca 0.35 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.80 1x31 s ARG 686 Cb 0.32 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 1x31 s ARG 686 CO -0.01 -0.22 -0.10 -0.06 0.02 0.00 0.00 175.30 174.93 1x31 s PHE 687 N 1.45 1.12 -0.24 -0.53 0.08 0.64 -0.94 117.98 119.56 1x31 s PHE 687 Ca -0.04 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 1x31 s PHE 687 Cb -0.13 -0.60 0.07 0.00 -0.57 0.00 0.00 43.02 41.79 1x31 s PHE 687 CO -0.03 0.02 0.02 -1.17 -0.10 0.00 0.00 175.22 173.96 1x31 s LEU 688 N -2.68 1.99 -0.01 -0.37 2.96 0.21 -0.66 118.68 120.13 1x31 s LEU 688 Ca 0.09 -1.15 -0.22 0.00 -0.22 0.00 0.00 54.13 52.63 1x31 s LEU 688 Cb -0.01 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 1x31 s LEU 688 CO -0.00 -0.31 0.65 -0.04 -1.32 0.00 0.00 176.35 175.33 1x31 s MET 689 N 1.62 4.38 -0.16 1.98 -1.94 0.25 -0.94 119.30 124.49 1x31 s MET 689 Ca -0.00 0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 54.77 1x31 s MET 689 Cb -0.18 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.27 1x31 s MET 689 CO -0.11 0.29 -0.05 -1.01 -0.01 0.00 0.00 175.02 174.13 1x31 s HIS 690 N 0.02 2.98 0.49 -0.03 3.76 -0.45 -0.73 115.29 121.33 1x31 s HIS 690 Ca 0.34 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1x31 s HIS 690 Cb -0.19 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1x31 s HIS 690 CO 0.18 -0.12 0.01 0.25 -0.85 0.00 0.00 174.74 174.22 1x31 n THR 691 N 3.67 0.00 -1.22 1.30 -2.24 0.16 -3.60 114.28 112.35 1x31 n THR 691 Ca -0.18 -2.29 -0.30 0.00 -2.27 0.00 0.00 64.05 59.01 1x31 n THR 691 Cb 0.52 0.44 0.12 0.00 -2.10 0.00 0.00 70.33 69.31 1x31 n THR 691 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x31 s THR 692 N -2.75 2.98 0.12 4.28 -4.23 -1.25 -2.64 115.64 112.15 1x31 s THR 692 Ca 0.01 0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.67 1x31 s THR 692 Cb -0.00 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 1x31 s THR 692 CO 0.01 -0.42 1.64 0.74 -0.54 0.00 0.00 174.62 176.05 1x31 h THR 693 N -1.35 1.20 -1.32 3.99 2.02 -1.92 -3.01 112.91 112.53 1x31 h THR 693 Ca -0.46 -0.66 -0.58 0.00 0.77 0.00 0.00 66.41 65.48 1x31 h THR 693 Cb 1.26 0.98 -0.21 0.00 -1.74 0.00 0.00 68.15 68.44 1x31 h THR 693 CO 0.53 0.23 0.64 0.61 0.37 0.00 0.00 175.52 177.89 1x31 n GLY 694 N -0.66 4.80 0.00 2.16 0.00 -1.26 -4.14 105.19 106.08 1x31 n GLY 694 Ca -0.01 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1x31 n GLY 694 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 695 N 0.27 1.00 0.46 -0.02 0.00 -1.14 -4.95 105.19 100.81 1x31 n GLY 695 Ca 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 1x31 n GLY 695 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 h ALA 696 N 0.00 -0.98 -0.53 4.61 0.00 -1.70 0.37 119.26 121.03 1x31 h ALA 696 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1x31 h ALA 696 Cb 0.19 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1x31 h ALA 696 CO 0.00 -1.10 0.11 0.00 0.00 0.00 0.00 179.25 178.26 1x31 h ALA 697 N -0.58 0.60 -0.66 0.00 0.00 -1.92 0.76 119.26 117.46 1x31 h ALA 697 Ca -0.03 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1x31 h ALA 697 Cb 0.79 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1x31 h ALA 697 CO -0.14 -0.30 0.21 -0.44 0.00 0.00 0.00 179.25 178.58 1x31 h ASP 698 N 0.25 0.96 -0.54 0.00 3.32 -1.85 -1.29 116.42 117.28 1x31 h ASP 698 Ca 0.27 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1x31 h ASP 698 Cb 0.36 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1x31 h ASP 698 CO -0.34 0.91 0.15 0.58 -1.72 0.00 0.00 179.24 178.82 1x31 h VAL 699 N 0.95 1.24 -0.57 -1.35 2.07 0.53 -0.65 116.25 118.48 1x31 h VAL 699 Ca 0.21 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1x31 h VAL 699 Cb 0.29 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1x31 h VAL 699 CO -0.01 0.30 0.19 0.25 0.02 0.00 0.00 177.57 178.32 1x31 h LEU 700 N 0.74 0.82 -1.03 2.57 5.85 -0.65 -0.96 115.31 122.65 1x31 h LEU 700 Ca 0.17 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1x31 h LEU 700 Cb 0.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1x31 h LEU 700 CO -0.00 0.80 0.12 0.44 -0.34 0.00 0.00 178.44 179.46 1x31 h ASP 701 N 0.79 0.77 -0.03 1.25 3.32 -1.04 0.57 116.42 122.06 1x31 h ASP 701 Ca 0.18 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1x31 h ASP 701 Cb 0.27 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1x31 h ASP 701 CO -0.01 0.76 0.01 -0.25 -1.72 0.00 0.00 179.24 178.03 1x31 h TRP 702 N 0.79 0.04 -0.33 4.55 2.91 -0.72 0.89 115.95 124.08 1x31 h TRP 702 Ca 0.17 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 1x31 h TRP 702 Cb 0.30 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 1x31 h TRP 702 CO 0.02 0.20 0.18 -0.07 -1.03 0.00 0.00 178.44 177.73 1x31 h LEU 703 N -0.13 0.42 -1.52 0.65 3.38 -0.93 -2.58 115.31 114.59 1x31 h LEU 703 Ca 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1x31 h LEU 703 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1x31 h LEU 703 CO -0.00 0.39 -0.04 -0.08 0.09 0.00 0.00 178.44 178.80 1x31 h GLU 704 N 0.41 0.26 -0.10 1.13 4.57 -0.76 -1.55 114.58 118.54 1x31 h GLU 704 Ca 0.12 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1x31 h GLU 704 Cb 0.07 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1x31 h GLU 704 CO -0.02 0.32 -0.08 1.49 -1.18 0.00 0.00 179.01 179.54 1x31 h GLU 705 N 0.25 0.24 -0.77 1.92 4.81 -0.45 -1.22 114.58 119.36 1x31 h GLU 705 Ca 0.06 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1x31 h GLU 705 Cb 0.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1x31 h GLU 705 CO 0.01 0.63 0.26 -1.49 -0.73 0.00 0.00 179.01 177.69 1x31 h TRP 706 N -0.15 1.22 -0.44 0.92 4.06 -1.25 0.23 115.95 120.54 1x31 h TRP 706 Ca 0.02 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.79 1x31 h TRP 706 Cb 0.58 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 1x31 h TRP 706 CO 0.08 0.94 0.01 -0.07 -3.56 0.00 0.00 178.44 175.84 1x31 h LEU 707 N 1.14 0.75 0.15 -4.49 3.38 -1.28 0.15 115.31 115.10 1x31 h LEU 707 Ca 0.25 -0.30 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 1x31 h LEU 707 Cb 0.28 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.86 1x31 h LEU 707 CO -0.01 0.87 -1.31 1.56 0.09 0.00 0.00 178.44 179.64 1x31 h GLN 708 N 0.61 0.54 0.00 1.13 4.20 -1.01 -1.18 115.11 119.40 1x31 h GLN 708 Ca 0.13 -0.80 0.00 0.00 0.06 0.00 0.00 58.65 58.04 1x31 h GLN 708 Cb 0.48 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1x31 h GLN 708 CO 0.02 1.37 -0.97 0.25 -0.67 0.00 0.00 178.83 178.83 1x31 n THR 709 N -3.73 0.00 0.00 -0.54 -2.24 0.78 -4.56 114.28 103.98 1x31 n THR 709 Ca -0.14 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1x31 n THR 709 Cb 1.02 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1x31 n THR 709 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x31 n GLU 710 N -1.52 0.00 -2.96 -0.78 -0.58 -0.49 -4.91 120.64 109.40 1x31 n GLU 710 Ca 0.02 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.52 1x31 n GLU 710 Cb 0.30 -0.65 -0.03 0.00 -0.57 0.00 0.00 31.44 30.48 1x31 n GLU 710 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1x31 n TRP 711 N -2.80 3.00 0.19 -0.32 8.01 0.40 -4.89 117.44 121.02 1x31 n TRP 711 Ca 0.00 -3.86 0.06 0.00 -1.31 0.00 0.00 57.50 52.39 1x31 n TRP 711 Cb 0.48 -0.44 0.28 0.00 -2.01 0.00 0.00 31.31 29.62 1x31 n TRP 711 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1x31 n PRO 712 N -0.13 0.06 0.10 -0.99 -0.04 -0.45 -2.12 135.00 131.43 1x31 n PRO 712 Ca 0.30 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 1x31 n PRO 712 Cb 0.49 -1.67 0.25 0.00 -0.04 0.00 0.00 33.50 32.53 1x31 n PRO 712 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1x31 h GLU 713 N 0.00 0.00 -6.69 0.54 9.09 -1.90 -3.46 114.58 112.16 1x31 h GLU 713 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 1x31 h GLU 713 Cb 0.09 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.21 1x31 h GLU 713 CO 0.00 0.00 0.55 -0.51 0.05 0.00 0.00 179.01 179.10 1x31 s LEU 714 N -4.61 4.46 -0.99 3.06 1.43 -0.90 -4.95 118.68 116.19 1x31 s LEU 714 Ca 0.08 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.23 1x31 s LEU 714 Cb 0.12 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.81 1x31 s LEU 714 CO 0.67 -0.35 1.32 -0.62 0.23 0.00 0.00 176.35 177.60 1x31 s ASP 715 N -0.02 6.57 -0.07 2.29 2.15 -1.26 -4.92 116.67 121.40 1x31 s ASP 715 Ca 0.52 -1.75 -0.03 0.00 0.43 0.00 0.00 52.55 51.72 1x31 s ASP 715 Cb -0.33 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 39.84 1x31 s ASP 715 CO 0.38 -1.30 0.15 -0.69 -0.17 0.00 0.00 175.17 173.54 1x31 s VAL 716 N 3.93 -0.09 -0.07 1.11 1.01 -1.26 -2.13 120.40 122.90 1x31 s VAL 716 Ca 0.40 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1x31 s VAL 716 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1x31 s VAL 716 CO -0.09 0.09 -0.18 -0.89 0.00 0.00 0.00 175.10 174.03 1x31 s THR 717 N 1.37 1.55 0.14 3.92 2.01 0.43 -4.98 115.64 120.08 1x31 s THR 717 Ca -0.07 -0.74 0.11 0.00 0.31 0.00 0.00 61.69 61.30 1x31 s THR 717 Cb -0.12 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1x31 s THR 717 CO -0.06 0.45 -0.24 0.00 -0.69 0.00 0.00 174.62 174.08 1x31 s THR 719 N -1.21 -0.02 0.11 0.00 2.01 -0.38 -4.99 115.64 111.17 1x31 s THR 719 Ca 0.16 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1x31 s THR 719 Cb -0.10 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.69 1x31 s THR 719 CO 0.08 0.02 1.09 -0.55 -0.69 0.00 0.00 174.62 174.57 1x31 s SER 720 N 1.09 7.27 -0.04 3.53 0.15 -1.26 -0.14 113.70 124.30 1x31 s SER 720 Ca -0.07 1.96 0.05 0.00 0.70 0.00 0.00 55.95 58.59 1x31 s SER 720 Cb -0.06 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.74 1x31 s SER 720 CO -0.10 -0.27 0.94 1.33 1.20 0.00 0.00 173.24 176.34 1x31 n VAL 721 N 3.09 0.72 -0.05 4.45 0.24 0.39 -4.87 118.33 122.30 1x31 n VAL 721 Ca 0.05 -0.82 -0.11 0.00 -2.04 0.00 0.00 64.34 61.41 1x31 n VAL 721 Cb 0.47 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.19 1x31 n VAL 721 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1x31 h THR 722 N 2.88 0.14 0.00 3.34 2.02 -1.82 -1.45 112.91 118.03 1x31 h THR 722 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x31 h THR 722 Cb 1.04 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1x31 h THR 722 CO 0.00 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.56 1x31 h GLU 723 N -0.42 0.00 0.00 6.66 4.39 -1.90 -3.15 114.58 120.15 1x31 h GLU 723 Ca 0.10 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 1x31 h GLU 723 Cb 0.60 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1x31 h GLU 723 CO -0.46 0.00 -0.76 0.37 -1.16 0.00 0.00 179.01 177.00 1x31 h GLN 724 N 0.00 0.00 -5.31 2.33 5.75 -1.63 -3.42 115.11 112.83 1x31 h GLN 724 Ca 0.00 0.00 -0.66 0.00 -0.15 0.00 0.00 58.65 57.84 1x31 h GLN 724 Cb 0.54 0.00 -0.29 0.00 1.07 0.00 0.00 27.48 28.80 1x31 h GLN 724 CO 0.00 0.76 -0.80 -0.51 -2.65 0.00 0.00 178.83 175.63 1x31 s LEU 725 N -6.95 2.52 0.41 -2.39 1.43 -0.99 -0.21 118.68 112.51 1x31 s LEU 725 Ca 0.01 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1x31 s LEU 725 Cb 0.10 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1x31 s LEU 725 CO 0.78 0.16 0.61 0.00 0.23 0.00 0.00 176.35 178.13 1x31 s ALA 726 N 0.39 3.86 -0.16 4.21 0.00 0.37 -4.71 121.76 125.73 1x31 s ALA 726 Ca -0.13 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 1x31 s ALA 726 Cb -0.16 -2.03 0.06 0.00 0.00 0.00 0.00 23.12 20.99 1x31 s ALA 726 CO 0.06 -0.26 0.37 0.99 0.00 0.00 0.00 175.76 176.92 1x31 s THR 727 N -2.44 -0.03 -0.18 0.00 2.01 -1.26 -2.56 115.64 111.18 1x31 s THR 727 Ca 0.47 0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 1x31 s THR 727 Cb -0.10 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1x31 s THR 727 CO 0.36 0.04 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 1x31 s VAL 728 N 1.37 2.41 -0.26 3.82 1.01 -0.68 -1.08 120.40 126.99 1x31 s VAL 728 Ca -0.10 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1x31 s VAL 728 Cb -0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1x31 s VAL 728 CO -0.12 0.51 0.28 0.00 0.00 0.00 0.00 175.10 175.77 1x31 s ALA 729 N 1.25 3.56 -0.42 5.51 0.00 -0.15 -0.54 121.76 130.98 1x31 s ALA 729 Ca 0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1x31 s ALA 729 Cb -0.14 -2.56 0.07 0.00 0.00 0.00 0.00 23.12 20.49 1x31 s ALA 729 CO -0.09 -0.50 0.26 0.08 0.00 0.00 0.00 175.76 175.51 1x31 s VAL 730 N 1.71 4.44 0.04 0.00 1.01 0.80 -1.39 120.40 127.00 1x31 s VAL 730 Ca 0.12 -1.23 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1x31 s VAL 730 Cb -0.15 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1x31 s VAL 730 CO 0.09 -0.45 -0.12 -0.69 0.00 0.00 0.00 175.10 173.93 1x31 s VAL 731 N 1.48 3.21 0.00 2.92 1.01 -0.29 -1.10 120.40 127.63 1x31 s VAL 731 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1x31 s VAL 731 Cb -0.22 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1x31 s VAL 731 CO 0.04 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1x31 n GLY 732 N 1.43 3.49 0.29 4.51 0.00 0.69 -0.13 105.19 115.47 1x31 n GLY 732 Ca -0.15 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.14 1x31 n GLY 732 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x31 h PRO 733 N 0.00 0.00 -0.35 1.61 0.13 -1.66 -1.46 132.00 130.27 1x31 h PRO 733 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x31 h PRO 733 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x31 h PRO 733 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 1x31 n ARG 734 N -4.05 1.99 -0.10 0.86 5.12 -0.70 -4.16 116.66 115.62 1x31 n ARG 734 Ca -0.02 -1.53 -0.03 0.00 -1.93 0.00 0.00 57.85 54.34 1x31 n ARG 734 Cb 0.13 -1.38 0.19 0.00 -1.16 0.00 0.00 32.46 30.23 1x31 n ARG 734 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1x31 h SER 735 N 2.70 0.73 -0.77 0.55 4.64 -1.46 -2.44 113.55 117.50 1x31 h SER 735 Ca 0.00 -0.15 0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1x31 h SER 735 Cb 0.61 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 1x31 h SER 735 CO 0.00 0.77 0.41 -0.09 -0.87 0.00 0.00 176.83 177.05 1x31 h ARG 736 N 0.73 0.66 -0.22 4.77 2.43 -1.78 -0.79 114.38 120.17 1x31 h ARG 736 Ca 0.15 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1x31 h ARG 736 Cb 0.38 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1x31 h ARG 736 CO 0.01 0.44 0.05 -0.44 -1.51 0.00 0.00 179.97 178.51 1x31 h ASP 737 N 0.68 0.35 -0.60 -3.80 3.32 -1.74 -1.85 116.42 112.78 1x31 h ASP 737 Ca 0.38 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.22 1x31 h ASP 737 Cb 0.40 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1x31 h ASP 737 CO -0.27 0.50 0.35 0.58 -1.72 0.00 0.00 179.24 178.68 1x31 h VAL 738 N 0.18 1.04 -0.75 -1.35 2.07 -1.07 -2.10 116.25 114.27 1x31 h VAL 738 Ca 0.07 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1x31 h VAL 738 Cb 0.29 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1x31 h VAL 738 CO 0.00 0.13 0.38 0.40 0.02 0.00 0.00 177.57 178.50 1x31 h ILE 739 N 0.69 1.23 -0.60 4.57 1.08 -1.05 -2.25 117.51 121.18 1x31 h ILE 739 Ca 0.25 -0.63 0.13 0.00 -0.39 0.00 0.00 64.86 64.22 1x31 h ILE 739 Cb 0.06 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.06 1x31 h ILE 739 CO -0.12 0.27 0.41 0.00 -0.69 0.00 0.00 178.15 178.02 1x31 h ALA 740 N 1.19 2.22 0.00 1.87 0.00 -0.65 -1.26 119.26 122.64 1x31 h ALA 740 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1x31 h ALA 740 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1x31 h ALA 740 CO -0.04 -0.37 -0.21 0.87 0.00 0.00 0.00 179.25 179.50 1x31 h LYS 741 N 0.25 0.00 0.00 0.00 1.57 -1.12 -2.96 116.57 114.30 1x31 h LYS 741 Ca 0.28 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.82 1x31 h LYS 741 Cb 0.78 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1x31 h LYS 741 CO -0.06 0.07 -1.42 -0.07 -0.57 0.00 0.00 179.45 177.40 1x31 h LEU 742 N 0.00 0.00 -6.81 2.94 4.07 -1.14 -3.40 115.31 110.96 1x31 h LEU 742 Ca -0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.35 1x31 h LEU 742 Cb 1.06 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.40 1x31 h LEU 742 CO 0.01 0.95 -0.78 0.00 -1.08 0.00 0.00 178.44 177.53 1x31 s ALA 743 N -2.67 1.97 0.22 1.53 0.00 -0.69 -1.05 121.76 121.07 1x31 s ALA 743 Ca -0.02 -2.57 -0.07 0.00 0.00 0.00 0.00 51.96 49.29 1x31 s ALA 743 Cb 0.09 -1.81 0.31 0.00 0.00 0.00 0.00 23.12 21.71 1x31 s ALA 743 CO 0.82 -2.06 1.80 0.66 0.00 0.00 0.00 175.76 176.98 1x31 h SER 744 N 6.43 0.55 -0.32 0.00 4.64 -1.75 -2.44 113.55 120.66 1x31 h SER 744 Ca 0.07 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1x31 h SER 744 Cb 0.91 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1x31 h SER 744 CO 0.45 0.33 0.00 -1.54 -0.87 0.00 0.00 176.83 175.20 1x31 n SER 745 N -4.80 2.23 -4.71 4.97 3.41 -1.26 -4.86 113.62 108.60 1x31 n SER 745 Ca 0.11 -2.13 -0.38 0.00 -0.26 0.00 0.00 58.87 56.21 1x31 n SER 745 Cb 0.23 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 1x31 n SER 745 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x31 s LEU 746 N -1.08 4.24 -0.65 1.04 1.98 -0.92 -5.02 118.68 118.27 1x31 s LEU 746 Ca 0.24 0.73 -0.27 0.00 -2.89 0.00 0.00 54.13 51.93 1x31 s LEU 746 Cb 0.14 -2.64 0.03 0.00 0.66 0.00 0.00 46.19 44.38 1x31 s LEU 746 CO 0.13 -0.03 1.18 -0.62 -1.89 0.00 0.00 176.35 175.12 1x31 s ASP 747 N 0.74 6.29 -0.06 3.68 -1.08 -1.26 -4.86 116.67 120.12 1x31 s ASP 747 Ca 0.24 -0.27 0.15 0.00 -0.52 0.00 0.00 52.55 52.15 1x31 s ASP 747 Cb -0.15 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 1x31 s ASP 747 CO 0.09 -1.60 1.43 1.33 0.52 0.00 0.00 175.17 176.94 1x31 n VAL 748 N 6.43 1.21 -1.74 1.11 0.24 -1.26 -4.33 118.33 120.00 1x31 n VAL 748 Ca 0.04 -0.86 -0.34 0.00 -2.04 0.00 0.00 64.34 61.14 1x31 n VAL 748 Cb 0.49 0.14 0.05 0.00 -1.47 0.00 0.00 33.84 33.05 1x31 n VAL 748 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x31 s SER 749 N -0.86 4.91 0.14 -1.34 1.04 -1.26 -4.76 113.70 111.56 1x31 s SER 749 Ca 0.39 2.16 -0.20 0.00 0.48 0.00 0.00 55.95 58.78 1x31 s SER 749 Cb 0.24 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1x31 s SER 749 CO 0.21 -1.77 1.68 -1.13 0.98 0.00 0.00 173.24 173.21 1x31 h ASN 750 N 0.14 -0.32 0.71 7.02 -0.00 -1.93 0.25 115.58 121.45 1x31 h ASN 750 Ca -0.48 0.08 -0.04 0.00 -0.00 0.00 0.00 56.30 55.87 1x31 h ASN 750 Cb 1.27 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.77 1x31 h ASN 750 CO 0.53 -0.12 -0.19 -2.24 -0.00 0.00 0.00 177.43 175.41 1x31 h ASP 751 N -0.06 0.00 0.84 1.15 3.04 -1.98 -2.77 116.42 116.65 1x31 h ASP 751 Ca 0.12 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.78 1x31 h ASP 751 Cb 0.24 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.51 1x31 h ASP 751 CO -0.27 0.19 -1.24 0.00 -2.04 0.00 0.00 179.24 175.88 1x31 h ALA 752 N 1.81 0.63 -2.69 4.15 0.00 -1.74 -3.41 119.26 118.02 1x31 h ALA 752 Ca -0.00 -0.66 -0.59 0.00 0.00 0.00 0.00 54.91 53.65 1x31 h ALA 752 Cb 0.59 0.20 -0.39 0.00 0.00 0.00 0.00 17.79 18.18 1x31 h ALA 752 CO 0.02 0.73 -0.82 0.12 0.00 0.00 0.00 179.25 179.30 1x31 s PHE 753 N -3.00 1.21 0.80 0.00 5.99 0.84 -4.94 117.98 118.87 1x31 s PHE 753 Ca -0.02 -1.99 -0.12 0.00 0.00 0.00 0.00 56.93 54.81 1x31 s PHE 753 Cb 0.09 -1.24 0.07 0.00 0.00 0.00 0.00 43.02 41.93 1x31 s PHE 753 CO 0.80 -0.81 1.12 0.15 -0.00 0.00 0.00 175.22 176.48 1x31 s LYS 754 N 0.67 2.10 0.36 10.12 1.02 -1.06 -4.43 119.74 128.52 1x31 s LYS 754 Ca 0.20 0.45 -0.28 0.00 0.02 0.00 0.00 55.97 56.36 1x31 s LYS 754 Cb -0.20 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.07 1x31 s LYS 754 CO -0.02 -1.57 1.51 0.34 -0.92 0.00 0.00 175.35 174.69 1x31 n PHE 755 N -3.36 2.98 -2.15 3.18 7.35 -1.26 -2.60 117.46 121.59 1x31 n PHE 755 Ca 0.07 0.41 -0.18 0.00 -0.76 0.00 0.00 57.45 56.99 1x31 n PHE 755 Cb 0.58 -2.55 -0.02 0.00 0.35 0.00 0.00 39.48 37.84 1x31 n PHE 755 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1x31 n MET 756 N 0.75 -1.41 -4.31 -4.13 2.81 -0.42 -4.96 117.12 105.46 1x31 n MET 756 Ca 0.03 0.94 -0.24 0.00 -1.81 0.00 0.00 57.70 56.62 1x31 n MET 756 Cb 0.38 -5.40 -0.08 0.00 -0.71 0.00 0.00 33.22 27.41 1x31 n MET 756 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x31 s ALA 757 N -2.85 3.20 0.06 3.04 0.00 -1.07 0.07 121.76 124.20 1x31 s ALA 757 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 1x31 s ALA 757 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1x31 s ALA 757 CO 0.00 0.11 0.09 -0.59 0.00 0.00 0.00 175.76 175.37 1x31 s PHE 758 N -2.48 0.26 -0.04 0.00 -0.12 -0.85 -0.79 117.98 113.96 1x31 s PHE 758 Ca 0.34 -0.66 -0.03 0.00 -0.05 0.00 0.00 56.93 56.54 1x31 s PHE 758 Cb -0.02 -0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.22 1x31 s PHE 758 CO 0.19 -0.42 0.11 -0.65 -0.05 0.00 0.00 175.22 174.40 1x31 s GLN 759 N -3.28 0.10 -0.50 1.99 -0.21 -0.45 -4.80 119.66 112.52 1x31 s GLN 759 Ca 0.01 0.21 -0.26 0.00 0.02 0.00 0.00 55.36 55.34 1x31 s GLN 759 Cb 0.03 -0.03 0.03 0.00 1.00 0.00 0.00 33.01 34.04 1x31 s GLN 759 CO -0.08 -0.07 0.97 -0.51 -2.12 0.00 0.00 175.29 173.48 1x31 s ASP 760 N 0.44 6.46 0.23 5.90 1.01 -1.26 -1.38 116.67 128.07 1x31 s ASP 760 Ca -0.03 0.02 0.10 0.00 0.71 0.00 0.00 52.55 53.35 1x31 s ASP 760 Cb -0.05 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 1x31 s ASP 760 CO -0.02 -1.15 -0.18 0.68 0.21 0.00 0.00 175.17 174.71 1x31 s VAL 761 N 3.96 2.12 -0.27 -1.27 -7.23 -0.00 -4.98 120.40 112.72 1x31 s VAL 761 Ca 0.37 -2.23 -0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1x31 s VAL 761 Cb -0.10 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.71 1x31 s VAL 761 CO 0.25 -0.42 0.06 -0.89 -0.31 0.00 0.00 175.10 173.79 1x31 s THR 762 N -2.49 3.96 0.71 5.32 2.01 -1.26 -0.08 115.64 123.81 1x31 s THR 762 Ca 0.24 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.58 1x31 s THR 762 Cb -0.04 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.55 1x31 s THR 762 CO 0.10 0.21 1.19 -0.76 -0.69 0.00 0.00 174.62 174.67 1x31 s LEU 763 N 1.53 3.34 0.40 4.42 1.43 -0.43 -4.85 118.68 124.51 1x31 s LEU 763 Ca 0.04 2.29 0.17 0.00 -1.03 0.00 0.00 54.13 55.60 1x31 s LEU 763 Cb -0.16 -4.58 1.05 0.00 0.03 0.00 0.00 46.19 42.53 1x31 s LEU 763 CO 0.02 -2.13 1.81 0.44 0.23 0.00 0.00 176.35 176.71 1x31 h ASP 764 N -0.21 0.47 -0.29 2.29 3.32 -1.43 0.33 116.42 120.90 1x31 h ASP 764 Ca -0.48 0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.65 1x31 h ASP 764 Cb 1.29 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1x31 h ASP 764 CO 0.51 0.15 0.20 0.77 -1.72 0.00 0.00 179.24 179.14 1x31 h SER 765 N 0.45 0.30 0.00 6.45 4.64 -1.90 -3.45 113.55 120.04 1x31 h SER 765 Ca 0.54 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1x31 h SER 765 Cb 1.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1x31 h SER 765 CO -0.25 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1x31 n GLY 766 N -1.50 1.06 3.65 -0.77 0.00 0.12 -5.10 105.19 102.64 1x31 n GLY 766 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1x31 n GLY 766 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x31 s ILE 767 N -2.00 4.57 0.33 -0.61 1.01 -1.24 -4.78 121.20 118.48 1x31 s ILE 767 Ca 0.00 1.83 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 1x31 s ILE 767 Cb 0.00 -4.38 -0.11 0.00 0.01 0.00 0.00 42.46 37.98 1x31 s ILE 767 CO 0.00 -0.38 1.39 -0.70 0.00 0.00 0.00 174.94 175.25 1x31 s GLU 768 N 3.50 4.26 0.28 2.79 2.56 -1.26 -1.31 118.70 129.52 1x31 s GLU 768 Ca 0.45 2.35 -0.12 0.00 0.00 0.00 0.00 54.97 57.65 1x31 s GLU 768 Cb -0.13 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.96 1x31 s GLU 768 CO 0.12 -0.35 0.53 0.00 -0.56 0.00 0.00 175.26 175.01 1x31 s ALA 769 N -0.92 -0.23 -0.11 6.30 0.00 0.88 -4.47 121.76 123.22 1x31 s ALA 769 Ca 0.52 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1x31 s ALA 769 Cb -0.42 1.03 0.03 0.00 0.00 0.00 0.00 23.12 23.76 1x31 s ALA 769 CO 0.54 -0.87 -0.01 0.50 0.00 0.00 0.00 175.76 175.92 1x31 s ARG 770 N -3.71 0.87 -0.25 0.00 3.52 -0.64 -0.82 118.95 117.91 1x31 s ARG 770 Ca 0.22 -0.10 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 1x31 s ARG 770 Cb -0.02 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.98 1x31 s ARG 770 CO 0.11 -0.36 0.09 0.42 -0.81 0.00 0.00 175.30 174.75 1x31 s ILE 771 N 1.87 4.51 -0.06 4.11 1.01 -0.48 -1.42 121.20 130.74 1x31 s ILE 771 Ca 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1x31 s ILE 771 Cb -0.13 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1x31 s ILE 771 CO -0.06 0.33 -0.18 -0.44 0.00 0.00 0.00 174.94 174.58 1x31 s SER 772 N 1.60 3.67 -1.28 3.58 0.01 -0.52 -1.34 113.70 119.42 1x31 s SER 772 Ca 0.06 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 1x31 s SER 772 Cb -0.15 -0.93 0.15 0.00 0.21 0.00 0.00 66.02 65.30 1x31 s SER 772 CO 0.05 0.28 1.80 0.54 0.41 0.00 0.00 173.24 176.32 1x31 n ARG 773 N 2.72 3.47 -4.33 12.44 1.74 0.03 -0.16 116.66 132.57 1x31 n ARG 773 Ca -0.17 -3.51 -0.34 0.00 -0.77 0.00 0.00 57.85 53.06 1x31 n ARG 773 Cb 0.52 -3.01 -0.12 0.00 -1.02 0.00 0.00 32.46 28.83 1x31 n ARG 773 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x31 s ILE 774 N 1.08 3.84 -0.07 0.55 1.01 -1.24 -1.30 121.20 125.07 1x31 s ILE 774 Ca 0.42 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1x31 s ILE 774 Cb 0.07 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1x31 s ILE 774 CO -0.00 0.48 -0.13 -0.55 0.00 0.00 0.00 174.94 174.74 1x31 s SER 775 N 0.55 1.86 -0.08 3.58 0.15 -1.26 -4.47 113.70 114.02 1x31 s SER 775 Ca -0.03 -0.31 0.12 0.00 0.70 0.00 0.00 55.95 56.43 1x31 s SER 775 Cb -0.14 -0.86 0.32 0.00 -1.71 0.00 0.00 66.02 63.62 1x31 s SER 775 CO 0.03 0.04 1.24 0.33 1.20 0.00 0.00 173.24 176.07 1x31 n PHE 776 N 3.82 0.44 0.00 3.44 7.35 -1.26 -4.53 117.46 126.72 1x31 n PHE 776 Ca -0.22 -0.71 0.00 0.00 -0.76 0.00 0.00 57.45 55.75 1x31 n PHE 776 Cb 0.52 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.20 1x31 n PHE 776 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1x31 n SER 777 N -0.36 3.96 0.00 -2.13 3.41 -1.26 -3.64 113.62 113.59 1x31 n SER 777 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1x31 n SER 777 Cb 0.58 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1x31 n SER 777 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x31 n GLY 778 N 2.10 3.05 3.86 5.00 0.00 -1.26 -4.69 105.19 113.25 1x31 n GLY 778 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1x31 n GLY 778 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x31 s GLU 779 N -0.45 2.02 0.30 1.61 0.41 -1.26 -3.38 118.70 117.95 1x31 s GLU 779 Ca 0.00 0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 54.56 1x31 s GLU 779 Cb 0.00 -1.94 -0.10 0.00 -1.78 0.00 0.00 34.13 30.31 1x31 s GLU 779 CO 0.00 -1.59 1.41 -1.17 -0.49 0.00 0.00 175.26 173.43 1x31 s LEU 780 N -5.64 4.38 -0.09 1.80 2.96 -1.23 -4.77 118.68 116.09 1x31 s LEU 780 Ca 0.61 2.76 -0.17 0.00 -0.22 0.00 0.00 54.13 57.12 1x31 s LEU 780 Cb -0.12 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.97 1x31 s LEU 780 CO 0.51 -0.69 0.41 0.00 -1.32 0.00 0.00 176.35 175.26 1x31 s ALA 781 N -0.59 -1.04 -0.06 5.97 0.00 -1.26 -0.22 121.76 124.56 1x31 s ALA 781 Ca 0.55 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1x31 s ALA 781 Cb -0.42 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1x31 s ALA 781 CO 0.50 -0.25 -0.07 -0.06 0.00 0.00 0.00 175.76 175.88 1x31 s PHE 782 N -0.58 1.08 -0.26 0.00 0.08 -0.26 -3.73 117.98 114.30 1x31 s PHE 782 Ca -0.07 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.53 1x31 s PHE 782 Cb -0.04 -0.87 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 1x31 s PHE 782 CO 0.03 -0.26 0.09 -1.21 -0.10 0.00 0.00 175.22 173.77 1x31 s GLU 783 N 0.95 3.57 -0.40 0.44 2.02 0.77 -0.14 118.70 125.91 1x31 s GLU 783 Ca -0.10 -0.54 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 1x31 s GLU 783 Cb -0.15 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1x31 s GLU 783 CO 0.00 -0.24 0.40 0.42 0.02 0.00 0.00 175.26 175.86 1x31 s ILE 784 N 1.61 5.13 -0.22 -1.63 1.01 0.30 -1.44 121.20 125.95 1x31 s ILE 784 Ca 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1x31 s ILE 784 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1x31 s ILE 784 CO 0.04 -0.32 0.07 0.00 0.00 0.00 0.00 174.94 174.73 1x31 s ALA 785 N 2.05 3.25 0.09 9.38 0.00 -0.51 -1.69 121.76 134.33 1x31 s ALA 785 Ca 0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1x31 s ALA 785 Cb -0.17 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1x31 s ALA 785 CO 0.13 -0.23 0.01 0.96 0.00 0.00 0.00 175.76 176.62 1x31 s ILE 786 N 1.14 0.17 0.20 0.00 -5.25 -1.06 -1.62 121.20 114.78 1x31 s ILE 786 Ca 0.04 -1.86 -0.33 0.00 -0.99 0.00 0.00 60.65 57.52 1x31 s ILE 786 Cb -0.14 -1.75 -0.14 0.00 2.95 0.00 0.00 42.46 43.37 1x31 s ILE 786 CO 0.03 -0.76 1.44 -2.65 -1.79 0.00 0.00 174.94 171.21 1x31 n PRO 787 N 0.02 1.94 -0.32 0.37 -0.02 -1.26 -0.48 135.00 135.25 1x31 n PRO 787 Ca -0.10 0.69 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 1x31 n PRO 787 Cb 0.62 -2.37 0.25 0.00 -0.02 0.00 0.00 33.50 31.98 1x31 n PRO 787 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x31 n ALA 788 N 2.40 0.43 0.82 3.55 0.00 0.71 -0.51 120.51 127.92 1x31 n ALA 788 Ca 0.14 1.00 0.07 0.00 0.00 0.00 0.00 53.44 54.65 1x31 n ALA 788 Cb 0.29 -0.71 0.39 0.00 0.00 0.00 0.00 19.45 19.42 1x31 n ALA 788 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1x31 n TRP 789 N -5.40 0.00 0.76 0.00 2.14 -1.26 -0.91 117.44 112.77 1x31 n TRP 789 Ca 0.21 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.87 1x31 n TRP 789 Cb 0.68 -0.02 0.05 0.00 -0.81 0.00 0.00 31.31 31.21 1x31 n TRP 789 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 1x31 n HIS 790 N -1.02 0.00 -0.19 -2.67 8.25 0.34 -4.66 115.22 115.28 1x31 n HIS 790 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1x31 n HIS 790 Cb 0.05 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.24 1x31 n HIS 790 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1x31 h GLY 791 N 3.62 0.58 0.83 -1.41 0.00 -1.08 -0.43 103.07 105.17 1x31 h GLY 791 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1x31 h GLY 791 CO 0.00 -0.18 0.02 -2.00 0.00 0.00 0.00 176.54 174.38 1x31 h LEU 792 N 0.10 0.32 -0.17 3.11 6.46 -1.81 -0.66 115.31 122.65 1x31 h LEU 792 Ca 0.29 -0.27 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1x31 h LEU 792 Cb 0.46 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1x31 h LEU 792 CO -0.50 0.51 -0.13 -0.61 -0.62 0.00 0.00 178.44 177.09 1x31 h GLN 793 N 0.11 -0.14 -0.50 1.25 5.75 -1.77 -0.14 115.11 119.67 1x31 h GLN 793 Ca 0.06 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1x31 h GLN 793 Cb 0.33 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1x31 h GLN 793 CO 0.01 -0.09 0.12 0.28 -2.65 0.00 0.00 178.83 176.50 1x31 h VAL 794 N -0.14 1.24 -0.72 2.39 2.07 -1.05 -1.96 116.25 118.07 1x31 h VAL 794 Ca 0.11 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1x31 h VAL 794 Cb 0.30 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1x31 h VAL 794 CO -0.26 0.31 0.45 -0.25 0.02 0.00 0.00 177.57 177.83 1x31 h TRP 795 N 0.70 0.83 -0.04 1.57 2.91 -0.71 -0.92 115.95 120.29 1x31 h TRP 795 Ca 0.16 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.10 1x31 h TRP 795 Cb 0.34 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 1x31 h TRP 795 CO 0.02 0.46 -0.47 0.93 -1.03 0.00 0.00 178.44 178.36 1x31 h GLU 796 N 0.86 0.09 -0.20 2.65 5.08 -0.87 -1.68 114.58 120.51 1x31 h GLU 796 Ca 0.29 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 1x31 h GLU 796 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x31 h GLU 796 CO -0.12 0.54 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.36 1x31 h ASP 797 N 0.08 0.82 -0.53 1.42 3.32 -0.63 -1.65 116.42 119.25 1x31 h ASP 797 Ca 0.00 -0.48 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 1x31 h ASP 797 Cb 0.86 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1x31 h ASP 797 CO 0.07 1.25 -0.06 0.58 -1.72 0.00 0.00 179.24 179.35 1x31 h VAL 798 N 0.53 1.27 -0.04 -1.35 2.07 -1.03 0.10 116.25 117.80 1x31 h VAL 798 Ca -0.01 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1x31 h VAL 798 Cb 1.23 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1x31 h VAL 798 CO 0.13 0.42 0.02 0.22 0.02 0.00 0.00 177.57 178.39 1x31 h TYR 799 N 0.85 0.05 -0.27 1.57 3.20 -1.23 -0.80 116.97 120.34 1x31 h TYR 799 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1x31 h TYR 799 Cb 0.62 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1x31 h TYR 799 CO 0.04 0.06 0.12 0.00 -1.64 0.00 0.00 178.16 176.74 1x31 h ALA 800 N 0.99 0.35 0.00 1.82 0.00 -1.18 -2.42 119.26 118.82 1x31 h ALA 800 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1x31 h ALA 800 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1x31 h ALA 800 CO -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 179.25 179.07 1x31 h ALA 801 N 0.97 1.44 -0.02 0.00 0.00 -0.63 -2.57 119.26 118.44 1x31 h ALA 801 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x31 h ALA 801 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x31 h ALA 801 CO -0.01 0.13 -0.01 0.41 0.00 0.00 0.00 179.25 179.76 1x31 n GLY 802 N -0.93 0.65 0.21 0.00 0.00 -0.32 -4.49 105.19 100.31 1x31 n GLY 802 Ca -0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1x31 n GLY 802 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x31 h GLN 803 N 3.90 0.18 0.00 1.61 1.08 -1.01 1.00 115.11 121.87 1x31 h GLN 803 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1x31 h GLN 803 Cb 0.83 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1x31 h GLN 803 CO 0.00 0.12 0.00 -0.85 -0.95 0.00 0.00 178.83 177.15 1x31 n GLU 804 N -5.16 0.00 -0.23 1.46 0.28 -1.26 -1.07 120.64 114.66 1x31 n GLU 804 Ca 0.06 0.36 0.06 0.00 -0.16 0.00 0.00 57.16 57.49 1x31 n GLU 804 Cb 0.27 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.82 1x31 n GLU 804 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x31 n PHE 805 N -1.50 0.56 -3.60 -1.84 3.72 0.21 -4.96 117.46 110.05 1x31 n PHE 805 Ca 0.02 -0.57 -0.23 0.00 -0.05 0.00 0.00 57.45 56.63 1x31 n PHE 805 Cb 0.09 -0.08 0.07 0.00 -0.94 0.00 0.00 39.48 38.63 1x31 n PHE 805 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1x31 n ASN 806 N 0.35 -4.57 -4.68 4.37 5.15 -0.23 -4.37 115.26 111.28 1x31 n ASN 806 Ca 0.14 -0.61 -0.46 0.00 -0.60 0.00 0.00 54.58 53.04 1x31 n ASN 806 Cb 0.51 -4.84 -0.04 0.00 -0.53 0.00 0.00 39.78 34.88 1x31 n ASN 806 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x31 n ILE 807 N -4.67 0.27 -3.91 -1.44 3.06 -0.40 -4.71 119.36 107.56 1x31 n ILE 807 Ca -0.09 -0.05 -0.35 0.00 -2.50 0.00 0.00 62.75 59.76 1x31 n ILE 807 Cb 0.60 -1.75 -0.14 0.00 0.54 0.00 0.00 39.64 38.89 1x31 n ILE 807 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1x31 s THR 808 N 2.35 2.96 0.48 9.51 2.01 -0.45 -4.90 115.64 127.61 1x31 s THR 808 Ca 0.84 -1.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 1x31 s THR 808 Cb -0.66 -2.73 -0.07 0.00 0.01 0.00 0.00 72.50 69.06 1x31 s THR 808 CO 0.43 -0.14 1.26 -2.16 -0.69 0.00 0.00 174.62 173.31 1x31 s PRO 809 N 1.24 3.56 0.05 4.92 0.04 -1.26 -2.47 135.00 141.08 1x31 s PRO 809 Ca -0.04 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 1x31 s PRO 809 Cb -0.20 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1x31 s PRO 809 CO -0.01 -0.78 0.03 1.52 0.04 0.00 0.00 177.00 177.79 1x31 s TYR 810 N -1.41 0.37 0.00 0.56 -0.85 0.02 -4.73 117.35 111.30 1x31 s TYR 810 Ca 0.65 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 1x31 s TYR 810 Cb -0.34 -0.27 0.00 0.00 0.38 0.00 0.00 41.96 41.73 1x31 s TYR 810 CO 0.42 -0.37 0.00 0.41 -1.52 0.00 0.00 175.55 174.48 1x31 n GLY 811 N 0.41 3.84 0.37 5.49 0.00 -1.26 -4.46 105.19 109.59 1x31 n GLY 811 Ca -0.16 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.85 1x31 n GLY 811 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x31 h THR 812 N 0.02 1.06 0.28 2.61 1.35 -1.11 -1.86 112.91 115.27 1x31 h THR 812 Ca 0.00 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1x31 h THR 812 Cb 0.00 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.28 1x31 h THR 812 CO 0.00 0.20 -0.14 -0.08 -0.25 0.00 0.00 175.52 175.26 1x31 h GLU 813 N 1.11 -0.36 -0.41 4.72 4.57 -1.67 -0.50 114.58 122.03 1x31 h GLU 813 Ca 0.43 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.62 1x31 h GLU 813 Cb 0.22 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1x31 h GLU 813 CO -0.17 -0.18 0.19 1.15 -1.18 0.00 0.00 179.01 178.81 1x31 h THR 814 N -0.47 1.15 -0.88 0.32 2.02 -1.73 -0.83 112.91 112.49 1x31 h THR 814 Ca -0.04 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1x31 h THR 814 Cb 0.35 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1x31 h THR 814 CO 0.06 0.17 0.48 -0.03 0.37 0.00 0.00 175.52 176.58 1x31 h MET 815 N 0.58 1.22 -0.12 6.66 1.85 -0.99 -1.47 114.93 122.65 1x31 h MET 815 Ca 0.15 -0.14 -0.13 0.00 -0.61 0.00 0.00 59.70 58.97 1x31 h MET 815 Cb 0.08 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.86 1x31 h MET 815 CO -0.02 0.89 -0.50 0.45 -0.40 0.00 0.00 176.91 177.33 1x31 h HIS 816 N 1.23 0.40 0.68 1.39 -0.00 0.23 -2.65 115.15 116.42 1x31 h HIS 816 Ca 0.31 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1x31 h HIS 816 Cb 0.02 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1x31 h HIS 816 CO 0.01 0.76 -0.33 0.28 -0.00 0.00 0.00 177.93 178.65 1x31 h VAL 817 N 0.26 0.00 -0.34 2.45 2.07 -0.59 -1.88 116.25 118.22 1x31 h VAL 817 Ca 0.01 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1x31 h VAL 817 Cb 0.97 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1x31 h VAL 817 CO 0.08 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.38 1x31 h LEU 818 N -1.13 -0.75 -1.52 2.57 3.38 -1.35 -1.52 115.31 114.99 1x31 h LEU 818 Ca -0.09 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1x31 h LEU 818 Cb 0.70 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1x31 h LEU 818 CO 0.15 -0.26 -0.14 -0.09 0.09 0.00 0.00 178.44 178.20 1x31 h ARG 819 N -0.18 0.13 0.00 1.13 1.12 -1.54 -2.44 114.38 112.60 1x31 h ARG 819 Ca 0.17 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.91 1x31 h ARG 819 Cb 0.45 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 1x31 h ARG 819 CO -0.45 0.28 -0.51 0.00 -3.11 0.00 0.00 179.97 176.18 1x31 h ALA 820 N 1.73 0.91 0.00 2.80 0.00 -0.44 -2.10 119.26 122.17 1x31 h ALA 820 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1x31 h ALA 820 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x31 h ALA 820 CO 0.02 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.84 1x31 h GLU 821 N 0.00 0.00 -0.02 0.00 5.08 -0.85 -2.00 114.58 116.78 1x31 h GLU 821 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x31 h GLU 821 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1x31 h GLU 821 CO 0.07 0.00 -0.26 1.63 -1.00 0.00 0.00 179.01 179.45 1x31 n LYS 822 N -2.72 1.67 -1.04 2.33 4.76 -0.99 -1.28 118.16 120.89 1x31 n LYS 822 Ca 0.01 -1.35 -0.01 0.00 -2.87 0.00 0.00 58.31 54.10 1x31 n LYS 822 Cb 0.28 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.03 1x31 n LYS 822 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x31 n GLY 823 N 1.33 0.51 3.80 0.72 0.00 -0.75 -4.53 105.19 106.25 1x31 n GLY 823 Ca 0.11 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1x31 n GLY 823 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x31 s PHE 824 N -1.98 2.93 0.09 1.61 0.08 -0.83 -4.90 117.98 114.98 1x31 s PHE 824 Ca 0.00 1.53 -0.00 0.00 0.12 0.00 0.00 56.93 58.58 1x31 s PHE 824 Cb 0.00 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 1x31 s PHE 824 CO 0.00 -1.17 0.25 0.96 -0.10 0.00 0.00 175.22 175.16 1x31 s ILE 825 N -2.32 5.35 -0.30 0.64 -5.25 -1.26 -4.61 121.20 113.45 1x31 s ILE 825 Ca 0.65 -0.41 0.01 0.00 -0.99 0.00 0.00 60.65 59.91 1x31 s ILE 825 Cb -0.17 -3.66 0.06 0.00 2.95 0.00 0.00 42.46 41.65 1x31 s ILE 825 CO 0.34 0.07 -0.02 -0.63 -1.79 0.00 0.00 174.94 172.92 1x31 s ILE 826 N -1.58 2.64 0.16 8.37 -1.09 -1.26 -5.03 121.20 123.41 1x31 s ILE 826 Ca 0.36 -1.65 -0.33 0.00 -2.23 0.00 0.00 60.65 56.79 1x31 s ILE 826 Cb -0.12 -2.60 -0.13 0.00 -1.58 0.00 0.00 42.46 38.02 1x31 s ILE 826 CO 0.28 -0.19 1.62 0.52 -1.23 0.00 0.00 174.94 175.94 1x31 n VAL 827 N 4.51 0.02 0.00 2.92 0.31 -1.26 -0.97 118.33 123.86 1x31 n VAL 827 Ca -0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1x31 n VAL 827 Cb 0.43 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1x31 n VAL 827 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x31 n GLY 828 N 3.56 3.40 0.48 2.92 0.00 -1.13 -4.79 105.19 109.63 1x31 n GLY 828 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1x31 n GLY 828 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x31 n GLN 829 N -1.74 0.29 0.04 1.61 7.27 -0.36 -4.68 117.38 119.80 1x31 n GLN 829 Ca 0.00 0.11 -0.14 0.00 0.07 0.00 0.00 57.00 57.05 1x31 n GLN 829 Cb 0.00 -1.03 -0.14 0.00 2.41 0.00 0.00 30.24 31.48 1x31 n GLN 829 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1x31 h ASP 830 N -0.38 0.24 -3.12 1.69 3.32 -1.36 -3.46 116.42 113.35 1x31 h ASP 830 Ca -0.33 -0.35 -0.67 0.00 0.02 0.00 0.00 57.03 55.70 1x31 h ASP 830 Cb 1.33 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 1x31 h ASP 830 CO -0.17 1.30 -0.58 0.42 -1.72 0.00 0.00 179.24 178.49 1x31 s THR 831 N -2.62 4.66 -0.06 0.35 -4.23 -1.26 -4.94 115.64 107.55 1x31 s THR 831 Ca -0.07 -0.25 0.20 0.00 -1.18 0.00 0.00 61.69 60.39 1x31 s THR 831 Cb 0.08 -3.04 0.38 0.00 1.34 0.00 0.00 72.50 71.25 1x31 s THR 831 CO 0.83 0.50 1.17 -0.90 -0.54 0.00 0.00 174.62 175.68 1x31 n ASP 832 N 1.72 1.14 0.00 3.99 5.75 -1.26 -2.82 116.55 125.06 1x31 n ASP 832 Ca -0.17 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 1x31 n ASP 832 Cb 0.53 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1x31 n ASP 832 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x31 n GLY 833 N -0.02 0.87 0.00 6.12 0.00 -1.26 -4.81 105.19 106.09 1x31 n GLY 833 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1x31 n GLY 833 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x31 n THR 834 N -2.08 0.40 -3.69 2.61 -2.24 -1.26 -4.88 114.28 103.13 1x31 n THR 834 Ca 0.00 -0.57 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 1x31 n THR 834 Cb 0.00 0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 1x31 n THR 834 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x31 s VAL 835 N -0.40 4.70 0.57 2.28 1.01 -1.26 -5.02 120.40 122.27 1x31 s VAL 835 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1x31 s VAL 835 Cb 0.00 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1x31 s VAL 835 CO 0.00 0.31 0.82 0.42 0.00 0.00 0.00 175.10 176.65 1x31 s THR 836 N 1.65 3.01 0.44 3.92 -4.23 -1.26 -1.24 115.64 117.93 1x31 s THR 836 Ca 0.07 -0.46 0.11 0.00 -1.18 0.00 0.00 61.69 60.23 1x31 s THR 836 Cb -0.15 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.81 1x31 s THR 836 CO 0.06 -0.14 2.05 -0.65 -0.54 0.00 0.00 174.62 175.40 1x31 h PRO 837 N -0.03 0.41 -0.26 3.99 0.11 -1.89 -2.47 132.00 131.87 1x31 h PRO 837 Ca -0.44 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1x31 h PRO 837 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1x31 h PRO 837 CO 0.56 0.27 -0.17 1.96 -0.21 0.00 0.00 178.00 180.41 1x31 h GLN 838 N 0.42 0.57 -0.99 1.05 7.50 -1.94 0.16 115.11 121.88 1x31 h GLN 838 Ca 0.17 -0.27 0.08 0.00 0.50 0.00 0.00 58.65 59.12 1x31 h GLN 838 Cb 0.15 -0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.61 1x31 h GLN 838 CO -0.04 0.85 0.63 -0.44 -1.50 0.00 0.00 178.83 178.33 1x31 h ASP 839 N 0.29 0.99 0.00 1.46 3.32 -1.74 -0.58 116.42 120.17 1x31 h ASP 839 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1x31 h ASP 839 Cb 0.71 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1x31 h ASP 839 CO 0.05 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.18 1x31 n ALA 840 N -2.36 2.44 -3.04 3.45 0.00 -1.06 -0.25 120.51 119.69 1x31 n ALA 840 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 1x31 n ALA 840 Cb 0.22 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.71 1x31 n ALA 840 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 841 N 0.24 -0.02 2.58 0.00 0.00 -0.22 -4.83 105.19 102.95 1x31 n GLY 841 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1x31 n GLY 841 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x31 n MET 842 N -3.17 2.07 0.25 1.61 2.81 0.55 -4.81 117.12 116.44 1x31 n MET 842 Ca -0.02 -3.73 0.14 0.00 -1.81 0.00 0.00 57.70 52.29 1x31 n MET 842 Cb 0.55 -1.66 0.57 0.00 -0.71 0.00 0.00 33.22 31.97 1x31 n MET 842 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1x31 h GLU 843 N 2.78 0.00 0.00 0.03 4.81 -1.81 -2.74 114.58 117.64 1x31 h GLU 843 Ca 0.05 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1x31 h GLU 843 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1x31 h GLU 843 CO 0.59 0.08 -0.45 0.11 -0.73 0.00 0.00 179.01 178.61 1x31 h TRP 844 N 0.00 0.00 0.00 0.92 5.08 -1.92 -2.25 115.95 117.78 1x31 h TRP 844 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1x31 h TRP 844 Cb 0.63 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.79 1x31 h TRP 844 CO 0.00 0.45 0.00 1.55 -1.28 0.00 0.00 178.44 179.16 1x31 n VAL 845 N -4.01 0.08 -3.04 0.12 3.14 -1.03 -4.62 118.33 108.97 1x31 n VAL 845 Ca -0.02 0.02 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1x31 n VAL 845 Cb 0.47 -0.55 -0.06 0.00 -1.06 0.00 0.00 33.84 32.65 1x31 n VAL 845 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1x31 s VAL 846 N -2.68 4.70 0.17 1.55 1.01 -0.85 -2.33 120.40 121.97 1x31 s VAL 846 Ca 0.24 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 1x31 s VAL 846 Cb 0.19 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1x31 s VAL 846 CO 0.45 -0.86 1.55 -0.55 0.00 0.00 0.00 175.10 175.69 1x31 s SER 847 N 2.58 6.61 0.00 3.32 0.15 0.66 -4.88 113.70 122.14 1x31 s SER 847 Ca 0.22 2.60 0.19 0.00 0.70 0.00 0.00 55.95 59.66 1x31 s SER 847 Cb -0.16 -2.59 0.38 0.00 -1.71 0.00 0.00 66.02 61.94 1x31 s SER 847 CO 0.16 -0.81 1.31 2.29 1.20 0.00 0.00 173.24 177.40 1x31 n LYS 848 N 3.87 2.35 -0.09 5.44 2.85 -1.26 -4.38 118.16 126.93 1x31 n LYS 848 Ca 0.13 -2.14 -0.09 0.00 -1.05 0.00 0.00 58.31 55.16 1x31 n LYS 848 Cb 0.39 -1.43 -0.14 0.00 -0.65 0.00 0.00 35.03 33.20 1x31 n LYS 848 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1x31 n LEU 849 N 1.19 0.12 -4.15 -5.58 4.77 -1.26 -5.02 117.00 107.06 1x31 n LEU 849 Ca 0.17 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 1x31 n LEU 849 Cb 0.53 0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.92 1x31 n LEU 849 CO 0.13 0.47 -0.39 -1.59 -1.33 0.00 0.00 177.39 174.68 1x31 s LYS 850 N -2.45 0.78 0.28 3.23 0.00 -1.26 -5.16 119.74 115.17 1x31 s LYS 850 Ca -0.10 -1.23 -0.11 0.00 0.00 0.00 0.00 55.97 54.53 1x31 s LYS 850 Cb 0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 37.83 37.57 1x31 s LYS 850 CO 0.75 -0.00 0.62 0.34 0.00 0.00 0.00 175.35 177.06 1x31 s ASP 851 N -2.77 6.64 0.15 0.03 2.15 -1.26 -4.80 116.67 116.80 1x31 s ASP 851 Ca 0.08 1.02 -0.15 0.00 0.43 0.00 0.00 52.55 53.93 1x31 s ASP 851 Cb 0.02 -2.27 0.02 0.00 -0.30 0.00 0.00 42.92 40.40 1x31 s ASP 851 CO -0.04 -0.16 0.39 0.72 -0.17 0.00 0.00 175.17 175.92 1x31 s PHE 852 N -1.95 -0.05 0.10 -5.34 -0.12 -1.26 -4.55 117.98 104.81 1x31 s PHE 852 Ca 0.49 -0.30 -0.31 0.00 -0.05 0.00 0.00 56.93 56.77 1x31 s PHE 852 Cb -0.11 0.21 -0.10 0.00 -0.63 0.00 0.00 43.02 42.39 1x31 s PHE 852 CO 0.22 -0.75 1.89 0.28 -0.05 0.00 0.00 175.22 176.81 1x31 n VAL 853 N -0.24 0.51 0.00 -2.49 0.31 0.01 -1.92 118.33 114.50 1x31 n VAL 853 Ca -0.13 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1x31 n VAL 853 Cb 0.63 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1x31 n VAL 853 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x31 n GLY 854 N 4.36 2.28 0.27 2.92 0.00 -1.25 -4.52 105.19 109.24 1x31 n GLY 854 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1x31 n GLY 854 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x31 h LYS 855 N 0.33 0.48 -0.87 1.61 3.64 -1.69 -1.89 116.57 118.18 1x31 h LYS 855 Ca 0.00 -0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.55 1x31 h LYS 855 Cb 0.00 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 1x31 h LYS 855 CO 0.00 0.32 0.58 -0.09 -2.27 0.00 0.00 179.45 177.99 1x31 h ARG 856 N 0.50 0.36 0.00 1.90 9.65 -1.89 -0.66 114.38 124.24 1x31 h ARG 856 Ca 0.37 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.20 1x31 h ARG 856 Cb 0.48 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1x31 h ARG 856 CO -0.33 0.24 -0.10 0.77 2.80 0.00 0.00 179.97 183.34 1x31 h SER 857 N 0.37 0.00 0.15 -3.80 0.02 -1.56 -3.06 113.55 105.67 1x31 h SER 857 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1x31 h SER 857 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1x31 h SER 857 CO -0.15 0.10 0.00 0.49 -1.14 0.00 0.00 176.83 176.13 1x31 n PHE 858 N -3.29 0.73 1.05 3.45 0.99 -0.25 -1.93 117.46 118.21 1x31 n PHE 858 Ca -0.00 0.36 0.11 0.00 -0.00 0.00 0.00 57.45 57.92 1x31 n PHE 858 Cb 0.33 -1.08 0.07 0.00 -1.00 0.00 0.00 39.48 37.80 1x31 n PHE 858 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1x31 n SER 859 N -2.24 1.73 -4.72 4.37 3.41 -1.16 -4.54 113.62 110.48 1x31 n SER 859 Ca -0.01 -1.34 -0.31 0.00 -0.26 0.00 0.00 58.87 56.96 1x31 n SER 859 Cb 0.07 0.44 0.13 0.00 -0.26 0.00 0.00 64.21 64.59 1x31 n SER 859 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1x31 s ARG 860 N -2.53 1.52 0.13 4.33 0.52 -0.81 -4.83 118.95 117.28 1x31 s ARG 860 Ca 0.19 1.19 -0.26 0.00 -0.52 0.00 0.00 55.73 56.32 1x31 s ARG 860 Cb 0.18 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.81 1x31 s ARG 860 CO 0.58 -2.16 1.61 1.49 0.02 0.00 0.00 175.30 176.84 1x31 h GLU 861 N -1.51 -0.40 -0.16 3.54 4.81 -1.93 -2.17 114.58 116.75 1x31 h GLU 861 Ca -0.46 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1x31 h GLU 861 Cb 1.26 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1x31 h GLU 861 CO 0.49 -0.27 0.11 0.22 -0.73 0.00 0.00 179.01 178.84 1x31 h ASP 862 N -0.42 0.15 1.27 1.04 1.82 -1.95 -1.69 116.42 116.64 1x31 h ASP 862 Ca 0.09 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1x31 h ASP 862 Cb 0.55 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.52 1x31 h ASP 862 CO -0.34 0.10 -0.14 0.78 -1.61 0.00 0.00 179.24 178.03 1x31 h ASN 863 N 0.17 0.00 -0.47 2.28 2.35 -1.69 -3.19 115.58 115.03 1x31 h ASN 863 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1x31 h ASN 863 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1x31 h ASN 863 CO -0.01 0.14 0.00 1.33 -1.65 0.00 0.00 177.43 177.24 1x31 n VAL 864 N -3.22 2.18 -1.28 2.81 0.24 -0.65 -4.98 118.33 113.44 1x31 n VAL 864 Ca 0.01 -1.47 -0.30 0.00 -2.04 0.00 0.00 64.34 60.55 1x31 n VAL 864 Cb 0.46 -0.08 0.12 0.00 -1.47 0.00 0.00 33.84 32.87 1x31 n VAL 864 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x31 s ARG 865 N -2.36 1.54 0.00 7.34 0.52 -1.16 -4.96 118.95 119.87 1x31 s ARG 865 Ca 0.46 0.83 0.22 0.00 -0.52 0.00 0.00 55.73 56.73 1x31 s ARG 865 Cb 0.34 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 34.00 1x31 s ARG 865 CO 0.16 -2.05 1.08 0.39 0.02 0.00 0.00 175.30 174.90 1x31 n GLU 866 N -3.75 0.03 -0.73 3.54 1.02 -1.26 -4.28 120.64 115.21 1x31 n GLU 866 Ca 0.07 -0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 1x31 n GLU 866 Cb 0.55 -1.51 0.33 0.00 -0.02 0.00 0.00 31.44 30.80 1x31 n GLU 866 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1x31 n ASP 867 N -1.54 4.80 -4.76 1.62 5.75 -1.26 -4.76 116.55 116.40 1x31 n ASP 867 Ca 0.04 -3.03 -0.38 0.00 -0.01 0.00 0.00 54.79 51.41 1x31 n ASP 867 Cb 0.34 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1x31 n ASP 867 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1x31 s ARG 868 N -2.84 3.68 -0.04 0.11 0.52 -1.13 -4.56 118.95 114.70 1x31 s ARG 868 Ca 0.49 2.00 -0.30 0.00 -0.52 0.00 0.00 55.73 57.40 1x31 s ARG 868 Cb 0.39 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1x31 s ARG 868 CO 0.12 -0.68 1.19 0.15 0.02 0.00 0.00 175.30 176.11 1x31 s LYS 869 N -2.60 4.37 0.06 3.54 1.02 -1.26 -3.57 119.74 121.31 1x31 s LYS 869 Ca 0.63 1.68 0.01 0.00 0.02 0.00 0.00 55.97 58.31 1x31 s LYS 869 Cb -0.34 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1x31 s LYS 869 CO 0.42 -0.41 0.14 -1.01 -0.92 0.00 0.00 175.35 173.57 1x31 s HIS 870 N 2.01 3.35 -0.48 3.18 3.76 0.26 -4.75 115.29 122.63 1x31 s HIS 870 Ca 0.56 0.18 -0.24 0.00 -0.15 0.00 0.00 55.06 55.41 1x31 s HIS 870 Cb -0.25 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 31.77 1x31 s HIS 870 CO 0.23 0.56 0.88 -1.17 -0.85 0.00 0.00 174.74 174.39 1x31 s LEU 871 N -2.35 4.12 0.00 0.89 0.20 0.66 -1.01 118.68 121.19 1x31 s LEU 871 Ca 0.31 -0.08 0.03 0.00 0.69 0.00 0.00 54.13 55.08 1x31 s LEU 871 Cb -0.13 -3.03 -0.01 0.00 -0.43 0.00 0.00 46.19 42.60 1x31 s LEU 871 CO 0.23 -1.05 0.12 1.33 -0.29 0.00 0.00 176.35 176.70 1x31 n VAL 872 N 6.27 0.00 -3.45 1.68 0.24 0.12 -4.67 118.33 118.51 1x31 n VAL 872 Ca 0.04 -2.36 -0.20 0.00 -2.04 0.00 0.00 64.34 59.78 1x31 n VAL 872 Cb 0.48 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 1x31 n VAL 872 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x31 s SER 873 N -3.54 5.41 -0.00 -1.34 1.04 -1.09 0.51 113.70 114.69 1x31 s SER 873 Ca 0.17 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1x31 s SER 873 Cb 0.01 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.34 1x31 s SER 873 CO 0.12 -0.58 -0.01 -0.69 0.98 0.00 0.00 173.24 173.06 1x31 s VAL 874 N -2.36 0.05 -0.28 5.02 1.01 0.11 -1.21 120.40 122.74 1x31 s VAL 874 Ca 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1x31 s VAL 874 Cb -0.07 -0.06 0.08 0.00 0.00 0.00 0.00 36.38 36.34 1x31 s VAL 874 CO 0.29 0.02 0.05 -0.76 0.00 0.00 0.00 175.10 174.70 1x31 s LEU 875 N 0.04 2.49 0.34 3.92 1.43 0.11 -2.32 118.68 124.69 1x31 s LEU 875 Ca -0.00 -1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 51.34 1x31 s LEU 875 Cb -0.01 -1.00 -0.11 0.00 0.03 0.00 0.00 46.19 45.10 1x31 s LEU 875 CO -0.00 -0.35 1.52 -2.65 0.23 0.00 0.00 176.35 175.10 1x31 n PRO 876 N 4.76 2.66 -0.13 1.29 -0.02 -1.26 -0.65 135.00 141.65 1x31 n PRO 876 Ca -0.05 0.94 0.20 0.00 -2.02 0.00 0.00 63.50 62.57 1x31 n PRO 876 Cb 0.43 -2.68 0.61 0.00 -0.02 0.00 0.00 33.50 31.84 1x31 n PRO 876 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1x31 h VAL 877 N 3.09 0.71 -3.24 -1.45 -1.51 -1.61 -3.31 116.25 108.93 1x31 h VAL 877 Ca -0.49 -0.07 -0.63 0.00 -1.23 0.00 0.00 66.70 64.28 1x31 h VAL 877 Cb 1.24 0.49 -0.14 0.00 -2.13 0.00 0.00 31.29 30.75 1x31 h VAL 877 CO 0.70 0.04 0.42 -0.62 -1.23 0.00 0.00 177.57 176.87 1x31 s ASP 878 N -5.92 6.31 0.26 4.19 3.68 -1.26 -4.93 116.67 119.00 1x31 s ASP 878 Ca -0.06 -0.48 0.15 0.00 2.13 0.00 0.00 52.55 54.28 1x31 s ASP 878 Cb 0.21 -2.39 0.81 0.00 -1.45 0.00 0.00 42.92 40.10 1x31 s ASP 878 CO 0.76 -1.12 1.42 -1.54 0.13 0.00 0.00 175.17 174.82 1x31 n SER 879 N 7.07 0.39 -0.25 -0.34 3.41 -1.25 -1.93 113.62 120.71 1x31 n SER 879 Ca -0.00 0.64 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 1x31 n SER 879 Cb 0.47 -0.66 0.02 0.00 -0.26 0.00 0.00 64.21 63.77 1x31 n SER 879 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x31 n SER 880 N -2.03 1.36 -4.64 4.04 3.41 -1.26 -1.63 113.62 112.87 1x31 n SER 880 Ca -0.01 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 1x31 n SER 880 Cb 0.12 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 1x31 n SER 880 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x31 s LEU 881 N -1.14 4.07 -0.34 1.04 2.96 -0.81 -4.93 118.68 119.52 1x31 s LEU 881 Ca 0.08 1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.91 1x31 s LEU 881 Cb 0.07 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1x31 s LEU 881 CO 0.16 -0.62 0.19 -0.60 -1.32 0.00 0.00 176.35 174.16 1x31 s ARG 882 N 3.05 3.17 0.66 1.98 3.52 -1.26 -4.81 118.95 125.26 1x31 s ARG 882 Ca 0.38 -0.84 -0.17 0.00 -0.13 0.00 0.00 55.73 54.97 1x31 s ARG 882 Cb -0.15 -3.67 -0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1x31 s ARG 882 CO 0.09 -0.53 1.18 -0.51 -0.81 0.00 0.00 175.30 174.73 1x31 s LEU 883 N 1.61 3.48 0.03 -0.88 1.43 -1.26 -4.99 118.68 118.10 1x31 s LEU 883 Ca 0.04 2.28 -0.24 0.00 -1.03 0.00 0.00 54.13 55.17 1x31 s LEU 883 Cb -0.18 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 1x31 s LEU 883 CO 0.07 -1.83 0.75 0.00 0.23 0.00 0.00 176.35 175.56 1x31 s ALA 884 N -1.91 3.37 0.16 4.21 0.00 -1.26 -4.63 121.76 121.70 1x31 s ALA 884 Ca 0.74 0.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 1x31 s ALA 884 Cb -0.27 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 1x31 s ALA 884 CO 0.39 0.06 1.74 0.39 0.00 0.00 0.00 175.76 178.33 1x31 n GLU 885 N 2.90 2.64 0.00 0.00 1.02 -1.26 -0.96 120.64 124.98 1x31 n GLU 885 Ca -0.03 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 1x31 n GLU 885 Cb 0.50 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1x31 n GLU 885 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x31 n GLY 886 N 3.96 1.40 3.67 0.62 0.00 0.15 -5.02 105.19 109.97 1x31 n GLY 886 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1x31 n GLY 886 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 n ALA 887 N -0.96 0.94 -2.42 4.61 0.00 -0.14 -4.60 120.51 117.94 1x31 n ALA 887 Ca 0.00 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 1x31 n ALA 887 Cb 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.17 1x31 n ALA 887 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 s ALA 888 N -0.70 3.58 -0.14 0.00 0.00 -1.26 -1.00 121.76 122.24 1x31 s ALA 888 Ca 0.61 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 1x31 s ALA 888 Cb -0.62 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1x31 s ALA 888 CO 0.57 0.33 0.02 -0.51 0.00 0.00 0.00 175.76 176.17 1x31 s LEU 889 N -0.73 3.61 0.10 0.00 1.43 0.84 -4.48 118.68 119.44 1x31 s LEU 889 Ca 0.28 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1x31 s LEU 889 Cb -0.18 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1x31 s LEU 889 CO 0.16 0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 176.12 1x31 s VAL 890 N -0.07 1.51 0.41 -1.59 1.01 0.19 -0.81 120.40 121.05 1x31 s VAL 890 Ca 0.04 -1.53 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 1x31 s VAL 890 Cb -0.13 -1.44 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1x31 s VAL 890 CO 0.02 -0.17 1.41 0.00 0.00 0.00 0.00 175.10 176.36 1x31 n ALA 891 N 1.01 1.97 0.27 5.51 0.00 -1.26 -0.41 120.51 127.60 1x31 n ALA 891 Ca -0.19 0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1x31 n ALA 891 Cb 0.54 -2.37 0.73 0.00 0.00 0.00 0.00 19.45 18.36 1x31 n ALA 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x31 h ALA 892 N 2.52 1.61 -0.41 0.00 0.00 -1.90 -1.54 119.26 119.55 1x31 h ALA 892 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1x31 h ALA 892 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1x31 h ALA 892 CO 0.62 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1x31 n ASP 893 N -4.05 3.34 -4.76 0.00 5.75 -1.26 -4.99 116.55 110.57 1x31 n ASP 893 Ca -0.03 -1.95 -0.41 0.00 -0.01 0.00 0.00 54.79 52.40 1x31 n ASP 893 Cb 0.15 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 1x31 n ASP 893 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x31 s ALA 894 N -1.28 3.51 0.45 2.12 0.00 -0.58 -5.04 121.76 120.94 1x31 s ALA 894 Ca 0.36 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.58 1x31 s ALA 894 Cb 0.20 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1x31 s ALA 894 CO 0.28 -0.60 0.04 0.14 0.00 0.00 0.00 175.76 175.62 1x31 s VAL 895 N -0.83 1.70 0.35 0.00 -7.23 -1.26 -4.96 120.40 108.17 1x31 s VAL 895 Ca 0.51 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1x31 s VAL 895 Cb -0.39 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1x31 s VAL 895 CO 0.49 0.00 0.59 0.00 -0.31 0.00 0.00 175.10 175.86 1x31 s ALA 896 N -2.77 3.63 -0.31 1.32 0.00 -1.26 -4.35 121.76 118.02 1x31 s ALA 896 Ca 0.24 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1x31 s ALA 896 Cb 0.06 -2.24 0.15 0.00 0.00 0.00 0.00 23.12 21.09 1x31 s ALA 896 CO 0.13 -0.00 0.34 -1.12 0.00 0.00 0.00 175.76 175.10 1x31 s SER 897 N -3.81 1.29 -1.88 0.00 0.01 0.89 -4.87 113.70 105.33 1x31 s SER 897 Ca 0.42 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1x31 s SER 897 Cb -0.10 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1x31 s SER 897 CO 0.36 -0.35 0.00 1.21 0.41 0.00 0.00 173.24 174.87 1x31 n GLU 898 N 5.07 -1.40 0.00 12.44 2.13 -1.26 -1.62 120.64 136.01 1x31 n GLU 898 Ca 0.02 1.08 0.00 0.00 0.66 0.00 0.00 57.16 58.92 1x31 n GLU 898 Cb 0.47 -5.48 0.00 0.00 0.27 0.00 0.00 31.44 26.70 1x31 n GLU 898 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x31 n GLY 899 N -0.77 0.49 3.35 8.31 0.00 -1.26 -5.08 105.19 110.22 1x31 n GLY 899 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1x31 n GLY 899 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x31 s VAL 900 N -2.00 2.81 -0.10 1.61 1.01 -0.64 -5.09 120.40 118.00 1x31 s VAL 900 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1x31 s VAL 900 Cb 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1x31 s VAL 900 CO 0.00 0.54 -0.18 0.42 0.00 0.00 0.00 175.10 175.88 1x31 s THR 901 N 0.20 1.64 0.41 3.92 -4.23 -1.26 -0.08 115.64 116.23 1x31 s THR 901 Ca -0.10 -0.76 -0.26 0.00 -1.18 0.00 0.00 61.69 59.40 1x31 s THR 901 Cb -0.16 -1.45 -0.10 0.00 1.34 0.00 0.00 72.50 72.13 1x31 s THR 901 CO 0.06 0.47 1.22 -2.65 -0.54 0.00 0.00 174.62 173.18 1x31 n PRO 902 N 3.83 1.84 -4.29 3.99 -0.02 -1.26 -5.01 135.00 134.07 1x31 n PRO 902 Ca -0.20 0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 61.63 1x31 n PRO 902 Cb 0.52 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 1x31 n PRO 902 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1x31 s MET 903 N -2.12 2.08 0.00 -0.52 -1.94 -1.26 -4.51 119.30 111.03 1x31 s MET 903 Ca 0.61 -1.03 0.22 0.00 -1.71 0.00 0.00 55.69 53.77 1x31 s MET 903 Cb -0.53 -2.27 -0.22 0.00 2.01 0.00 0.00 34.83 33.82 1x31 s MET 903 CO 0.58 0.51 0.75 0.39 -0.01 0.00 0.00 175.02 177.25 1x31 n GLU 904 N 0.85 0.33 -3.72 2.03 -0.58 0.01 -4.98 120.64 114.58 1x31 n GLU 904 Ca -0.14 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1x31 n GLU 904 Cb 0.52 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1x31 n GLU 904 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x31 n GLY 905 N 1.37 -1.37 3.08 0.62 0.00 -1.20 -1.20 105.19 106.49 1x31 n GLY 905 Ca 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 1x31 n GLY 905 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1x31 s TRP 906 N -2.83 0.49 -0.26 1.61 1.48 -1.12 -0.12 118.94 118.20 1x31 s TRP 906 Ca 0.00 -1.01 -0.24 0.00 -1.06 0.00 0.00 56.10 53.79 1x31 s TRP 906 Cb 0.00 -0.36 -0.00 0.00 -1.16 0.00 0.00 33.47 31.94 1x31 s TRP 906 CO 0.00 -0.37 0.83 0.08 -4.06 0.00 0.00 176.95 173.43 1x31 s VAL 907 N -3.70 4.82 0.05 -0.66 1.01 -0.17 -1.85 120.40 119.90 1x31 s VAL 907 Ca 0.05 1.51 -0.09 0.00 0.00 0.00 0.00 61.98 63.44 1x31 s VAL 907 Cb 0.06 -4.13 -0.32 0.00 0.00 0.00 0.00 36.38 32.00 1x31 s VAL 907 CO -0.09 -0.11 1.07 0.71 0.00 0.00 0.00 175.10 176.67 1x31 h THR 908 N 5.47 1.39 -3.43 3.92 1.35 -1.13 0.43 112.91 120.91 1x31 h THR 908 Ca -0.23 -2.90 -0.07 0.00 -0.55 0.00 0.00 66.41 62.66 1x31 h THR 908 Cb 1.09 2.98 -0.14 0.00 -1.73 0.00 0.00 68.15 70.35 1x31 h THR 908 CO 0.88 0.86 -0.18 -1.00 -0.25 0.00 0.00 175.52 175.82 1x31 s HIS 909 N -2.63 -0.11 -0.21 4.73 0.09 -1.08 -4.64 115.29 111.44 1x31 s HIS 909 Ca -0.06 -0.17 -0.10 0.00 -0.00 0.00 0.00 55.06 54.73 1x31 s HIS 909 Cb 0.06 0.15 0.08 0.00 -0.00 0.00 0.00 32.58 32.86 1x31 s HIS 909 CO 0.91 -0.61 0.50 0.00 -0.00 0.00 0.00 174.74 175.54 1x31 s ALA 910 N -3.40 -1.35 0.22 -1.40 0.00 -1.26 -1.48 121.76 113.09 1x31 s ALA 910 Ca 0.01 1.81 0.04 0.00 0.00 0.00 0.00 51.96 53.81 1x31 s ALA 910 Cb 0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1x31 s ALA 910 CO -0.09 -0.44 0.13 0.66 0.00 0.00 0.00 175.76 176.02 1x31 n TYR 911 N 4.59 -0.21 -3.93 0.00 4.02 -0.34 -4.89 117.16 116.40 1x31 n TYR 911 Ca -0.19 -1.66 -0.35 0.00 -0.01 0.00 0.00 57.90 55.70 1x31 n TYR 911 Cb 0.54 0.09 -0.14 0.00 -0.02 0.00 0.00 39.34 39.81 1x31 n TYR 911 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1x31 s ASN 912 N -2.47 4.46 -0.36 7.72 3.04 -1.26 -2.19 114.94 123.87 1x31 s ASN 912 Ca 0.19 -0.89 -0.16 0.00 0.04 0.00 0.00 52.86 52.04 1x31 s ASN 912 Cb 0.01 -1.69 -0.00 0.00 -1.54 0.00 0.00 41.25 38.02 1x31 s ASN 912 CO 0.13 -0.15 0.38 -0.55 -3.04 0.00 0.00 177.10 173.88 1x31 s SER 913 N 1.34 6.19 0.23 -4.21 0.15 -0.29 -4.88 113.70 112.23 1x31 s SER 913 Ca -0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1x31 s SER 913 Cb -0.17 -2.21 0.24 0.00 -1.71 0.00 0.00 66.02 62.18 1x31 s SER 913 CO -0.03 -0.40 1.59 -0.65 1.20 0.00 0.00 173.24 174.94 1x31 h PRO 914 N 8.53 0.46 -0.37 5.44 0.11 -1.89 0.29 132.00 144.58 1x31 h PRO 914 Ca -0.29 -0.25 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 1x31 h PRO 914 Cb 1.13 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1x31 h PRO 914 CO 0.72 0.83 0.03 0.00 -0.21 0.00 0.00 178.00 179.37 1x31 h ALA 915 N 1.13 0.49 -0.00 -0.75 0.00 -1.91 -2.85 119.26 115.37 1x31 h ALA 915 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1x31 h ALA 915 Cb 0.95 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x31 h ALA 915 CO 0.08 0.23 -0.32 1.28 0.00 0.00 0.00 179.25 180.52 1x31 n LEU 916 N -4.52 0.33 -1.83 0.00 4.77 -1.17 -4.93 117.00 109.63 1x31 n LEU 916 Ca -0.01 0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 1x31 n LEU 916 Cb 0.25 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1x31 n LEU 916 CO 0.39 0.08 -0.21 0.61 -1.33 0.00 0.00 177.39 176.93 1x31 n GLY 917 N 1.50 0.45 3.78 -0.72 0.00 0.98 -4.94 105.19 106.24 1x31 n GLY 917 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1x31 n GLY 917 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x31 s ARG 918 N -4.39 1.31 0.21 1.61 1.70 -0.85 -5.01 118.95 113.52 1x31 s ARG 918 Ca 0.00 -0.74 -0.14 0.00 -0.47 0.00 0.00 55.73 54.38 1x31 s ARG 918 Cb 0.00 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 1x31 s ARG 918 CO 0.00 -0.60 0.62 0.95 -1.08 0.00 0.00 175.30 175.19 1x31 s THR 919 N -3.22 4.78 0.28 4.99 -4.23 -0.65 -1.13 115.64 116.46 1x31 s THR 919 Ca 0.13 0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 61.48 1x31 s THR 919 Cb -0.02 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.12 1x31 s THR 919 CO 0.03 0.09 0.42 2.22 -0.54 0.00 0.00 174.62 176.84 1x31 n PHE 920 N 0.36 -1.35 -3.57 3.99 1.16 -0.93 -4.46 117.46 112.67 1x31 n PHE 920 Ca -0.02 -1.81 -0.06 0.00 -1.87 0.00 0.00 57.45 53.69 1x31 n PHE 920 Cb 0.52 0.47 -0.02 0.00 -1.61 0.00 0.00 39.48 38.84 1x31 n PHE 920 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1x31 s GLY 921 N -2.71 -0.33 -0.06 4.97 0.00 -0.98 -1.20 107.32 107.01 1x31 s GLY 921 Ca 0.22 1.51 -0.05 0.00 0.00 0.00 0.00 44.72 46.40 1x31 s GLY 921 CO 0.16 0.54 0.16 1.08 0.00 0.00 0.00 173.10 175.03 1x31 s LEU 922 N -2.12 4.36 0.12 0.66 1.43 -0.55 0.05 118.68 122.62 1x31 s LEU 922 Ca 0.07 0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1x31 s LEU 922 Cb -0.01 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1x31 s LEU 922 CO -0.06 0.33 0.18 0.00 0.23 0.00 0.00 176.35 177.04 1x31 s ALA 923 N -1.18 0.10 -0.33 4.21 0.00 0.18 -0.52 121.76 124.22 1x31 s ALA 923 Ca 0.21 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1x31 s ALA 923 Cb -0.12 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1x31 s ALA 923 CO 0.11 -0.54 0.07 -0.51 0.00 0.00 0.00 175.76 174.90 1x31 s LEU 924 N -2.93 4.20 0.00 0.00 1.43 -0.77 0.10 118.68 120.71 1x31 s LEU 924 Ca 0.12 -1.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 1x31 s LEU 924 Cb 0.05 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1x31 s LEU 924 CO -0.05 -0.31 -0.12 -0.63 0.23 0.00 0.00 176.35 175.47 1x31 s ILE 925 N 1.35 3.28 0.22 -0.59 -1.09 -0.18 -2.79 121.20 121.41 1x31 s ILE 925 Ca -0.03 -0.87 0.09 0.00 -2.23 0.00 0.00 60.65 57.62 1x31 s ILE 925 Cb -0.20 -2.38 0.09 0.00 -1.58 0.00 0.00 42.46 38.40 1x31 s ILE 925 CO 0.01 0.43 1.15 0.11 -1.23 0.00 0.00 174.94 175.41 1x31 h LYS 926 N 4.73 0.00 0.00 2.79 1.57 -1.36 0.75 116.57 125.06 1x31 h LYS 926 Ca -0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 1x31 h LYS 926 Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.38 1x31 h LYS 926 CO 0.51 0.00 -0.20 -1.71 -0.57 0.00 0.00 179.45 177.48 1x31 n ASN 927 N -2.06 -0.69 -0.29 0.86 5.15 -1.23 -2.82 115.26 114.18 1x31 n ASN 927 Ca -0.01 -1.38 0.07 0.00 -0.60 0.00 0.00 54.58 52.66 1x31 n ASN 927 Cb 0.52 0.21 0.15 0.00 -0.53 0.00 0.00 39.78 40.12 1x31 n ASN 927 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x31 n GLY 928 N -0.03 -1.29 0.29 8.20 0.00 -0.97 -0.63 105.19 110.76 1x31 n GLY 928 Ca -0.19 0.85 0.15 0.00 0.00 0.00 0.00 46.02 46.83 1x31 n GLY 928 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x31 h ARG 929 N 0.00 0.00 -0.34 1.61 3.08 -1.89 -1.90 114.38 114.94 1x31 h ARG 929 Ca 0.42 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.41 1x31 h ARG 929 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1x31 h ARG 929 CO -0.81 0.03 0.02 0.09 -1.07 0.00 0.00 179.97 178.23 1x31 n ASN 930 N -3.74 3.88 -0.19 7.04 3.02 0.20 -4.42 115.26 121.04 1x31 n ASN 930 Ca -0.03 -3.15 0.02 0.00 -0.03 0.00 0.00 54.58 51.39 1x31 n ASN 930 Cb 0.13 -0.59 0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1x31 n ASN 930 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x31 n ARG 931 N -0.51 0.73 -1.66 3.52 1.74 -0.72 -5.08 116.66 114.68 1x31 n ARG 931 Ca 0.26 -1.25 -0.48 0.00 -0.77 0.00 0.00 57.85 55.61 1x31 n ARG 931 Cb 0.99 -0.78 -0.05 0.00 -1.02 0.00 0.00 32.46 31.60 1x31 n ARG 931 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1x31 n ILE 932 N -0.37 0.12 0.00 0.55 2.08 -1.20 -1.72 119.36 118.82 1x31 n ILE 932 Ca 0.03 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1x31 n ILE 932 Cb 0.56 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.95 1x31 n ILE 932 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x31 n GLY 933 N 3.52 2.80 3.75 7.39 0.00 -0.27 -5.03 105.19 117.34 1x31 n GLY 933 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1x31 n GLY 933 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x31 s GLU 934 N -0.45 2.88 -0.20 1.61 2.12 -0.70 -4.74 118.70 119.22 1x31 s GLU 934 Ca 0.00 1.78 -0.05 0.00 0.36 0.00 0.00 54.97 57.06 1x31 s GLU 934 Cb 0.00 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 1x31 s GLU 934 CO 0.00 -1.27 -0.00 0.08 -0.54 0.00 0.00 175.26 173.53 1x31 s VAL 935 N -1.70 3.91 0.39 3.70 1.01 -1.26 -2.10 120.40 124.35 1x31 s VAL 935 Ca 0.76 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.49 1x31 s VAL 935 Cb -0.29 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1x31 s VAL 935 CO 0.35 0.43 0.21 -0.76 0.00 0.00 0.00 175.10 175.33 1x31 s LEU 936 N 1.03 3.22 0.10 3.92 1.43 0.92 -4.01 118.68 125.30 1x31 s LEU 936 Ca 0.02 -0.91 0.10 0.00 -1.03 0.00 0.00 54.13 52.30 1x31 s LEU 936 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1x31 s LEU 936 CO 0.01 -0.49 -0.25 -0.54 0.23 0.00 0.00 176.35 175.32 1x31 s LYS 937 N -3.93 1.38 -0.02 1.70 1.02 0.45 -0.36 119.74 119.98 1x31 s LYS 937 Ca 0.42 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1x31 s LYS 937 Cb 0.00 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1x31 s LYS 937 CO 0.24 0.42 -0.00 0.99 -0.92 0.00 0.00 175.35 176.07 1x31 s THR 938 N -1.03 0.13 -0.13 2.17 2.01 -0.17 -0.63 115.64 117.98 1x31 s THR 938 Ca 0.11 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 1x31 s THR 938 Cb -0.10 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1x31 s THR 938 CO 0.05 0.10 1.70 -2.16 -0.69 0.00 0.00 174.62 173.62 1x31 s PRO 939 N 0.63 3.92 -0.04 4.92 0.04 -1.26 -0.52 135.00 142.70 1x31 s PRO 939 Ca -0.06 1.97 -0.00 0.00 0.04 0.00 0.00 61.00 62.95 1x31 s PRO 939 Cb -0.09 -4.05 0.03 0.00 0.04 0.00 0.00 34.50 30.43 1x31 s PRO 939 CO -0.01 -1.15 0.02 0.08 0.04 0.00 0.00 177.00 175.97 1x31 s VAL 940 N 4.92 0.13 -1.42 -0.36 1.01 0.24 -4.85 120.40 120.07 1x31 s VAL 940 Ca 0.76 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 1x31 s VAL 940 Cb -0.30 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 35.88 1x31 s VAL 940 CO 0.31 0.17 0.65 0.47 0.00 0.00 0.00 175.10 176.70 1x31 n ASP 941 N 4.56 -4.34 0.00 3.32 10.43 -1.26 -1.26 116.55 127.99 1x31 n ASP 941 Ca -0.18 -0.51 0.00 0.00 2.57 0.00 0.00 54.79 56.66 1x31 n ASP 941 Cb 0.50 -3.54 0.00 0.00 1.84 0.00 0.00 41.12 39.92 1x31 n ASP 941 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x31 n GLY 942 N -1.37 0.81 3.11 0.44 0.00 -1.26 -5.04 105.19 101.88 1x31 n GLY 942 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1x31 n GLY 942 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x31 s GLN 943 N -0.34 0.65 -0.42 1.61 -0.21 -0.39 -5.11 119.66 115.45 1x31 s GLN 943 Ca 0.00 -1.07 -0.26 0.00 0.02 0.00 0.00 55.36 54.06 1x31 s GLN 943 Cb 0.00 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.89 1x31 s GLN 943 CO 0.00 -0.01 0.93 -0.51 -2.12 0.00 0.00 175.29 173.58 1x31 s LEU 944 N -2.41 3.98 0.21 2.90 1.43 -1.26 0.79 118.68 124.32 1x31 s LEU 944 Ca 0.02 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1x31 s LEU 944 Cb -0.01 -3.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 1x31 s LEU 944 CO -0.04 -0.98 0.49 -0.69 0.23 0.00 0.00 176.35 175.36 1x31 s VAL 945 N 3.67 5.03 0.11 -1.59 1.01 0.32 -4.75 120.40 124.20 1x31 s VAL 945 Ca 0.38 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 1x31 s VAL 945 Cb -0.11 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1x31 s VAL 945 CO 0.24 -0.07 0.70 -1.81 0.00 0.00 0.00 175.10 174.16 1x31 s ASP 946 N -2.50 7.23 -0.01 3.32 -0.00 -1.26 -1.00 116.67 122.46 1x31 s ASP 946 Ca 0.45 1.46 0.00 0.00 -0.00 0.00 0.00 52.55 54.46 1x31 s ASP 946 Cb -0.11 -2.44 0.01 0.00 -0.00 0.00 0.00 42.92 40.37 1x31 s ASP 946 CO 0.24 0.19 -0.00 0.68 -0.00 0.00 0.00 175.17 176.27 1x31 s VAL 947 N -0.89 0.05 -0.18 -1.27 -7.23 0.52 -1.47 120.40 109.93 1x31 s VAL 947 Ca 0.34 0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1x31 s VAL 947 Cb -0.21 -0.08 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 1x31 s VAL 947 CO 0.23 0.04 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.47 1x31 s GLN 948 N 0.25 3.65 0.05 4.82 0.74 0.18 -0.05 119.66 129.29 1x31 s GLN 948 Ca -0.02 -0.52 -0.31 0.00 0.05 0.00 0.00 55.36 54.57 1x31 s GLN 948 Cb -0.04 -3.02 -0.06 0.00 1.10 0.00 0.00 33.01 30.99 1x31 s GLN 948 CO -0.01 0.10 1.27 0.14 -0.55 0.00 0.00 175.29 176.24 1x31 s VAL 949 N 0.75 3.85 0.00 1.34 -7.23 -0.89 0.05 120.40 118.26 1x31 s VAL 949 Ca -0.00 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 1x31 s VAL 949 Cb -0.14 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 32.96 1x31 s VAL 949 CO 0.02 0.08 0.00 -0.24 -0.31 0.00 0.00 175.10 174.65 1x31 n SER 950 N 4.25 1.74 -4.79 4.85 2.88 -0.35 -1.12 113.62 121.09 1x31 n SER 950 Ca 0.10 -0.99 -0.35 0.00 -1.33 0.00 0.00 58.87 56.30 1x31 n SER 950 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1x31 n SER 950 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1x31 s ASP 951 N -0.97 6.30 0.19 -3.46 1.01 -1.26 -2.68 116.67 115.79 1x31 s ASP 951 Ca 0.00 2.05 -0.12 0.00 0.71 0.00 0.00 52.55 55.18 1x31 s ASP 951 Cb 0.00 -2.57 0.22 0.00 1.01 0.00 0.00 42.92 41.57 1x31 s ASP 951 CO 0.00 -0.82 1.70 0.25 0.21 0.00 0.00 175.17 176.51 1x31 h LEU 952 N 1.76 -0.07 -8.77 1.23 5.85 -1.88 -3.34 115.31 110.08 1x31 h LEU 952 Ca -0.49 0.11 -0.64 0.00 0.84 0.00 0.00 57.88 57.69 1x31 h LEU 952 Cb 1.23 0.16 -0.15 0.00 0.37 0.00 0.00 40.66 42.27 1x31 h LEU 952 CO 0.59 -0.01 -0.06 -0.69 -0.34 0.00 0.00 178.44 177.93 1x31 s VAL 953 N -6.14 5.02 -0.24 1.05 1.01 -1.26 -3.78 120.40 116.06 1x31 s VAL 953 Ca -0.13 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1x31 s VAL 953 Cb 0.16 -3.95 -0.16 0.00 0.00 0.00 0.00 36.38 32.43 1x31 s VAL 953 CO 0.73 -0.20 -0.07 0.18 0.00 0.00 0.00 175.10 175.74 1x31 n LEU 954 N 5.72 2.04 -4.70 3.92 7.99 -1.08 -4.77 117.00 126.12 1x31 n LEU 954 Ca -0.05 0.33 -0.39 0.00 -0.01 0.00 0.00 56.01 55.89 1x31 n LEU 954 Cb 0.49 -0.91 -0.06 0.00 -0.11 0.00 0.00 43.42 42.83 1x31 n LEU 954 CO 0.45 0.50 0.22 0.12 -1.51 0.00 0.00 177.39 177.18 1x31 s PHE 955 N -2.46 3.46 -1.17 -1.77 5.36 -0.40 -4.55 117.98 116.45 1x31 s PHE 955 Ca -0.33 0.88 -0.30 0.00 -0.96 0.00 0.00 56.93 56.22 1x31 s PHE 955 Cb 0.10 -2.63 0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1x31 s PHE 955 CO 0.56 0.04 0.71 -3.47 -1.46 0.00 0.00 175.22 171.60 1x31 n ASP 956 N 4.17 -4.51 -0.11 6.13 2.03 -1.26 -4.73 116.55 118.27 1x31 n ASP 956 Ca -0.05 -1.21 0.25 0.00 0.52 0.00 0.00 54.79 54.30 1x31 n ASP 956 Cb 0.51 -2.11 0.72 0.00 -0.72 0.00 0.00 41.12 39.51 1x31 n ASP 956 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1x31 h PRO 957 N -2.32 0.00 -0.00 -0.67 0.11 -1.86 0.40 132.00 127.66 1x31 h PRO 957 Ca -0.69 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.42 1x31 h PRO 957 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1x31 h PRO 957 CO 0.50 0.00 -0.26 0.39 -0.21 0.00 0.00 178.00 178.42 1x31 n GLU 958 N -4.25 0.02 -3.22 1.05 -0.58 -1.26 -4.95 120.64 107.44 1x31 n GLU 958 Ca 0.15 -0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.73 1x31 n GLU 958 Cb 0.83 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.26 1x31 n GLU 958 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x31 n GLY 959 N 1.50 -0.05 0.03 0.62 0.00 0.13 -4.90 105.19 102.52 1x31 n GLY 959 Ca 0.06 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1x31 n GLY 959 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x31 n SER 960 N -1.50 0.16 -1.00 1.61 3.41 -1.26 -2.49 113.62 112.55 1x31 n SER 960 Ca 0.00 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 1x31 n SER 960 Cb 0.54 -0.57 0.20 0.00 -0.26 0.00 0.00 64.21 64.12 1x31 n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x31 n ARG 961 N -1.67 2.39 -0.02 4.33 1.74 -1.26 -4.58 116.66 117.59 1x31 n ARG 961 Ca 0.04 -2.17 0.13 0.00 -0.77 0.00 0.00 57.85 55.07 1x31 n ARG 961 Cb 0.22 -1.44 0.55 0.00 -1.02 0.00 0.00 32.46 30.78 1x31 n ARG 961 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1x31 h ARG 962 N 3.65 0.28 -0.01 5.56 2.43 -1.50 -3.26 114.38 121.53 1x31 h ARG 962 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1x31 h ARG 962 Cb 0.87 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1x31 h ARG 962 CO 0.00 0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 178.40