#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n50 h ALA 6 N 0.00 0.23 0.00 7.82 0.00 -2.05 -2.56 119.26 122.70 1n50 h ALA 6 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1n50 h ALA 6 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n50 h ALA 6 CO 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 179.25 179.02 1n50 h ALA 7 N 0.77 1.16 -0.04 0.00 0.00 -2.04 -1.29 119.26 117.82 1n50 h ALA 7 Ca 0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1n50 h ALA 7 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1n50 h ALA 7 CO 0.01 0.23 -0.64 0.93 0.00 0.00 0.00 179.25 179.78 1n50 h GLU 8 N 0.00 0.15 0.00 0.00 5.08 -1.91 -2.64 114.58 115.26 1n50 h GLU 8 Ca -0.00 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1n50 h GLU 8 Cb 0.53 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1n50 h GLU 8 CO 0.02 0.74 -1.00 1.96 -1.00 0.00 0.00 179.01 179.73 1n50 h GLN 9 N 0.11 0.00 -0.36 2.33 1.08 -1.03 -2.85 115.11 114.39 1n50 h GLN 9 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1n50 h GLN 9 Cb 1.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1n50 h GLN 9 CO 0.09 0.37 0.12 -0.92 -0.95 0.00 0.00 178.83 177.55 1n50 h TYR 10 N 0.00 0.58 -0.86 2.96 3.20 -1.16 -2.81 116.97 118.88 1n50 h TYR 10 Ca -0.09 -0.05 -0.37 0.00 3.14 0.00 0.00 58.73 61.36 1n50 h TYR 10 Cb 1.47 -0.17 -0.22 0.00 1.54 0.00 0.00 36.73 39.36 1n50 h TYR 10 CO 0.00 0.55 0.45 1.04 -1.64 0.00 0.00 178.16 178.56 1n50 n GLN 11 N -4.65 2.94 0.01 1.82 6.02 -1.01 -4.60 117.38 117.92 1n50 n GLN 11 Ca -0.01 -3.06 0.12 0.00 -0.01 0.00 0.00 57.00 54.04 1n50 n GLN 11 Cb 0.16 -2.19 0.18 0.00 1.02 0.00 0.00 30.24 29.42 1n50 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n50 n GLY 12 N -0.68 -1.23 3.60 1.08 0.00 -1.06 -4.97 105.19 101.93 1n50 n GLY 12 Ca 0.50 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1n50 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 13 N -3.04 0.48 0.46 4.61 0.00 -1.26 -5.01 121.76 118.01 1n50 s ALA 13 Ca 0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 1n50 s ALA 13 Cb 0.17 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 1n50 s ALA 13 CO 0.73 -3.35 0.98 0.00 0.00 0.00 0.00 175.76 174.12 1n50 s ALA 14 N -2.86 3.00 0.50 0.00 0.00 -1.26 -5.03 121.76 116.12 1n50 s ALA 14 Ca 0.68 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1n50 s ALA 14 Cb -0.17 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1n50 s ALA 14 CO 0.58 -0.05 1.09 0.45 0.00 0.00 0.00 175.76 177.83 1n50 s SER 15 N -2.33 6.10 0.03 0.00 0.15 -1.26 -4.89 113.70 111.51 1n50 s SER 15 Ca 0.62 2.08 0.21 0.00 0.70 0.00 0.00 55.95 59.56 1n50 s SER 15 Cb -0.11 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.52 1n50 s SER 15 CO 0.18 -0.95 1.68 0.00 1.20 0.00 0.00 173.24 175.35 1n50 n ALA 16 N -0.99 1.95 -2.08 5.45 0.00 -1.26 -4.76 120.51 118.83 1n50 n ALA 16 Ca 0.10 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 1n50 n ALA 16 Cb 0.51 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1n50 n ALA 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n50 s VAL 17 N -3.03 3.45 -0.32 0.00 1.01 -1.26 -5.00 120.40 115.24 1n50 s VAL 17 Ca 0.10 1.17 -0.23 0.00 0.00 0.00 0.00 61.98 63.01 1n50 s VAL 17 Cb 0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1n50 s VAL 17 CO 0.40 0.16 0.78 -0.62 0.00 0.00 0.00 175.10 175.82 1n50 s ASP 18 N 0.39 6.62 0.32 3.32 -1.08 -1.26 -4.93 116.67 120.05 1n50 s ASP 18 Ca 0.56 0.55 0.09 0.00 -0.52 0.00 0.00 52.55 53.24 1n50 s ASP 18 Cb -0.34 -2.40 0.90 0.00 -1.46 0.00 0.00 42.92 39.62 1n50 s ASP 18 CO 0.36 -0.65 1.69 -0.65 0.52 0.00 0.00 175.17 176.44 1n50 h PRO 19 N 8.24 0.41 0.00 4.34 0.11 -1.94 0.11 132.00 143.27 1n50 h PRO 19 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1n50 h PRO 19 Cb 1.10 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1n50 h PRO 19 CO 0.89 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 1n50 h ALA 20 N 1.77 1.00 -0.21 -0.75 0.00 -2.04 0.09 119.26 119.12 1n50 h ALA 20 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1n50 h ALA 20 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1n50 h ALA 20 CO -0.55 -0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.42 1n50 n HIS 21 N -2.95 0.26 -3.51 0.00 8.25 0.39 -4.79 115.22 112.86 1n50 n HIS 21 Ca -0.03 -0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 1n50 n HIS 21 Cb 0.07 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 1n50 n HIS 21 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1n50 s VAL 22 N -1.55 5.12 -0.14 1.59 1.01 0.02 -5.04 120.40 121.41 1n50 s VAL 22 Ca 0.30 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 1n50 s VAL 22 Cb 0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1n50 s VAL 22 CO 0.28 -0.21 0.14 0.68 0.00 0.00 0.00 175.10 175.98 1n50 s VAL 23 N 1.66 5.49 0.09 2.92 -7.23 -1.26 -4.99 120.40 117.08 1n50 s VAL 23 Ca 0.05 0.21 -0.28 0.00 -1.81 0.00 0.00 61.98 60.14 1n50 s VAL 23 Cb -0.19 -3.42 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 1n50 s VAL 23 CO 0.09 0.58 0.90 -0.60 -0.31 0.00 0.00 175.10 175.77 1n50 s ARG 24 N -0.74 4.63 -0.14 4.82 3.52 -1.26 -5.04 118.95 124.75 1n50 s ARG 24 Ca 0.14 1.33 -0.13 0.00 -0.13 0.00 0.00 55.73 56.93 1n50 s ARG 24 Cb -0.12 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 1n50 s ARG 24 CO 0.03 0.23 0.30 0.99 -0.81 0.00 0.00 175.30 176.03 1n50 s THR 25 N 0.02 5.29 -3.65 4.11 2.01 -1.26 -5.01 115.64 117.15 1n50 s THR 25 Ca 0.44 0.56 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1n50 s THR 25 Cb -0.22 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1n50 s THR 25 CO 0.28 0.43 0.00 -3.20 -0.69 0.00 0.00 174.62 171.43 1n50 n ASN 26 N 3.26 0.00 0.00 3.53 2.85 -1.26 -4.99 115.26 118.65 1n50 n ASN 26 Ca -0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1n50 n ASN 26 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1n50 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n50 n GLY 27 N 0.00 0.94 3.91 8.20 0.00 -1.26 -5.09 105.19 111.89 1n50 n GLY 27 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1n50 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 28 N -2.00 3.67 0.20 4.61 0.00 -1.26 -5.05 121.76 121.93 1n50 s ALA 28 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 1n50 s ALA 28 Cb 0.00 -2.22 -0.10 0.00 0.00 0.00 0.00 23.12 20.80 1n50 s ALA 28 CO 0.00 0.24 1.46 -1.25 0.00 0.00 0.00 175.76 176.21 1n50 s PRO 29 N -3.61 4.27 0.38 0.00 0.04 -1.26 -4.95 135.00 129.87 1n50 s PRO 29 Ca 0.42 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.45 1n50 s PRO 29 Cb -0.11 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 1n50 s PRO 29 CO 0.31 -0.46 1.45 -0.51 0.04 0.00 0.00 177.00 177.83 1n50 s ASP 30 N 0.67 6.36 -0.21 6.66 1.01 -1.26 -4.95 116.67 124.94 1n50 s ASP 30 Ca 0.63 2.98 -0.12 0.00 0.71 0.00 0.00 52.55 56.75 1n50 s ASP 30 Cb -0.41 -2.66 0.07 0.00 1.01 0.00 0.00 42.92 40.92 1n50 s ASP 30 CO 0.38 -0.86 0.51 0.00 0.21 0.00 0.00 175.17 175.41 1n50 s MET 31 N -2.09 0.50 0.95 8.23 0.23 -1.26 -5.11 119.30 120.75 1n50 s MET 31 Ca 0.53 0.94 -0.16 0.00 -1.03 0.00 0.00 55.69 55.97 1n50 s MET 31 Cb -0.45 0.04 0.24 0.00 -1.53 0.00 0.00 34.83 33.13 1n50 s MET 31 CO 0.61 -0.15 0.63 -1.13 -2.03 0.00 0.00 175.02 172.95 1n50 n SER 32 N 4.26 -2.96 -0.08 -1.18 3.41 -1.26 -4.59 113.62 111.21 1n50 n SER 32 Ca -0.22 -0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 57.55 1n50 n SER 32 Cb 0.56 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1n50 n SER 32 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1n50 h GLU 33 N 0.00 0.60 -0.38 4.33 4.81 -2.02 -0.88 114.58 121.04 1n50 h GLU 33 Ca -0.27 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1n50 h GLU 33 Cb 0.89 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 1n50 h GLU 33 CO 0.17 0.91 0.09 1.03 -0.73 0.00 0.00 179.01 180.48 1n50 h SER 34 N 0.31 0.06 0.38 1.04 0.87 -1.99 -0.81 113.55 113.40 1n50 h SER 34 Ca 0.04 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1n50 h SER 34 Cb 0.80 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1n50 h SER 34 CO 0.06 0.07 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.92 1n50 h GLU 35 N 0.23 -0.49 -0.65 2.24 5.08 -1.90 -2.52 114.58 116.58 1n50 h GLU 35 Ca 0.18 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.71 1n50 h GLU 35 Cb 0.19 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1n50 h GLU 35 CO -0.22 -0.17 -0.03 0.35 -1.00 0.00 0.00 179.01 177.94 1n50 h PHE 36 N -0.88 -0.11 -0.09 4.33 3.57 -1.03 -1.12 116.94 121.62 1n50 h PHE 36 Ca -0.05 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1n50 h PHE 36 Cb 0.54 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1n50 h PHE 36 CO 0.02 -0.20 -0.31 -0.91 -2.23 0.00 0.00 178.31 174.68 1n50 h ASN 37 N 0.09 0.17 -0.38 0.41 2.35 -1.20 -1.90 115.58 115.12 1n50 h ASN 37 Ca 0.34 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1n50 h ASN 37 Cb 0.55 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1n50 h ASN 37 CO -0.58 0.48 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.59 1n50 h GLU 38 N 0.15 0.69 -0.52 0.81 4.81 -0.76 -1.45 114.58 118.32 1n50 h GLU 38 Ca 0.02 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 1n50 h GLU 38 Cb 0.63 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1n50 h GLU 38 CO 0.05 0.79 0.03 0.00 -0.73 0.00 0.00 179.01 179.15 1n50 h ALA 39 N 0.87 0.70 -0.88 2.92 0.00 -1.34 -2.10 119.26 119.43 1n50 h ALA 39 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n50 h ALA 39 Cb 0.49 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1n50 h ALA 39 CO 0.02 0.49 0.46 -0.22 0.00 0.00 0.00 179.25 180.00 1n50 h LYS 40 N 0.77 1.24 -0.52 0.00 3.64 -1.27 0.34 116.57 120.77 1n50 h LYS 40 Ca 0.15 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1n50 h LYS 40 Cb 0.49 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1n50 h LYS 40 CO 0.02 0.92 0.09 0.37 -2.27 0.00 0.00 179.45 178.59 1n50 h GLN 41 N 1.24 0.85 -0.63 1.90 4.15 -1.05 -2.49 115.11 119.08 1n50 h GLN 41 Ca 0.31 -0.22 -0.08 0.00 0.77 0.00 0.00 58.65 59.42 1n50 h GLN 41 Cb 0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1n50 h GLN 41 CO -0.04 0.83 0.07 0.82 -1.93 0.00 0.00 178.83 178.58 1n50 h ILE 42 N 0.73 1.26 -0.21 2.39 2.04 -0.89 -2.68 117.51 120.16 1n50 h ILE 42 Ca 0.16 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1n50 h ILE 42 Cb 0.39 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1n50 h ILE 42 CO 0.01 0.39 -0.06 0.22 0.00 0.00 0.00 178.15 178.71 1n50 h TYR 43 N 0.98 -0.12 0.00 1.37 3.20 0.08 -0.39 116.97 122.09 1n50 h TYR 43 Ca 0.19 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1n50 h TYR 43 Cb 0.46 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1n50 h TYR 43 CO 0.03 -0.09 -0.63 0.74 -1.64 0.00 0.00 178.16 176.57 1n50 h PHE 44 N -0.01 0.00 -0.10 -3.82 0.04 -1.41 0.29 116.94 111.94 1n50 h PHE 44 Ca 0.10 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.63 1n50 h PHE 44 Cb 0.16 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.32 1n50 h PHE 44 CO -0.23 0.63 -0.88 1.96 -0.60 0.00 0.00 178.31 179.20 1n50 h GLN 45 N 0.00 0.75 0.00 1.51 4.20 -1.31 -3.39 115.11 116.87 1n50 h GLN 45 Ca -0.01 -0.68 -0.20 0.00 0.06 0.00 0.00 58.65 57.82 1n50 h GLN 45 Cb 1.32 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.23 1n50 h GLN 45 CO 0.08 1.28 -1.74 0.54 -0.67 0.00 0.00 178.83 178.32 1n50 n ARG 46 N -3.90 0.98 -0.11 1.46 5.12 -0.17 -4.86 116.66 115.18 1n50 n ARG 46 Ca -0.09 0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.73 1n50 n ARG 46 Cb 0.80 -1.27 -0.12 0.00 -1.16 0.00 0.00 32.46 30.71 1n50 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n50 h ALA 48 N 0.19 0.90 -0.93 0.00 0.00 -1.00 -1.39 119.26 117.02 1n50 h ALA 48 Ca -0.53 0.20 0.24 0.00 0.00 0.00 0.00 54.91 54.82 1n50 h ALA 48 Cb 1.90 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 19.87 1n50 h ALA 48 CO -0.06 -0.39 0.44 0.78 0.00 0.00 0.00 179.25 180.02 1n50 h GLY 49 N 0.19 1.67 0.00 0.00 0.00 -1.84 0.56 103.07 103.65 1n50 h GLY 49 Ca 0.42 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.34 1n50 h GLY 49 CO -0.58 -0.31 -1.21 0.00 0.00 0.00 0.00 176.54 174.44 1n50 n HIS 51 N -4.44 0.21 -0.04 0.00 8.25 -0.58 -2.24 115.22 116.38 1n50 n HIS 51 Ca -0.31 0.06 0.01 0.00 -0.26 0.00 0.00 57.72 57.22 1n50 n HIS 51 Cb 0.66 -0.60 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 1n50 n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n50 n GLY 52 N 1.43 -1.76 0.20 -1.41 0.00 0.19 -0.99 105.19 102.86 1n50 n GLY 52 Ca 0.07 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1n50 n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n50 h VAL 53 N -0.04 1.34 -0.56 1.61 2.07 -1.97 -3.03 116.25 115.66 1n50 h VAL 53 Ca -0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1n50 h VAL 53 Cb 0.04 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1n50 h VAL 53 CO 0.00 0.59 0.00 0.18 0.02 0.00 0.00 177.57 178.36 1n50 n LEU 54 N -3.91 4.01 -1.86 2.57 4.77 -1.26 -4.84 117.00 116.48 1n50 n LEU 54 Ca -0.04 -2.26 -0.17 0.00 -0.03 0.00 0.00 56.01 53.51 1n50 n LEU 54 Cb 0.64 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1n50 n LEU 54 CO 0.47 0.83 -0.21 0.54 -1.33 0.00 0.00 177.39 177.70 1n50 n ARG 55 N 0.97 -1.32 -0.44 3.23 1.74 -1.15 -4.82 116.66 114.88 1n50 n ARG 55 Ca 0.22 0.83 0.07 0.00 -0.77 0.00 0.00 57.85 58.19 1n50 n ARG 55 Cb 0.70 -5.24 0.12 0.00 -1.02 0.00 0.00 32.46 27.03 1n50 n ARG 55 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n50 n LYS 56 N -2.59 1.00 0.06 5.56 5.02 -0.77 -1.65 118.16 124.79 1n50 n LYS 56 Ca -0.20 -2.43 0.05 0.00 -2.02 0.00 0.00 58.31 53.71 1n50 n LYS 56 Cb 0.64 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.41 1n50 n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n50 n GLY 57 N -0.89 -1.32 3.97 0.72 0.00 -0.16 -4.94 105.19 102.56 1n50 n GLY 57 Ca 0.13 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1n50 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 58 N -3.14 3.79 0.74 4.61 0.00 -0.95 -4.80 121.76 122.02 1n50 s ALA 58 Ca -0.02 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1n50 s ALA 58 Cb 0.09 -2.12 0.04 0.00 0.00 0.00 0.00 23.12 21.13 1n50 s ALA 58 CO 0.80 -0.93 1.08 0.95 0.00 0.00 0.00 175.76 177.67 1n50 s THR 59 N -2.88 3.49 0.00 0.00 -4.23 -1.26 -4.87 115.64 105.90 1n50 s THR 59 Ca 0.59 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1n50 s THR 59 Cb -0.10 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1n50 s THR 59 CO 0.40 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1n50 n GLY 60 N -2.26 -2.03 3.77 3.99 0.00 -1.26 -4.88 105.19 102.52 1n50 n GLY 60 Ca 0.07 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1n50 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 s LYS 61 N 0.00 4.44 0.84 1.61 1.02 -1.26 -5.02 119.74 121.38 1n50 s LYS 61 Ca 0.00 2.09 -0.11 0.00 0.02 0.00 0.00 55.97 57.97 1n50 s LYS 61 Cb 0.00 -3.11 0.10 0.00 -0.52 0.00 0.00 37.83 34.30 1n50 s LYS 61 CO 0.00 -0.07 1.09 -1.25 -0.92 0.00 0.00 175.35 174.21 1n50 s PRO 62 N -1.62 1.67 -0.58 -1.68 0.04 -1.26 -4.96 135.00 126.61 1n50 s PRO 62 Ca 0.48 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 1n50 s PRO 62 Cb -0.37 -1.84 0.50 0.00 0.04 0.00 0.00 34.50 32.83 1n50 s PRO 62 CO 0.49 -2.02 1.99 1.28 0.04 0.00 0.00 177.00 178.78 1n50 n LEU 63 N -3.76 7.30 -4.86 -3.56 4.77 -0.66 -4.67 117.00 111.56 1n50 n LEU 63 Ca 0.08 -3.99 -0.32 0.00 -0.03 0.00 0.00 56.01 51.75 1n50 n LEU 63 Cb 0.54 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1n50 n LEU 63 CO 0.54 1.31 0.45 0.42 -1.33 0.00 0.00 177.39 178.79 1n50 s THR 64 N -4.17 4.69 0.61 -5.08 -4.23 -1.26 -4.80 115.64 101.41 1n50 s THR 64 Ca 0.60 0.88 0.27 0.00 -1.18 0.00 0.00 61.69 62.26 1n50 s THR 64 Cb 0.48 -3.65 0.35 0.00 1.34 0.00 0.00 72.50 71.02 1n50 s THR 64 CO 0.03 -0.32 1.75 1.55 -0.54 0.00 0.00 174.62 177.08 1n50 h PRO 65 N 1.85 0.00 -0.12 3.99 0.13 -1.79 -0.07 132.00 136.00 1n50 h PRO 65 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1n50 h PRO 65 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1n50 h PRO 65 CO 0.64 0.00 -0.41 0.38 -0.23 0.00 0.00 178.00 178.38 1n50 h ASP 66 N 0.00 0.27 0.03 1.44 2.03 -1.93 -2.48 116.42 115.79 1n50 h ASP 66 Ca 0.22 -0.11 -0.24 0.00 -0.73 0.00 0.00 57.03 56.16 1n50 h ASP 66 Cb 1.45 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 39.85 1n50 h ASP 66 CO -0.00 0.66 -1.33 0.40 -1.03 0.00 0.00 179.24 177.94 1n50 h ILE 67 N 0.22 0.93 -0.94 4.15 1.08 -1.33 -3.33 117.51 118.28 1n50 h ILE 67 Ca 0.02 -2.23 0.02 0.00 -0.39 0.00 0.00 64.86 62.27 1n50 h ILE 67 Cb 0.83 2.38 -0.05 0.00 -3.07 0.00 0.00 36.82 36.90 1n50 h ILE 67 CO 0.07 0.46 0.62 0.71 -0.69 0.00 0.00 178.15 179.31 1n50 h THR 68 N -0.76 1.21 0.00 -0.27 1.35 -1.48 -1.26 112.91 111.70 1n50 h THR 68 Ca -0.34 -0.42 -0.10 0.00 -0.55 0.00 0.00 66.41 65.00 1n50 h THR 68 Cb 1.45 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1n50 h THR 68 CO -0.13 0.22 -0.47 1.56 -0.25 0.00 0.00 175.52 176.46 1n50 h GLN 69 N 1.23 0.00 0.10 4.72 4.20 -1.65 0.11 115.11 123.82 1n50 h GLN 69 Ca 0.36 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1n50 h GLN 69 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1n50 h GLN 69 CO -0.09 0.47 -0.05 0.37 -0.67 0.00 0.00 178.83 178.86 1n50 h GLN 70 N 0.00 -0.12 -0.16 1.46 4.15 -1.46 -3.14 115.11 115.84 1n50 h GLN 70 Ca -0.00 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1n50 h GLN 70 Cb 0.93 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1n50 h GLN 70 CO 0.06 0.23 0.09 0.00 -1.93 0.00 0.00 178.83 177.28 1n50 h ARG 71 N -0.49 0.22 0.00 1.69 2.47 -1.07 -3.49 114.38 113.71 1n50 h ARG 71 Ca -0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1n50 h ARG 71 Cb 0.41 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1n50 h ARG 71 CO 0.02 0.21 0.00 0.41 0.56 0.00 0.00 179.97 181.17 1n50 n GLY 72 N -0.97 0.63 0.29 0.04 0.00 0.38 -4.37 105.19 101.19 1n50 n GLY 72 Ca -0.04 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 1n50 n GLY 72 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n50 h GLN 73 N 0.00 -0.30 -0.34 1.61 1.08 -1.90 -2.25 115.11 113.01 1n50 h GLN 73 Ca 0.00 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1n50 h GLN 73 Cb 0.00 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 1n50 h GLN 73 CO 0.00 -0.20 -0.41 1.96 -0.95 0.00 0.00 178.83 179.23 1n50 h GLN 74 N -0.31 -0.34 -0.28 1.46 4.20 -1.99 0.41 115.11 118.25 1n50 h GLN 74 Ca 0.03 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1n50 h GLN 74 Cb 0.40 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 1n50 h GLN 74 CO -0.32 -0.23 -0.01 -0.92 -0.67 0.00 0.00 178.83 176.68 1n50 h TYR 75 N -0.35 -0.03 0.20 2.96 5.03 -1.75 -0.92 116.97 122.10 1n50 h TYR 75 Ca 0.13 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1n50 h TYR 75 Cb 0.59 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.92 1n50 h TYR 75 CO -0.58 -0.06 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.03 1n50 h LEU 76 N 0.07 -0.27 -0.99 2.82 3.38 -0.97 0.04 115.31 119.39 1n50 h LEU 76 Ca 0.14 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1n50 h LEU 76 Cb 0.18 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1n50 h LEU 76 CO -0.24 -0.18 0.62 -0.33 0.09 0.00 0.00 178.44 178.40 1n50 h GLU 77 N -0.29 0.92 -0.37 1.13 5.08 -0.71 -0.58 114.58 119.76 1n50 h GLU 77 Ca -0.02 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1n50 h GLU 77 Cb 0.23 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1n50 h GLU 77 CO 0.03 0.61 -0.03 0.00 -1.00 0.00 0.00 179.01 178.61 1n50 h ALA 78 N 1.55 0.50 -0.19 3.43 0.00 -0.85 -0.77 119.26 122.93 1n50 h ALA 78 Ca 0.51 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1n50 h ALA 78 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1n50 h ALA 78 CO -0.29 0.31 -0.02 1.25 0.00 0.00 0.00 179.25 180.50 1n50 h LEU 79 N 0.49 0.35 -1.44 0.00 6.46 -0.47 -2.22 115.31 118.48 1n50 h LEU 79 Ca 0.10 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 1n50 h LEU 79 Cb 0.52 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1n50 h LEU 79 CO 0.03 0.60 -0.05 0.40 -0.62 0.00 0.00 178.44 178.80 1n50 h ILE 80 N 0.10 1.16 -0.26 4.05 2.04 -1.07 0.46 117.51 123.98 1n50 h ILE 80 Ca 0.05 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 1n50 h ILE 80 Cb 0.43 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1n50 h ILE 80 CO 0.01 0.21 -0.21 0.74 0.00 0.00 0.00 178.15 178.91 1n50 h THR 81 N 0.30 1.31 0.00 -0.27 2.02 -0.97 -0.35 112.91 114.95 1n50 h THR 81 Ca 0.07 -1.35 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 1n50 h THR 81 Cb 0.28 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1n50 h THR 81 CO 0.01 0.42 -1.80 -1.22 0.37 0.00 0.00 175.52 173.31 1n50 n TYR 82 N -4.38 0.00 -4.17 3.16 4.01 -0.85 -1.29 117.16 113.65 1n50 n TYR 82 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1n50 n TYR 82 Cb 0.41 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1n50 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n50 n GLY 83 N 1.71 -1.54 3.12 2.72 0.00 0.16 -4.18 105.19 107.17 1n50 n GLY 83 Ca -0.08 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 1n50 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n50 s THR 84 N 0.00 0.10 -1.89 2.61 -4.23 0.12 -4.90 115.64 107.45 1n50 s THR 84 Ca 0.00 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1n50 s THR 84 Cb 0.00 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1n50 s THR 84 CO 0.00 -0.46 0.57 -0.81 -0.54 0.00 0.00 174.62 173.38 1n50 n PRO 85 N 1.17 0.60 -0.45 3.99 -0.04 -1.26 -2.81 135.00 136.19 1n50 n PRO 85 Ca -0.21 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1n50 n PRO 85 Cb 0.57 -1.03 0.25 0.00 -0.04 0.00 0.00 33.50 33.24 1n50 n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n50 n LEU 86 N -0.42 3.81 0.00 1.53 4.77 -1.26 -4.93 117.00 120.50 1n50 n LEU 86 Ca 0.00 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1n50 n LEU 86 Cb 0.02 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1n50 n LEU 86 CO 0.00 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1n50 n GLY 87 N -0.64 0.94 3.40 -0.72 0.00 -1.19 -5.05 105.19 101.93 1n50 n GLY 87 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1n50 n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n50 s MET 88 N -0.32 3.06 0.89 1.61 0.00 -1.12 -4.98 119.30 118.45 1n50 s MET 88 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 55.69 54.41 1n50 s MET 88 Cb 0.00 -4.17 0.09 0.00 0.00 0.00 0.00 34.83 30.74 1n50 s MET 88 CO 0.00 -1.30 0.88 -0.35 0.00 0.00 0.00 175.02 174.25 1n50 n PRO 89 N 6.00 -0.23 -3.39 4.11 -0.04 -1.26 0.16 135.00 140.35 1n50 n PRO 89 Ca -0.09 -0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 1n50 n PRO 89 Cb 0.44 -2.19 -0.08 0.00 -0.04 0.00 0.00 33.50 31.63 1n50 n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n50 s ASN 90 N -2.26 6.35 -0.04 3.54 4.22 -1.26 -3.99 114.94 121.51 1n50 s ASN 90 Ca 0.65 0.41 0.22 0.00 -2.14 0.00 0.00 52.86 51.99 1n50 s ASN 90 Cb -0.24 -2.22 -0.32 0.00 1.28 0.00 0.00 41.25 39.75 1n50 s ASN 90 CO 0.60 -0.13 0.46 0.79 -2.04 0.00 0.00 177.10 176.78 1n50 n TRP 91 N 4.88 0.05 -0.10 1.54 7.02 -0.14 -4.18 117.44 126.51 1n50 n TRP 91 Ca -0.08 0.01 -0.16 0.00 -1.02 0.00 0.00 57.50 56.25 1n50 n TRP 91 Cb 0.51 -0.57 -0.07 0.00 -2.42 0.00 0.00 31.31 28.76 1n50 n TRP 91 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1n50 n GLY 92 N 1.31 -0.79 0.37 6.99 0.00 -0.41 -1.68 105.19 110.97 1n50 n GLY 92 Ca -0.07 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.07 1n50 n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n50 h SER 93 N -1.00 0.00 0.98 1.61 0.02 -1.59 0.29 113.55 113.85 1n50 h SER 93 Ca -0.24 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1n50 h SER 93 Cb 1.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1n50 h SER 93 CO -0.15 0.00 -1.08 0.77 -1.14 0.00 0.00 176.83 175.23 1n50 h SER 94 N 0.00 0.00 0.00 3.07 4.64 -1.76 -3.48 113.55 116.02 1n50 h SER 94 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1n50 h SER 94 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1n50 h SER 94 CO -0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1n50 n GLY 95 N 1.29 0.74 0.15 -0.77 0.00 0.09 -4.97 105.19 101.72 1n50 n GLY 95 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1n50 n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n50 h GLU 96 N 3.76 0.45 -6.10 1.61 4.39 -1.74 -3.44 114.58 113.51 1n50 h GLU 96 Ca 0.00 -0.04 -0.55 0.00 0.34 0.00 0.00 59.36 59.11 1n50 h GLU 96 Cb 0.00 -0.09 -0.20 0.00 -0.10 0.00 0.00 28.75 28.36 1n50 h GLU 96 CO 0.00 0.34 -0.81 -0.51 -1.16 0.00 0.00 179.01 176.87 1n50 s LEU 97 N -10.07 2.37 0.65 1.33 1.43 -0.68 -5.07 118.68 108.64 1n50 s LEU 97 Ca -0.13 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1n50 s LEU 97 Cb 0.10 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1n50 s LEU 97 CO 0.72 0.02 1.01 -0.94 0.23 0.00 0.00 176.35 177.39 1n50 s SER 98 N -2.30 5.61 0.39 2.29 1.04 -1.26 -4.55 113.70 114.92 1n50 s SER 98 Ca 0.12 1.02 0.08 0.00 0.48 0.00 0.00 55.95 57.65 1n50 s SER 98 Cb -0.08 -1.93 0.78 0.00 0.10 0.00 0.00 66.02 64.90 1n50 s SER 98 CO 0.06 -1.17 1.95 0.50 0.98 0.00 0.00 173.24 175.55 1n50 h LYS 99 N -0.43 0.34 -0.52 4.02 1.63 -1.97 -1.08 116.57 118.56 1n50 h LYS 99 Ca -0.45 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.22 1n50 h LYS 99 Cb 1.25 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 1n50 h LYS 99 CO 0.63 0.39 0.06 0.93 -3.45 0.00 0.00 179.45 178.00 1n50 h GLU 100 N 0.33 0.89 -0.43 1.90 3.07 -1.99 -0.78 114.58 117.57 1n50 h GLU 100 Ca 0.08 -0.25 -0.13 0.00 -0.50 0.00 0.00 59.36 58.55 1n50 h GLU 100 Cb 0.26 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1n50 h GLU 100 CO 0.01 0.88 -0.24 1.96 -1.40 0.00 0.00 179.01 180.22 1n50 h GLN 101 N 0.77 0.92 -0.34 2.33 4.20 -1.82 -2.31 115.11 118.84 1n50 h GLN 101 Ca 0.16 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 1n50 h GLN 101 Cb 0.44 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1n50 h GLN 101 CO 0.02 1.07 -0.09 0.82 -0.67 0.00 0.00 178.83 179.97 1n50 h ILE 102 N 0.75 1.23 -0.43 2.54 2.04 -1.04 -0.07 117.51 122.54 1n50 h ILE 102 Ca 0.09 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1n50 h ILE 102 Cb 0.82 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1n50 h ILE 102 CO 0.07 0.34 -0.01 0.74 0.00 0.00 0.00 178.15 179.29 1n50 h THR 103 N 0.54 1.23 -0.37 -0.27 2.02 -0.97 -0.26 112.91 114.83 1n50 h THR 103 Ca 0.10 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 1n50 h THR 103 Cb 0.49 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1n50 h THR 103 CO 0.03 0.33 -0.02 -0.07 0.37 0.00 0.00 175.52 176.16 1n50 h LEU 104 N 0.65 0.67 -0.56 2.58 3.38 -0.83 -2.14 115.31 119.07 1n50 h LEU 104 Ca 0.13 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1n50 h LEU 104 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1n50 h LEU 104 CO 0.02 0.83 0.16 0.24 0.09 0.00 0.00 178.44 179.78 1n50 h MET 105 N 0.49 0.88 -0.35 1.13 2.86 -0.68 0.44 114.93 119.69 1n50 h MET 105 Ca 0.10 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1n50 h MET 105 Cb 0.50 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1n50 h MET 105 CO 0.02 0.81 0.21 0.00 1.06 0.00 0.00 176.91 179.01 1n50 h ALA 106 N 1.03 1.72 -0.02 6.32 0.00 -0.88 -1.58 119.26 125.85 1n50 h ALA 106 Ca 0.18 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1n50 h ALA 106 Cb 0.31 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n50 h ALA 106 CO -0.00 0.25 -0.96 0.87 0.00 0.00 0.00 179.25 179.41 1n50 h LYS 107 N 0.48 0.69 0.06 0.00 1.57 -1.06 -3.33 116.57 114.97 1n50 h LYS 107 Ca 0.13 -0.71 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1n50 h LYS 107 Cb -0.02 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1n50 h LYS 107 CO -0.02 1.30 -0.05 -0.92 -0.57 0.00 0.00 179.45 179.18 1n50 h TYR 108 N 0.36 -0.12 0.00 -1.35 3.20 -0.37 -2.19 116.97 116.51 1n50 h TYR 108 Ca -0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1n50 h TYR 108 Cb 1.62 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.93 1n50 h TYR 108 CO 0.11 -0.08 0.00 0.44 -1.64 0.00 0.00 178.16 176.99 1n50 n ILE 109 N -5.15 0.00 1.15 1.81 -5.35 -0.65 -1.86 119.36 109.32 1n50 n ILE 109 Ca -0.07 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 1n50 n ILE 109 Cb 0.08 -0.75 0.22 0.00 -1.74 0.00 0.00 39.64 37.45 1n50 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n50 n GLN 110 N -0.99 1.16 -3.99 6.28 6.02 -0.82 -4.08 117.38 120.96 1n50 n GLN 110 Ca 0.12 -0.84 -0.22 0.00 -0.01 0.00 0.00 57.00 56.05 1n50 n GLN 110 Cb 0.05 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1n50 n GLN 110 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1n50 s HIS 111 N -2.42 3.40 0.32 1.08 3.76 -0.78 -4.50 115.29 116.16 1n50 s HIS 111 Ca 0.23 -0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 1n50 s HIS 111 Cb 0.19 -1.56 -0.11 0.00 1.11 0.00 0.00 32.58 32.21 1n50 s HIS 111 CO 0.51 0.46 1.49 0.99 -0.85 0.00 0.00 174.74 177.34 1n50 s THR 112 N -1.97 2.25 0.05 1.30 2.01 -1.26 -4.49 115.64 113.52 1n50 s THR 112 Ca 0.34 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1n50 s THR 112 Cb -0.09 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 1n50 s THR 112 CO 0.28 0.05 1.89 -2.84 -0.69 0.00 0.00 174.62 173.31 1n50 s PRO 113 N -1.28 4.15 0.38 4.92 0.02 -1.26 -4.93 135.00 136.99 1n50 s PRO 113 Ca 0.57 2.55 -0.27 0.00 0.02 0.00 0.00 61.00 63.86 1n50 s PRO 113 Cb -0.45 -4.00 -0.11 0.00 0.02 0.00 0.00 34.50 29.96 1n50 s PRO 113 CO 0.54 -0.91 1.33 -2.30 -0.33 0.00 0.00 177.00 175.33 1n50 n PRO 114 N 7.02 2.18 -3.26 5.54 -0.02 -1.26 -4.94 135.00 140.26 1n50 n PRO 114 Ca 0.19 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 62.05 1n50 n PRO 114 Cb 0.41 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 1n50 n PRO 114 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1n50 s GLN 115 N -2.06 4.22 0.49 -0.52 -1.52 -1.26 -4.94 119.66 114.07 1n50 s GLN 115 Ca 0.57 0.42 -0.13 0.00 -1.95 0.00 0.00 55.36 54.28 1n50 s GLN 115 Cb -0.52 -3.54 -0.06 0.00 -0.22 0.00 0.00 33.01 28.66 1n50 s GLN 115 CO 0.61 -0.09 0.90 -2.14 -0.25 0.00 0.00 175.29 174.32 1n50 s PRO 116 N 1.43 3.80 0.74 2.91 0.02 -1.26 -5.03 135.00 137.61 1n50 s PRO 116 Ca 0.24 0.68 -0.14 0.00 0.02 0.00 0.00 61.00 61.81 1n50 s PRO 116 Cb -0.15 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1n50 s PRO 116 CO 0.10 -0.23 1.15 -1.25 -0.33 0.00 0.00 177.00 176.44 1n50 s PRO 117 N -4.22 2.18 0.92 5.54 0.04 -1.26 -5.04 135.00 133.16 1n50 s PRO 117 Ca 0.55 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1n50 s PRO 117 Cb -0.10 -1.86 0.19 0.00 0.04 0.00 0.00 34.50 32.77 1n50 s PRO 117 CO 0.36 -1.75 1.26 -1.21 0.04 0.00 0.00 177.00 175.70 1n50 s GLU 118 N -4.22 0.77 -0.46 4.56 0.41 -1.26 -4.80 118.70 113.71 1n50 s GLU 118 Ca 0.69 -0.64 0.06 0.00 -0.41 0.00 0.00 54.97 54.66 1n50 s GLU 118 Cb -0.24 -1.96 0.18 0.00 -1.78 0.00 0.00 34.13 30.33 1n50 s GLU 118 CO 0.48 -2.26 0.55 -0.46 -0.49 0.00 0.00 175.26 173.08 1n50 s TRP 119 N -3.74 -0.59 0.00 1.61 -0.11 -1.26 -5.01 118.94 109.85 1n50 s TRP 119 Ca 0.73 -1.11 0.00 0.00 1.22 0.00 0.00 56.10 56.94 1n50 s TRP 119 Cb -0.03 -0.17 0.00 0.00 -1.50 0.00 0.00 33.47 31.77 1n50 s TRP 119 CO 0.51 -1.09 0.00 0.41 -4.62 0.00 0.00 176.95 172.17 1n50 n GLY 120 N 3.19 0.88 0.35 5.86 0.00 -1.26 -4.83 105.19 109.38 1n50 n GLY 120 Ca 0.20 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.41 1n50 n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1n50 h MET 121 N 0.00 0.79 -0.44 1.61 4.05 -2.00 -0.69 114.93 118.25 1n50 h MET 121 Ca 0.00 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 1n50 h MET 121 Cb 0.00 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1n50 h MET 121 CO 0.00 0.52 -0.13 -1.35 0.23 0.00 0.00 176.91 176.19 1n50 h PRO 122 N 0.81 0.81 -0.35 0.39 0.11 -1.99 -0.21 132.00 131.58 1n50 h PRO 122 Ca 0.55 -0.28 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 1n50 h PRO 122 Cb 0.77 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1n50 h PRO 122 CO -0.35 0.90 -0.40 0.93 -0.21 0.00 0.00 178.00 178.87 1n50 h GLU 123 N 0.73 0.84 -0.01 1.05 3.07 -1.80 -2.05 114.58 116.41 1n50 h GLU 123 Ca 0.12 -0.45 -0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1n50 h GLU 123 Cb 0.62 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1n50 h GLU 123 CO 0.04 1.08 0.00 0.52 -1.40 0.00 0.00 179.01 179.26 1n50 h MET 124 N 0.69 0.01 -0.54 2.33 2.86 -0.93 -2.11 114.93 117.24 1n50 h MET 124 Ca 0.05 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1n50 h MET 124 Cb 0.97 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1n50 h MET 124 CO 0.09 0.19 0.08 0.00 1.06 0.00 0.00 176.91 178.33 1n50 h ARG 125 N -0.16 0.86 -0.65 1.72 3.08 -1.04 -1.26 114.38 116.93 1n50 h ARG 125 Ca 0.00 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 59.90 1n50 h ARG 125 Cb 0.18 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1n50 h ARG 125 CO -0.00 0.81 0.37 1.49 -1.07 0.00 0.00 179.97 181.57 1n50 h GLU 126 N 0.82 0.67 0.00 0.04 4.57 -1.29 -2.22 114.58 117.16 1n50 h GLU 126 Ca 0.17 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1n50 h GLU 126 Cb 0.37 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1n50 h GLU 126 CO 0.01 0.44 0.00 -1.13 -1.18 0.00 0.00 179.01 177.15 1n50 n SER 127 N -4.78 0.73 -4.73 1.04 3.41 -0.79 -4.82 113.62 103.68 1n50 n SER 127 Ca 0.08 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.86 1n50 n SER 127 Cb 0.16 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 1n50 n SER 127 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1n50 s TRP 128 N -3.13 3.51 -0.02 7.33 -0.00 -0.54 -4.23 118.94 121.86 1n50 s TRP 128 Ca 0.10 1.50 -0.04 0.00 -0.00 0.00 0.00 56.10 57.66 1n50 s TRP 128 Cb 0.12 -3.35 0.00 0.00 -0.00 0.00 0.00 33.47 30.25 1n50 s TRP 128 CO 0.56 -0.91 0.09 0.15 -0.00 0.00 0.00 176.95 176.84 1n50 s LYS 129 N -0.12 0.21 -0.31 5.86 1.02 0.03 -4.99 119.74 121.44 1n50 s LYS 129 Ca 0.52 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1n50 s LYS 129 Cb -0.30 0.09 0.07 0.00 -0.52 0.00 0.00 37.83 37.17 1n50 s LYS 129 CO 0.35 -0.04 -0.00 0.08 -0.92 0.00 0.00 175.35 174.82 1n50 s VAL 130 N -0.39 2.59 0.13 3.17 1.01 -1.26 -1.39 120.40 124.25 1n50 s VAL 130 Ca -0.05 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.15 1n50 s VAL 130 Cb -0.03 -2.63 -0.19 0.00 0.00 0.00 0.00 36.38 33.53 1n50 s VAL 130 CO 0.00 -0.26 1.29 -0.07 0.00 0.00 0.00 175.10 176.07 1n50 h LEU 131 N 7.84 0.41 -7.19 3.92 3.38 -0.96 -3.43 115.31 119.28 1n50 h LEU 131 Ca -0.16 -0.36 -0.39 0.00 0.09 0.00 0.00 57.88 57.06 1n50 h LEU 131 Cb 1.04 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 41.27 1n50 h LEU 131 CO 0.52 1.18 -0.73 -0.69 0.09 0.00 0.00 178.44 178.82 1n50 s VAL 132 N -3.11 -0.12 0.54 1.22 1.01 -0.64 -4.99 120.40 114.31 1n50 s VAL 132 Ca -0.04 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1n50 s VAL 132 Cb 0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1n50 s VAL 132 CO 0.86 0.00 1.27 -0.54 0.00 0.00 0.00 175.10 176.69 1n50 s LYS 133 N 2.18 3.25 0.56 2.72 1.02 -1.26 -4.82 119.74 123.39 1n50 s LYS 133 Ca 0.04 2.01 0.29 0.00 0.02 0.00 0.00 55.97 58.33 1n50 s LYS 133 Cb -0.14 -2.21 1.47 0.00 -0.52 0.00 0.00 37.83 36.44 1n50 s LYS 133 CO -0.06 -1.04 1.92 -1.35 -0.92 0.00 0.00 175.35 173.91 1n50 h PRO 134 N 1.45 0.00 -0.11 -1.68 0.11 -1.96 0.32 132.00 130.13 1n50 h PRO 134 Ca -0.50 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.40 1n50 h PRO 134 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1n50 h PRO 134 CO 0.57 0.00 -0.77 0.93 -0.21 0.00 0.00 178.00 178.52 1n50 h GLU 135 N 0.00 0.59 -0.01 1.05 3.07 -2.00 -3.19 114.58 114.08 1n50 h GLU 135 Ca 0.27 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1n50 h GLU 135 Cb 1.27 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1n50 h GLU 135 CO -0.00 1.11 0.00 -0.25 -1.40 0.00 0.00 179.01 178.47 1n50 n ASP 136 N -3.88 0.58 -4.87 1.42 8.00 0.07 -4.89 116.55 112.98 1n50 n ASP 136 Ca -0.06 -1.21 -0.31 0.00 0.71 0.00 0.00 54.79 53.91 1n50 n ASP 136 Cb 0.74 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1n50 n ASP 136 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1n50 s ARG 137 N -1.99 3.83 0.57 -1.24 0.52 -1.01 -4.92 118.95 114.71 1n50 s ARG 137 Ca 0.43 0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 55.81 1n50 s ARG 137 Cb 0.21 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 1n50 s ARG 137 CO 0.35 0.21 1.05 -2.30 0.02 0.00 0.00 175.30 174.63 1n50 n PRO 138 N -0.47 1.10 0.01 3.54 -0.02 -1.26 -4.92 135.00 132.99 1n50 n PRO 138 Ca 0.01 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1n50 n PRO 138 Cb 0.53 -2.23 0.25 0.00 -0.02 0.00 0.00 33.50 32.03 1n50 n PRO 138 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1n50 n LYS 139 N -0.89 0.06 -3.92 -0.52 4.76 -1.26 -4.94 118.16 111.46 1n50 n LYS 139 Ca 0.13 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.49 1n50 n LYS 139 Cb 0.46 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 1n50 n LYS 139 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1n50 s LYS 140 N -3.04 1.81 -0.03 1.97 -2.85 -1.26 -5.13 119.74 111.22 1n50 s LYS 140 Ca 0.10 -1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 1n50 s LYS 140 Cb 0.17 0.55 -0.06 0.00 -2.06 0.00 0.00 37.83 36.43 1n50 s LYS 140 CO 0.70 -0.81 1.73 -1.14 0.10 0.00 0.00 175.35 175.93 1n50 s GLN 141 N -3.55 4.17 -0.14 1.78 0.74 -1.26 -4.82 119.66 116.58 1n50 s GLN 141 Ca 0.17 2.28 0.17 0.00 0.05 0.00 0.00 55.36 58.03 1n50 s GLN 141 Cb -0.04 -4.03 0.73 0.00 1.10 0.00 0.00 33.01 30.77 1n50 s GLN 141 CO 0.10 -0.88 1.63 1.28 -0.55 0.00 0.00 175.29 176.87 1n50 n LEU 142 N 7.25 4.89 -4.26 3.68 4.77 0.13 -4.92 117.00 128.54 1n50 n LEU 142 Ca 0.18 -2.47 -0.14 0.00 -0.03 0.00 0.00 56.01 53.55 1n50 n LEU 142 Cb 0.42 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1n50 n LEU 142 CO 0.64 0.75 -0.28 0.54 -1.33 0.00 0.00 177.39 177.70 1n50 s ASN 143 N -0.84 1.00 -0.30 -1.43 2.20 -1.26 -4.30 114.94 110.01 1n50 s ASN 143 Ca 0.51 -1.30 0.10 0.00 -0.94 0.00 0.00 52.86 51.23 1n50 s ASN 143 Cb 0.34 0.18 0.59 0.00 -2.00 0.00 0.00 41.25 40.36 1n50 s ASN 143 CO 0.22 -0.69 1.60 -0.90 -2.94 0.00 0.00 177.10 174.39 1n50 n ASP 144 N -0.33 3.46 -4.78 3.54 5.75 -1.26 -5.01 116.55 117.92 1n50 n ASP 144 Ca -0.03 -3.47 -0.36 0.00 -0.01 0.00 0.00 54.79 50.92 1n50 n ASP 144 Cb 0.65 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 1n50 n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1n50 s LEU 145 N -3.11 4.01 -1.26 -2.12 1.43 -1.26 -4.96 118.68 111.41 1n50 s LEU 145 Ca 0.48 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.54 1n50 s LEU 145 Cb 0.41 -4.31 0.12 0.00 0.03 0.00 0.00 46.19 42.44 1n50 s LEU 145 CO 0.06 -0.75 1.60 -0.67 0.23 0.00 0.00 176.35 176.82 1n50 n ASP 146 N -0.49 5.07 -0.37 2.29 -0.08 -1.26 -4.87 116.55 116.85 1n50 n ASP 146 Ca 0.07 -2.95 0.02 0.00 -1.51 0.00 0.00 54.79 50.42 1n50 n ASP 146 Cb 0.50 -1.66 0.16 0.00 2.34 0.00 0.00 41.12 42.47 1n50 n ASP 146 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1n50 h LEU 147 N 11.03 1.06 -1.65 -2.67 3.38 -1.97 -2.58 115.31 121.91 1n50 h LEU 147 Ca 0.39 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1n50 h LEU 147 Cb 0.86 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1n50 h LEU 147 CO 1.36 0.69 0.29 -0.65 0.09 0.00 0.00 178.44 180.22 1n50 h PRO 148 N 1.20 0.44 -0.33 1.13 0.11 -1.94 -2.16 132.00 130.46 1n50 h PRO 148 Ca 0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1n50 h PRO 148 Cb 0.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1n50 h PRO 148 CO -0.16 0.29 0.00 -1.71 -0.21 0.00 0.00 178.00 176.21 1n50 n ASN 149 N -4.48 2.30 -4.78 -2.05 5.15 -0.98 -1.39 115.26 109.04 1n50 n ASN 149 Ca 0.05 -1.88 -0.35 0.00 -0.60 0.00 0.00 54.58 51.80 1n50 n ASN 149 Cb 0.17 -0.21 -0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1n50 n ASN 149 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1n50 s LEU 150 N -1.32 3.80 -0.18 1.20 2.96 -0.81 -2.86 118.68 121.48 1n50 s LEU 150 Ca 0.33 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 56.41 1n50 s LEU 150 Cb 0.18 -4.53 0.02 0.00 0.50 0.00 0.00 46.19 42.36 1n50 s LEU 150 CO 0.25 -1.12 -0.20 -0.36 -1.32 0.00 0.00 176.35 173.60 1n50 s PHE 151 N -1.77 2.77 -0.31 5.38 0.40 -0.52 -1.60 117.98 122.33 1n50 s PHE 151 Ca 0.71 -1.63 -0.22 0.00 -0.60 0.00 0.00 56.93 55.19 1n50 s PHE 151 Cb -0.24 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.38 1n50 s PHE 151 CO 0.27 -0.80 0.70 0.45 0.70 0.00 0.00 175.22 176.54 1n50 s SER 152 N 1.27 6.56 -0.01 1.36 0.15 0.17 -1.16 113.70 122.04 1n50 s SER 152 Ca 0.04 0.49 0.08 0.00 0.70 0.00 0.00 55.95 57.27 1n50 s SER 152 Cb -0.13 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1n50 s SER 152 CO -0.12 -0.55 -0.26 -0.69 1.20 0.00 0.00 173.24 172.81 1n50 s VAL 153 N 2.78 2.08 -0.27 4.45 1.01 0.20 -0.73 120.40 129.92 1n50 s VAL 153 Ca 0.28 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1n50 s VAL 153 Cb -0.14 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1n50 s VAL 153 CO 0.13 0.54 0.67 -0.89 0.00 0.00 0.00 175.10 175.55 1n50 s THR 154 N -0.65 4.94 -1.14 3.92 2.01 -0.69 0.90 115.64 124.92 1n50 s THR 154 Ca 0.10 1.15 -0.06 0.00 0.31 0.00 0.00 61.69 63.20 1n50 s THR 154 Cb -0.10 -3.99 0.27 0.00 0.01 0.00 0.00 72.50 68.69 1n50 s THR 154 CO -0.00 -0.04 1.62 0.18 -0.69 0.00 0.00 174.62 175.68 1n50 n LEU 155 N 5.83 6.54 0.00 4.42 4.77 -0.44 -2.02 117.00 136.09 1n50 n LEU 155 Ca 0.01 -5.05 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1n50 n LEU 155 Cb 0.49 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1n50 n LEU 155 CO 0.45 1.61 0.09 -1.14 -1.33 0.00 0.00 177.39 177.06 1n50 n ARG 156 N 2.06 0.00 0.28 3.23 0.63 -0.91 -1.51 116.66 120.43 1n50 n ARG 156 Ca 0.31 0.17 0.14 0.00 -0.92 0.00 0.00 57.85 57.55 1n50 n ARG 156 Cb 0.34 -0.35 0.85 0.00 0.45 0.00 0.00 32.46 33.75 1n50 n ARG 156 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1n50 h ASP 157 N 0.00 0.00 0.91 6.15 5.19 -1.81 -1.93 116.42 124.93 1n50 h ASP 157 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1n50 h ASP 157 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1n50 h ASP 157 CO 0.00 0.00 -0.22 0.00 -3.12 0.00 0.00 179.24 175.90 1n50 h ALA 158 N 1.97 1.03 -2.96 3.45 0.00 -1.54 -3.46 119.26 117.74 1n50 h ALA 158 Ca 0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1n50 h ALA 158 Cb 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 17.88 1n50 h ALA 158 CO -0.00 0.27 -0.27 0.41 0.00 0.00 0.00 179.25 179.66 1n50 n GLY 159 N 0.13 0.33 3.50 0.00 0.00 -0.75 -4.95 105.19 103.45 1n50 n GLY 159 Ca 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1n50 n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n50 s GLN 160 N -5.28 1.98 0.06 1.61 -0.21 -1.20 -1.46 119.66 115.16 1n50 s GLN 160 Ca 0.17 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 53.76 1n50 s GLN 160 Cb -0.08 0.45 -0.04 0.00 1.00 0.00 0.00 33.01 34.35 1n50 s GLN 160 CO 0.28 -0.83 -0.04 0.96 -2.12 0.00 0.00 175.29 173.53 1n50 s ILE 161 N -2.90 0.36 -0.07 1.08 -5.25 -0.90 -1.32 121.20 112.20 1n50 s ILE 161 Ca 0.30 -1.61 0.03 0.00 -0.99 0.00 0.00 60.65 58.39 1n50 s ILE 161 Cb -0.01 -1.25 0.01 0.00 2.95 0.00 0.00 42.46 44.16 1n50 s ILE 161 CO 0.21 -0.81 -0.17 0.00 -1.79 0.00 0.00 174.94 172.38 1n50 s ALA 162 N -3.13 1.58 -0.15 2.27 0.00 0.26 -1.64 121.76 120.95 1n50 s ALA 162 Ca 0.02 -0.63 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 1n50 s ALA 162 Cb 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1n50 s ALA 162 CO -0.06 0.20 0.55 -0.51 0.00 0.00 0.00 175.76 175.94 1n50 s LEU 163 N 0.45 4.22 -0.07 0.00 1.43 -0.35 -0.63 118.68 123.74 1n50 s LEU 163 Ca -0.14 0.83 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 1n50 s LEU 163 Cb -0.16 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 1n50 s LEU 163 CO 0.05 -0.12 -0.24 -0.69 0.23 0.00 0.00 176.35 175.58 1n50 s VAL 164 N 1.18 2.13 -0.09 -1.59 1.01 -0.31 -0.96 120.40 121.76 1n50 s VAL 164 Ca 0.28 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1n50 s VAL 164 Cb -0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1n50 s VAL 164 CO 0.11 0.57 1.16 -0.62 0.00 0.00 0.00 175.10 176.32 1n50 s ASP 165 N -0.07 7.08 0.13 3.32 -1.08 0.06 -1.44 116.67 124.67 1n50 s ASP 165 Ca -0.06 1.71 -0.25 0.00 -0.52 0.00 0.00 52.55 53.43 1n50 s ASP 165 Cb -0.15 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 1n50 s ASP 165 CO 0.05 -0.59 1.63 1.23 0.52 0.00 0.00 175.17 178.01 1n50 h GLY 166 N 8.46 -0.33 1.77 2.66 0.00 -1.86 0.11 103.07 113.89 1n50 h GLY 166 Ca -0.31 0.31 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1n50 h GLY 166 CO 0.89 -0.21 -0.90 -0.55 0.00 0.00 0.00 176.54 175.78 1n50 h ASP 167 N -0.35 0.26 0.78 0.19 3.32 -1.92 -3.32 116.42 115.38 1n50 h ASP 167 Ca 0.09 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1n50 h ASP 167 Cb 0.48 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1n50 h ASP 167 CO -0.28 1.03 -0.65 -1.54 -1.72 0.00 0.00 179.24 176.08 1n50 n SER 168 N -3.65 0.66 -2.16 6.45 3.41 -1.20 -4.95 113.62 112.19 1n50 n SER 168 Ca -0.04 0.05 -0.20 0.00 -0.26 0.00 0.00 58.87 58.42 1n50 n SER 168 Cb 0.82 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1n50 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n50 n LYS 169 N -2.02 -1.64 -4.29 4.33 4.01 0.02 -4.99 118.16 113.58 1n50 n LYS 169 Ca 0.03 1.05 -0.29 0.00 -0.51 0.00 0.00 58.31 58.59 1n50 n LYS 169 Cb 0.43 -5.63 -0.11 0.00 -0.51 0.00 0.00 35.03 29.21 1n50 n LYS 169 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1n50 s LYS 170 N -4.65 1.86 -0.35 1.97 1.02 -1.24 -4.83 119.74 113.52 1n50 s LYS 170 Ca 0.00 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 54.54 1n50 s LYS 170 Cb 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1n50 s LYS 170 CO 0.00 0.48 1.17 0.42 -0.92 0.00 0.00 175.35 176.51 1n50 s ILE 171 N -1.20 4.31 0.03 2.17 1.01 -1.26 -0.76 121.20 125.50 1n50 s ILE 171 Ca 0.19 1.46 -0.17 0.00 0.00 0.00 0.00 60.65 62.13 1n50 s ILE 171 Cb -0.11 -4.36 -0.26 0.00 0.01 0.00 0.00 42.46 37.75 1n50 s ILE 171 CO 0.11 -0.59 1.11 0.58 0.00 0.00 0.00 174.94 176.15 1n50 h VAL 172 N 5.93 1.35 -2.19 2.92 2.07 -1.40 -3.48 116.25 121.44 1n50 h VAL 172 Ca -0.23 -2.28 -0.06 0.00 0.82 0.00 0.00 66.70 64.96 1n50 h VAL 172 Cb 1.07 2.61 -0.22 0.00 -1.52 0.00 0.00 31.29 33.24 1n50 h VAL 172 CO 1.05 0.68 0.03 -0.75 0.02 0.00 0.00 177.57 178.61 1n50 s LYS 173 N -3.11 0.74 -0.15 1.57 2.47 -1.21 -5.02 119.74 115.04 1n50 s LYS 173 Ca -0.11 0.90 -0.03 0.00 -1.56 0.00 0.00 55.97 55.17 1n50 s LYS 173 Cb 0.05 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.74 1n50 s LYS 173 CO 0.88 -0.09 -0.05 0.08 0.16 0.00 0.00 175.35 176.33 1n50 s VAL 174 N 0.40 3.80 -0.06 4.02 1.01 -1.26 -1.21 120.40 127.10 1n50 s VAL 174 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1n50 s VAL 174 Cb -0.05 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1n50 s VAL 174 CO -0.00 0.50 -0.25 -0.63 0.00 0.00 0.00 175.10 174.73 1n50 s ILE 175 N 0.28 2.10 0.16 2.22 1.01 -0.65 -4.99 121.20 121.33 1n50 s ILE 175 Ca -0.04 -1.05 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 1n50 s ILE 175 Cb -0.14 -1.76 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 1n50 s ILE 175 CO 0.03 0.57 1.16 -1.81 0.00 0.00 0.00 174.94 174.89 1n50 s ASP 176 N -0.21 7.15 0.00 3.58 1.01 -1.26 -2.12 116.67 124.82 1n50 s ASP 176 Ca -0.02 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.38 1n50 s ASP 176 Cb -0.13 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1n50 s ASP 176 CO 0.03 -0.33 0.00 0.35 0.21 0.00 0.00 175.17 175.43 1n50 n THR 177 N 2.70 0.00 -1.78 -1.27 -2.24 -0.53 -4.94 114.28 106.22 1n50 n THR 177 Ca 0.04 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 1n50 n THR 177 Cb 0.46 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1n50 n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n50 s GLY 178 N -0.38 1.67 0.33 3.38 0.00 -1.26 -4.70 107.32 106.35 1n50 s GLY 178 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 1n50 s GLY 178 CO 0.00 0.26 1.55 -0.47 0.00 0.00 0.00 173.10 174.43 1n50 s TYR 179 N -3.13 2.68 -0.97 1.90 5.04 -1.26 -3.75 117.35 117.87 1n50 s TYR 179 Ca 0.56 0.95 -0.13 0.00 -2.44 0.00 0.00 57.07 56.01 1n50 s TYR 179 Cb -0.12 -4.05 0.01 0.00 0.35 0.00 0.00 41.96 38.15 1n50 s TYR 179 CO 0.54 -3.33 0.66 0.00 -1.34 0.00 0.00 175.55 172.08 1n50 n ALA 180 N 1.43 -2.69 -1.62 3.97 0.00 -1.10 -2.30 120.51 118.19 1n50 n ALA 180 Ca 0.05 -0.33 -0.46 0.00 0.00 0.00 0.00 53.44 52.70 1n50 n ALA 180 Cb 0.38 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1n50 n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n50 n VAL 181 N -3.44 1.13 -0.09 0.00 0.31 -1.25 -3.01 118.33 111.98 1n50 n VAL 181 Ca -0.20 -0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 63.62 1n50 n VAL 181 Cb 0.62 -1.11 -0.12 0.00 -0.91 0.00 0.00 33.84 32.32 1n50 n VAL 181 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1n50 n HIS 182 N 1.39 0.57 -4.09 3.52 -0.00 -0.38 -4.88 115.22 111.36 1n50 n HIS 182 Ca 0.13 0.17 -0.09 0.00 0.46 0.00 0.00 57.72 58.38 1n50 n HIS 182 Cb 0.29 -1.07 -0.09 0.00 -0.12 0.00 0.00 29.99 29.00 1n50 n HIS 182 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1n50 s ILE 183 N -2.49 0.11 -0.03 3.57 -4.36 -1.26 -4.80 121.20 111.94 1n50 s ILE 183 Ca -0.31 -1.75 0.06 0.00 -0.26 0.00 0.00 60.65 58.38 1n50 s ILE 183 Cb 0.09 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 1n50 s ILE 183 CO 0.62 -0.51 -0.19 -0.44 0.24 0.00 0.00 174.94 174.66 1n50 s SER 184 N -3.01 2.33 0.07 4.36 0.01 -1.26 -3.46 113.70 112.74 1n50 s SER 184 Ca 0.20 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.12 1n50 s SER 184 Cb 0.07 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1n50 s SER 184 CO -0.01 0.22 -0.09 -0.13 0.41 0.00 0.00 173.24 173.64 1n50 s ARG 185 N -0.32 0.71 -0.01 12.44 1.81 0.35 -4.98 118.95 128.95 1n50 s ARG 185 Ca 0.04 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.07 1n50 s ARG 185 Cb -0.09 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 33.92 1n50 s ARG 185 CO 0.00 0.08 0.02 -1.64 -0.68 0.00 0.00 175.30 173.08 1n50 s MET 186 N -2.24 2.88 0.61 3.54 -1.94 -1.26 -0.55 119.30 120.33 1n50 s MET 186 Ca -0.01 -0.56 -0.15 0.00 -1.71 0.00 0.00 55.69 53.25 1n50 s MET 186 Cb -0.06 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 1n50 s MET 186 CO 0.00 0.64 1.06 -1.54 -0.01 0.00 0.00 175.02 175.17 1n50 s SER 187 N -1.56 5.69 0.32 3.03 1.04 0.27 -4.76 113.70 117.73 1n50 s SER 187 Ca 0.20 1.82 0.21 0.00 0.48 0.00 0.00 55.95 58.66 1n50 s SER 187 Cb -0.12 -2.53 1.15 0.00 0.10 0.00 0.00 66.02 64.63 1n50 s SER 187 CO 0.11 -1.23 1.65 0.00 0.98 0.00 0.00 173.24 174.75 1n50 n ALA 188 N -2.14 1.05 0.48 5.32 0.00 -1.26 -0.58 120.51 123.37 1n50 n ALA 188 Ca 0.09 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1n50 n ALA 188 Cb 0.53 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.74 1n50 n ALA 188 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n50 n SER 189 N -2.25 0.67 -0.02 0.00 3.41 -1.26 -4.95 113.62 109.22 1n50 n SER 189 Ca -0.01 0.02 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1n50 n SER 189 Cb 0.03 0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1n50 n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n50 n GLY 190 N 1.32 0.44 0.09 5.00 0.00 0.25 -4.92 105.19 107.37 1n50 n GLY 190 Ca 0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1n50 n GLY 190 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n50 n ARG 191 N -2.97 1.17 -4.46 1.61 0.63 -1.26 -4.96 116.66 106.42 1n50 n ARG 191 Ca -0.00 0.02 -0.34 0.00 -0.92 0.00 0.00 57.85 56.61 1n50 n ARG 191 Cb 0.01 -1.42 -0.12 0.00 0.45 0.00 0.00 32.46 31.38 1n50 n ARG 191 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1n50 s TYR 192 N -2.40 3.00 -0.20 -0.14 2.02 -1.26 -1.61 117.35 116.76 1n50 s TYR 192 Ca -0.12 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1n50 s TYR 192 Cb 0.05 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1n50 s TYR 192 CO 0.63 -0.00 0.03 -1.17 -1.57 0.00 0.00 175.55 173.47 1n50 s LEU 193 N 0.21 3.47 -0.08 -1.29 2.96 -0.54 -0.57 118.68 122.84 1n50 s LEU 193 Ca -0.03 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1n50 s LEU 193 Cb -0.14 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1n50 s LEU 193 CO 0.03 0.09 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.34 1n50 s LEU 194 N 0.85 3.25 0.02 -0.68 1.43 0.28 -0.45 118.68 123.38 1n50 s LEU 194 Ca 0.02 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1n50 s LEU 194 Cb -0.14 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1n50 s LEU 194 CO 0.02 0.35 -0.05 0.68 0.23 0.00 0.00 176.35 177.58 1n50 s VAL 195 N -0.72 0.32 -0.04 -1.59 -7.23 -0.95 -0.50 120.40 109.69 1n50 s VAL 195 Ca 0.11 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1n50 s VAL 195 Cb -0.11 -0.37 0.03 0.00 0.56 0.00 0.00 36.38 36.48 1n50 s VAL 195 CO 0.02 -0.25 -0.00 -0.51 -0.31 0.00 0.00 175.10 174.05 1n50 s ILE 196 N -0.93 0.21 0.57 -0.62 2.07 -1.23 -1.16 121.20 120.12 1n50 s ILE 196 Ca -0.08 0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.19 1n50 s ILE 196 Cb -0.07 -0.32 -0.00 0.00 0.13 0.00 0.00 42.46 42.20 1n50 s ILE 196 CO -0.00 0.16 0.88 -0.83 -1.91 0.00 0.00 174.94 173.25 1n50 s GLY 197 N 1.16 1.59 0.61 1.50 0.00 -0.59 -1.24 107.32 110.34 1n50 s GLY 197 Ca -0.08 -0.64 0.41 0.00 0.00 0.00 0.00 44.72 44.41 1n50 s GLY 197 CO -0.02 -0.38 2.24 0.07 0.00 0.00 0.00 173.10 175.02 1n50 h ARG 198 N -0.10 0.00 -0.77 2.90 0.11 -1.36 0.68 114.38 115.82 1n50 h ARG 198 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1n50 h ARG 198 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1n50 h ARG 198 CO 0.61 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.28 1n50 n ASP 199 N -2.95 2.51 0.00 0.08 5.75 -1.26 -0.54 116.55 120.14 1n50 n ASP 199 Ca -0.02 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1n50 n ASP 199 Cb 0.08 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1n50 n ASP 199 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n50 n ALA 200 N 0.23 0.00 -2.62 2.12 0.00 0.23 -4.65 120.51 115.82 1n50 n ALA 200 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1n50 n ALA 200 Cb 0.54 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1n50 n ALA 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n50 s ARG 201 N -1.17 4.04 -0.17 0.00 3.52 -1.25 -1.53 118.95 122.39 1n50 s ARG 201 Ca 0.00 0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 56.19 1n50 s ARG 201 Cb 0.00 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1n50 s ARG 201 CO 0.00 -0.60 0.09 0.42 -0.81 0.00 0.00 175.30 174.40 1n50 s ILE 202 N 2.87 5.08 -0.10 4.11 1.01 0.67 -1.54 121.20 133.30 1n50 s ILE 202 Ca 0.32 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.07 1n50 s ILE 202 Cb -0.15 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 1n50 s ILE 202 CO 0.11 0.49 -0.23 -1.81 0.00 0.00 0.00 174.94 173.50 1n50 s ASP 203 N 0.03 3.21 -0.21 3.58 1.01 -0.31 -2.07 116.67 121.92 1n50 s ASP 203 Ca 0.07 -0.53 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 1n50 s ASP 203 Cb -0.12 -1.44 -0.05 0.00 1.01 0.00 0.00 42.92 42.33 1n50 s ASP 203 CO 0.00 0.16 0.14 -0.32 0.21 0.00 0.00 175.17 175.36 1n50 s MET 204 N 0.35 4.15 -0.12 8.23 1.75 0.04 -2.25 119.30 131.45 1n50 s MET 204 Ca -0.18 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.05 1n50 s MET 204 Cb -0.18 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.04 1n50 s MET 204 CO 0.08 0.22 -0.22 0.42 -0.65 0.00 0.00 175.02 174.88 1n50 s ILE 205 N 0.60 2.21 -0.36 10.11 1.01 0.41 -1.28 121.20 133.89 1n50 s ILE 205 Ca 0.08 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 1n50 s ILE 205 Cb -0.12 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1n50 s ILE 205 CO 0.00 0.55 0.58 -0.62 0.00 0.00 0.00 174.94 175.45 1n50 s ASP 206 N 0.52 6.36 0.00 3.58 -1.08 0.65 -1.47 116.67 125.24 1n50 s ASP 206 Ca -0.14 -0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.18 1n50 s ASP 206 Cb -0.17 -2.30 1.24 0.00 -1.46 0.00 0.00 42.92 40.24 1n50 s ASP 206 CO 0.05 -0.57 1.90 0.18 0.52 0.00 0.00 175.17 177.24 1n50 n LEU 207 N 5.93 0.15 0.09 -1.34 4.77 -0.63 -2.58 117.00 123.40 1n50 n LEU 207 Ca -0.03 0.28 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1n50 n LEU 207 Cb 0.49 -0.34 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1n50 n LEU 207 CO 0.48 0.03 0.20 -0.50 -1.33 0.00 0.00 177.39 176.27 1n50 h TRP 208 N 0.12 0.00 -3.69 -1.77 4.06 -1.91 -3.44 115.95 109.31 1n50 h TRP 208 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 1n50 h TRP 208 Cb 0.40 0.00 0.21 0.00 -1.00 0.00 0.00 29.16 28.77 1n50 h TRP 208 CO 0.00 0.00 0.02 0.00 -3.56 0.00 0.00 178.44 174.90 1n50 n ALA 209 N -2.02 -1.96 -0.16 1.49 0.00 -1.23 0.22 120.51 116.85 1n50 n ALA 209 Ca 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 53.44 52.57 1n50 n ALA 209 Cb 0.50 -2.06 0.06 0.00 0.00 0.00 0.00 19.45 17.95 1n50 n ALA 209 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n50 h LYS 210 N -2.23 0.13 -4.48 0.00 1.57 -1.93 -3.35 116.57 106.27 1n50 h LYS 210 Ca -0.51 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 57.68 1n50 h LYS 210 Cb 1.30 -0.03 -0.37 0.00 0.08 0.00 0.00 32.23 33.22 1n50 h LYS 210 CO 0.44 0.08 -0.82 -2.00 -0.57 0.00 0.00 179.45 176.59 1n50 s GLU 211 N -6.16 1.96 -0.49 3.15 2.12 -1.26 -4.52 118.70 113.50 1n50 s GLU 211 Ca -0.13 -0.51 -0.46 0.00 0.36 0.00 0.00 54.97 54.22 1n50 s GLU 211 Cb 0.16 -2.00 -0.19 0.00 0.26 0.00 0.00 34.13 32.35 1n50 s GLU 211 CO 0.72 -0.29 1.75 -2.30 -0.54 0.00 0.00 175.26 174.60 1n50 n PRO 212 N 4.82 0.07 -4.33 4.30 -0.01 -1.26 -4.93 135.00 133.66 1n50 n PRO 212 Ca -0.15 0.02 -0.17 0.00 -0.01 0.00 0.00 63.50 63.19 1n50 n PRO 212 Cb 0.49 -1.54 -0.10 0.00 -0.01 0.00 0.00 33.50 32.34 1n50 n PRO 212 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1n50 s THR 213 N 3.82 1.16 0.03 3.45 -4.23 -1.06 -4.93 115.64 113.88 1n50 s THR 213 Ca 1.08 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 59.24 1n50 s THR 213 Cb -1.47 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1n50 s THR 213 CO 0.77 -0.40 0.96 -0.54 -0.54 0.00 0.00 174.62 174.87 1n50 s LYS 214 N -3.82 4.59 -0.01 3.99 1.02 -1.26 -0.25 119.74 124.00 1n50 s LYS 214 Ca 0.26 1.41 0.11 0.00 0.02 0.00 0.00 55.97 57.77 1n50 s LYS 214 Cb 0.05 -3.44 -0.16 0.00 -0.52 0.00 0.00 37.83 33.77 1n50 s LYS 214 CO 0.08 0.03 0.29 1.33 -0.92 0.00 0.00 175.35 176.16 1n50 n VAL 215 N 3.58 0.00 -3.53 3.17 0.24 -0.41 -4.51 118.33 116.87 1n50 n VAL 215 Ca 0.05 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.34 61.93 1n50 n VAL 215 Cb 0.51 0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 1n50 n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n50 s ALA 216 N -2.57 -1.79 0.03 2.33 0.00 -1.24 -0.32 121.76 118.21 1n50 s ALA 216 Ca -0.02 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 1n50 s ALA 216 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1n50 s ALA 216 CO 0.45 -0.36 0.24 -1.83 0.00 0.00 0.00 175.76 174.26 1n50 s GLU 217 N -1.16 0.71 0.05 0.00 -1.05 -0.49 -0.78 118.70 115.98 1n50 s GLU 217 Ca -0.10 -0.50 -0.27 0.00 -0.15 0.00 0.00 54.97 53.96 1n50 s GLU 217 Cb -0.00 0.30 0.08 0.00 -0.44 0.00 0.00 34.13 34.07 1n50 s GLU 217 CO 0.09 -0.21 0.73 -1.50 0.95 0.00 0.00 175.26 175.32 1n50 s ILE 218 N -2.25 0.00 -0.24 1.83 2.07 -0.88 -0.79 121.20 120.94 1n50 s ILE 218 Ca -0.07 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.15 1n50 s ILE 218 Cb -0.02 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.59 1n50 s ILE 218 CO -0.02 0.00 -0.07 -0.75 -1.91 0.00 0.00 174.94 172.19 1n50 s LYS 219 N -2.95 2.85 0.00 3.50 2.20 -1.26 -0.24 119.74 123.84 1n50 s LYS 219 Ca 0.00 -0.96 0.22 0.00 -0.36 0.00 0.00 55.97 54.87 1n50 s LYS 219 Cb -0.01 -2.95 0.55 0.00 -1.51 0.00 0.00 37.83 33.91 1n50 s LYS 219 CO -0.07 -0.38 1.45 0.44 -0.36 0.00 0.00 175.35 176.43 1n50 n ILE 220 N 4.66 0.38 -3.15 5.43 -6.64 -0.58 -4.61 119.36 114.85 1n50 n ILE 220 Ca -0.17 -0.57 0.00 0.00 -1.77 0.00 0.00 62.75 60.24 1n50 n ILE 220 Cb 0.47 0.72 0.00 0.00 -1.44 0.00 0.00 39.64 39.39 1n50 n ILE 220 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1n50 n GLY 221 N 1.34 -0.89 0.13 3.28 0.00 -1.26 -4.88 105.19 102.91 1n50 n GLY 221 Ca 0.18 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1n50 n GLY 221 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n50 n ILE 222 N 1.37 1.66 -4.26 -0.61 2.08 0.14 -4.63 119.36 115.11 1n50 n ILE 222 Ca 0.00 -0.39 -0.19 0.00 0.56 0.00 0.00 62.75 62.73 1n50 n ILE 222 Cb 0.00 -1.85 -0.13 0.00 -0.75 0.00 0.00 39.64 36.92 1n50 n ILE 222 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1n50 s GLU 223 N -2.48 0.86 0.34 0.38 2.12 -0.94 -4.10 118.70 114.88 1n50 s GLU 223 Ca -0.26 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.08 1n50 s GLU 223 Cb 0.07 -0.85 0.04 0.00 0.26 0.00 0.00 34.13 33.64 1n50 s GLU 223 CO 0.68 0.20 0.73 0.00 -0.54 0.00 0.00 175.26 176.33 1n50 s ALA 224 N -1.02 -0.76 0.00 6.30 0.00 0.30 -0.40 121.76 126.17 1n50 s ALA 224 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1n50 s ALA 224 Cb -0.09 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1n50 s ALA 224 CO 0.02 -0.98 0.00 0.54 0.00 0.00 0.00 175.76 175.33 1n50 n ARG 225 N -0.50 1.03 -4.37 0.00 5.12 -1.23 -4.11 116.66 112.60 1n50 n ARG 225 Ca -0.06 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.64 1n50 n ARG 225 Cb 0.60 -0.28 -0.11 0.00 -1.16 0.00 0.00 32.46 31.51 1n50 n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1n50 s SER 226 N -0.69 2.88 -0.02 0.55 0.15 -1.25 -4.35 113.70 110.97 1n50 s SER 226 Ca 0.00 -0.92 -0.17 0.00 0.70 0.00 0.00 55.95 55.55 1n50 s SER 226 Cb 0.00 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1n50 s SER 226 CO 0.00 -0.04 0.37 0.54 1.20 0.00 0.00 173.24 175.32 1n50 s VAL 227 N -2.28 0.05 0.05 4.45 0.11 -1.26 -2.00 120.40 119.51 1n50 s VAL 227 Ca 0.20 -0.38 -0.26 0.00 -2.93 0.00 0.00 61.98 58.61 1n50 s VAL 227 Cb -0.05 -0.68 0.07 0.00 -1.53 0.00 0.00 36.38 34.19 1n50 s VAL 227 CO 0.08 -0.21 0.61 -0.70 -3.33 0.00 0.00 175.10 171.56 1n50 s GLU 228 N -1.25 1.14 0.08 1.54 2.56 0.50 -4.88 118.70 118.38 1n50 s GLU 228 Ca -0.13 -0.13 0.09 0.00 0.00 0.00 0.00 54.97 54.81 1n50 s GLU 228 Cb -0.04 0.53 -0.04 0.00 2.00 0.00 0.00 34.13 36.58 1n50 s GLU 228 CO 0.05 -0.43 -0.24 0.45 -0.56 0.00 0.00 175.26 174.54 1n50 s SER 229 N -1.96 3.46 0.03 -1.70 0.15 -1.26 -0.19 113.70 112.24 1n50 s SER 229 Ca -0.05 -0.61 -0.30 0.00 0.70 0.00 0.00 55.95 55.69 1n50 s SER 229 Cb -0.01 -0.37 -0.08 0.00 -1.71 0.00 0.00 66.02 63.85 1n50 s SER 229 CO -0.01 0.22 1.90 -0.94 1.20 0.00 0.00 173.24 175.61 1n50 s SER 230 N -1.71 6.49 -0.18 5.45 1.04 -0.79 -4.65 113.70 119.35 1n50 s SER 230 Ca 0.14 2.60 0.16 0.00 0.48 0.00 0.00 55.95 59.34 1n50 s SER 230 Cb -0.10 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 63.91 1n50 s SER 230 CO 0.05 -1.03 1.31 0.29 0.98 0.00 0.00 173.24 174.84 1n50 n LYS 231 N 7.34 2.05 -3.28 4.02 5.02 -1.26 -4.43 118.16 127.62 1n50 n LYS 231 Ca 0.19 -2.82 -0.35 0.00 -2.02 0.00 0.00 58.31 53.32 1n50 n LYS 231 Cb 0.41 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1n50 n LYS 231 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1n50 s PHE 232 N -2.93 3.57 -0.01 2.13 5.36 -1.25 -4.68 117.98 120.16 1n50 s PHE 232 Ca 0.38 1.13 -0.37 0.00 -0.96 0.00 0.00 56.93 57.11 1n50 s PHE 232 Cb 0.33 -2.43 -0.16 0.00 -0.34 0.00 0.00 43.02 40.41 1n50 s PHE 232 CO 0.04 0.35 1.47 1.63 -1.46 0.00 0.00 175.22 177.25 1n50 n LYS 233 N 0.55 1.21 -0.71 10.12 4.76 -1.26 -1.21 118.16 131.63 1n50 n LYS 233 Ca -0.03 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1n50 n LYS 233 Cb 0.52 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1n50 n LYS 233 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n50 n GLY 234 N 3.03 0.64 0.97 0.72 0.00 -1.26 -4.94 105.19 104.36 1n50 n GLY 234 Ca 0.21 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1n50 n GLY 234 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n50 n TYR 235 N -2.71 0.00 -1.69 1.61 4.02 -0.35 -5.04 117.16 113.01 1n50 n TYR 235 Ca 0.00 -0.89 -0.42 0.00 -0.01 0.00 0.00 57.90 56.58 1n50 n TYR 235 Cb 0.00 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 1n50 n TYR 235 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1n50 n GLU 236 N -0.31 2.79 -2.35 -0.72 1.02 -1.26 -1.94 120.64 117.88 1n50 n GLU 236 Ca 0.11 1.01 -0.20 0.00 -0.02 0.00 0.00 57.16 58.06 1n50 n GLU 236 Cb 0.90 -2.91 -0.01 0.00 -0.02 0.00 0.00 31.44 29.40 1n50 n GLU 236 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1n50 n ASP 237 N 5.63 -5.74 -0.07 1.62 8.00 -1.26 -4.93 116.55 119.80 1n50 n ASP 237 Ca 0.18 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 1n50 n ASP 237 Cb 0.37 -4.80 -0.09 0.00 -0.02 0.00 0.00 41.12 36.58 1n50 n ASP 237 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1n50 h ARG 238 N 0.00 0.00 -4.74 -1.24 2.47 -1.69 -3.25 114.38 105.93 1n50 h ARG 238 Ca -0.48 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 57.96 1n50 h ARG 238 Cb 1.35 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.48 1n50 h ARG 238 CO 0.57 0.68 -0.73 0.71 0.56 0.00 0.00 179.97 181.76 1n50 s TYR 239 N -2.09 0.84 -0.05 3.04 2.02 -1.26 -0.09 117.35 119.76 1n50 s TYR 239 Ca -0.16 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1n50 s TYR 239 Cb -0.00 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 1n50 s TYR 239 CO 0.47 -0.06 -0.11 0.99 -1.57 0.00 0.00 175.55 175.26 1n50 s THR 240 N -1.99 1.03 0.07 -0.71 2.01 -0.82 -1.89 115.64 113.34 1n50 s THR 240 Ca -0.02 -0.44 0.10 0.00 0.31 0.00 0.00 61.69 61.63 1n50 s THR 240 Cb -0.06 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1n50 s THR 240 CO -0.00 0.32 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.48 1n50 s ILE 241 N 0.49 2.12 -0.02 1.82 2.07 0.74 -0.76 121.20 127.66 1n50 s ILE 241 Ca -0.10 -1.48 -0.02 0.00 -1.41 0.00 0.00 60.65 57.64 1n50 s ILE 241 Cb -0.13 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.63 1n50 s ILE 241 CO 0.02 0.26 0.05 0.00 -1.91 0.00 0.00 174.94 173.37 1n50 s ALA 242 N -0.88 -0.13 -0.05 1.50 0.00 -0.83 -0.37 121.76 120.99 1n50 s ALA 242 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 1n50 s ALA 242 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1n50 s ALA 242 CO 0.03 -0.03 -0.00 0.20 0.00 0.00 0.00 175.76 175.96 1n50 s GLY 243 N -0.02 1.86 0.27 0.00 0.00 -0.85 -0.87 107.32 107.72 1n50 s GLY 243 Ca -0.00 -0.87 0.09 0.00 0.00 0.00 0.00 44.72 43.94 1n50 s GLY 243 CO 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 173.10 172.44 1n50 s ALA 244 N -0.97 3.21 -0.20 3.20 0.00 0.93 -3.49 121.76 124.44 1n50 s ALA 244 Ca 0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1n50 s ALA 244 Cb -0.11 -0.78 -0.21 0.00 0.00 0.00 0.00 23.12 22.03 1n50 s ALA 244 CO 0.06 0.24 0.04 0.66 0.00 0.00 0.00 175.76 176.75 1n50 n TYR 245 N -0.93 0.60 -3.79 0.00 4.02 0.46 -1.62 117.16 115.90 1n50 n TYR 245 Ca -0.06 0.14 -0.13 0.00 -0.01 0.00 0.00 57.90 57.84 1n50 n TYR 245 Cb 0.59 -1.08 -0.14 0.00 -0.02 0.00 0.00 39.34 38.69 1n50 n TYR 245 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1n50 s TRP 246 N -2.52 -0.08 0.96 -0.72 -0.11 -1.09 -4.16 118.94 111.21 1n50 s TRP 246 Ca -0.30 0.29 -0.11 0.00 1.22 0.00 0.00 56.10 57.19 1n50 s TRP 246 Cb 0.08 -0.08 0.17 0.00 -1.50 0.00 0.00 33.47 32.14 1n50 s TRP 246 CO 0.66 -0.10 1.09 -2.14 -4.62 0.00 0.00 176.95 171.84 1n50 s PRO 247 N 0.70 0.74 -1.01 5.86 0.02 -1.26 0.28 135.00 140.32 1n50 s PRO 247 Ca -0.05 0.97 -0.24 0.00 0.02 0.00 0.00 61.00 61.70 1n50 s PRO 247 Cb -0.07 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.64 1n50 s PRO 247 CO -0.03 -2.64 1.96 -2.14 -0.33 0.00 0.00 177.00 173.82 1n50 s PRO 248 N -4.77 2.46 0.27 5.54 0.02 -1.26 -4.60 135.00 132.65 1n50 s PRO 248 Ca 0.65 -0.60 -0.20 0.00 0.02 0.00 0.00 61.00 60.86 1n50 s PRO 248 Cb -0.20 -5.12 0.02 0.00 0.02 0.00 0.00 34.50 29.22 1n50 s PRO 248 CO 0.59 -3.71 0.69 1.14 -0.33 0.00 0.00 177.00 175.38 1n50 s GLN 249 N 6.91 1.74 0.08 5.54 -2.07 -1.26 0.31 119.66 130.92 1n50 s GLN 249 Ca 0.71 -0.98 0.03 0.00 -1.82 0.00 0.00 55.36 53.29 1n50 s GLN 249 Cb -0.05 0.60 -0.03 0.00 -1.09 0.00 0.00 33.01 32.44 1n50 s GLN 249 CO 0.05 -0.79 -0.08 -0.59 -1.32 0.00 0.00 175.29 172.56 1n50 s PHE 250 N -3.92 0.90 -0.01 9.60 -0.12 -0.77 -0.05 117.98 123.61 1n50 s PHE 250 Ca 0.11 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.32 1n50 s PHE 250 Cb -0.05 -0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 1n50 s PHE 250 CO 0.06 -0.07 -0.12 0.00 -0.05 0.00 0.00 175.22 175.03 1n50 s ALA 251 N -2.58 1.03 -0.18 1.99 0.00 -0.05 -1.30 121.76 120.67 1n50 s ALA 251 Ca 0.04 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1n50 s ALA 251 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1n50 s ALA 251 CO -0.02 0.24 0.01 0.42 0.00 0.00 0.00 175.76 176.41 1n50 s ILE 252 N -0.22 4.25 0.37 0.00 1.01 0.78 -1.97 121.20 125.42 1n50 s ILE 252 Ca 0.03 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.51 1n50 s ILE 252 Cb -0.06 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.45 1n50 s ILE 252 CO -0.00 0.47 0.04 -0.04 0.00 0.00 0.00 174.94 175.40 1n50 s MET 253 N 0.50 1.81 0.15 2.79 -1.94 0.06 -0.39 119.30 122.29 1n50 s MET 253 Ca -0.00 -2.03 -0.30 0.00 -1.71 0.00 0.00 55.69 51.65 1n50 s MET 253 Cb -0.14 -1.21 -0.08 0.00 2.01 0.00 0.00 34.83 35.42 1n50 s MET 253 CO 0.02 -0.15 1.22 0.34 -0.01 0.00 0.00 175.02 176.45 1n50 s ASP 254 N -3.60 7.04 0.43 3.03 2.15 -0.15 -1.95 116.67 123.63 1n50 s ASP 254 Ca 0.34 2.21 0.16 0.00 0.43 0.00 0.00 52.55 55.69 1n50 s ASP 254 Cb 0.09 -2.60 0.98 0.00 -0.30 0.00 0.00 42.92 41.09 1n50 s ASP 254 CO 0.16 -0.43 1.95 1.23 -0.17 0.00 0.00 175.17 177.90 1n50 h GLY 255 N 5.75 0.00 0.92 2.66 0.00 -0.65 0.17 103.07 111.91 1n50 h GLY 255 Ca -0.44 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.57 1n50 h GLY 255 CO 0.77 0.00 -1.77 0.83 0.00 0.00 0.00 176.54 176.38 1n50 h GLU 256 N 0.00 0.14 0.00 4.80 4.39 -1.78 -3.43 114.58 118.69 1n50 h GLU 256 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1n50 h GLU 256 Cb 0.45 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1n50 h GLU 256 CO 0.03 0.87 -0.82 0.25 -1.16 0.00 0.00 179.01 178.18 1n50 n THR 257 N -3.28 0.00 -1.67 1.13 -2.24 -1.21 -4.89 114.28 102.11 1n50 n THR 257 Ca -0.22 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 1n50 n THR 257 Cb 1.05 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1n50 n THR 257 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n50 n LEU 258 N -1.41 -0.73 -4.70 3.22 4.77 0.59 -4.73 117.00 114.01 1n50 n LEU 258 Ca 0.00 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1n50 n LEU 258 Cb 0.00 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1n50 n LEU 258 CO 0.00 -0.05 1.03 -0.70 -1.33 0.00 0.00 177.39 176.34 1n50 s GLU 259 N -3.37 4.33 0.08 3.23 2.12 -1.26 -4.56 118.70 119.28 1n50 s GLU 259 Ca 0.00 1.87 -0.34 0.00 0.36 0.00 0.00 54.97 56.86 1n50 s GLU 259 Cb 0.00 -3.49 -0.14 0.00 0.26 0.00 0.00 34.13 30.76 1n50 s GLU 259 CO 0.00 -0.47 1.63 -2.30 -0.54 0.00 0.00 175.26 173.58 1n50 n PRO 260 N 4.90 2.02 -0.00 4.30 -0.02 -1.26 -0.98 135.00 143.96 1n50 n PRO 260 Ca 0.12 0.73 -0.04 0.00 -2.02 0.00 0.00 63.50 62.29 1n50 n PRO 260 Cb 0.45 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1n50 n PRO 260 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1n50 n LYS 261 N 4.15 0.13 -4.15 -0.52 4.76 0.47 -4.90 118.16 118.11 1n50 n LYS 261 Ca 0.19 0.06 -0.15 0.00 -2.87 0.00 0.00 58.31 55.53 1n50 n LYS 261 Cb 0.27 -0.73 -0.13 0.00 -1.84 0.00 0.00 35.03 32.61 1n50 n LYS 261 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1n50 s GLN 262 N -2.19 0.60 -0.07 1.97 -1.52 -0.70 -4.98 119.66 112.77 1n50 s GLN 262 Ca -0.08 -0.63 0.02 0.00 -1.95 0.00 0.00 55.36 52.72 1n50 s GLN 262 Cb 0.02 -0.48 0.02 0.00 -0.22 0.00 0.00 33.01 32.35 1n50 s GLN 262 CO 0.11 0.11 -0.10 0.42 -0.25 0.00 0.00 175.29 175.58 1n50 s ILE 263 N -0.96 1.01 -0.06 1.08 1.01 -1.26 -0.16 121.20 121.86 1n50 s ILE 263 Ca -0.04 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1n50 s ILE 263 Cb -0.08 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1n50 s ILE 263 CO 0.01 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 174.42 1n50 s VAL 264 N 0.82 1.48 0.13 2.92 1.01 -0.42 -4.99 120.40 121.35 1n50 s VAL 264 Ca -0.12 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 1n50 s VAL 264 Cb -0.15 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 1n50 s VAL 264 CO 0.02 0.43 0.88 -0.55 0.00 0.00 0.00 175.10 175.88 1n50 s SER 265 N 0.29 7.45 0.00 3.32 0.15 -1.26 -1.85 113.70 121.79 1n50 s SER 265 Ca -0.10 1.72 0.22 0.00 0.70 0.00 0.00 55.95 58.49 1n50 s SER 265 Cb -0.14 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.78 1n50 s SER 265 CO 0.04 0.04 1.18 0.35 1.20 0.00 0.00 173.24 176.05 1n50 n THR 266 N 2.35 0.00 -1.69 6.45 -2.24 0.15 -4.94 114.28 114.36 1n50 n THR 266 Ca -0.01 -0.48 -0.44 0.00 -2.27 0.00 0.00 64.05 60.85 1n50 n THR 266 Cb 0.49 1.44 -0.03 0.00 -2.10 0.00 0.00 70.33 70.14 1n50 n THR 266 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n50 n ARG 267 N 1.14 2.27 -3.18 -0.78 1.74 -1.25 -4.59 116.66 112.02 1n50 n ARG 267 Ca 0.13 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1n50 n ARG 267 Cb 0.54 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1n50 n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n50 n GLY 268 N 2.41 -1.28 3.75 -0.13 0.00 -1.15 -5.04 105.19 103.76 1n50 n GLY 268 Ca 0.12 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1n50 n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n50 s MET 269 N -0.49 4.75 0.73 1.61 -1.94 -1.26 -1.08 119.30 121.62 1n50 s MET 269 Ca 0.00 1.63 -0.11 0.00 -1.71 0.00 0.00 55.69 55.50 1n50 s MET 269 Cb 0.00 -3.25 0.03 0.00 2.01 0.00 0.00 34.83 33.62 1n50 s MET 269 CO 0.00 0.36 1.07 0.95 -0.01 0.00 0.00 175.02 177.39 1n50 s THR 270 N -1.06 3.69 0.03 2.05 -4.23 0.09 -4.86 115.64 111.34 1n50 s THR 270 Ca 0.43 0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 61.42 1n50 s THR 270 Cb -0.28 -3.23 -0.30 0.00 1.34 0.00 0.00 72.50 70.02 1n50 s THR 270 CO 0.36 -0.72 0.99 1.62 -0.54 0.00 0.00 174.62 176.33 1n50 h VAL 271 N -0.89 1.30 0.03 2.29 3.04 -1.11 -2.99 116.25 117.93 1n50 h VAL 271 Ca -0.44 -2.86 -0.00 0.00 -1.01 0.00 0.00 66.70 62.39 1n50 h VAL 271 Cb 1.23 2.90 0.00 0.00 -2.01 0.00 0.00 31.29 33.41 1n50 h VAL 271 CO 0.56 0.85 -0.02 -2.24 -1.01 0.00 0.00 177.57 175.71 1n50 h ASP 272 N 0.09 -0.04 0.31 3.17 2.03 -1.93 -3.39 116.42 116.66 1n50 h ASP 272 Ca -0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1n50 h ASP 272 Cb 2.05 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 40.56 1n50 h ASP 272 CO 0.21 0.01 -0.31 0.35 -1.03 0.00 0.00 179.24 178.47 1n50 n THR 273 N -2.33 0.00 -3.75 1.15 -2.24 -1.26 -4.97 114.28 100.87 1n50 n THR 273 Ca -0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1n50 n THR 273 Cb 0.02 0.33 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1n50 n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n50 n GLN 274 N -0.88 -4.46 -4.50 -0.78 6.02 -1.13 -4.98 117.38 106.67 1n50 n GLN 274 Ca 0.11 0.57 -0.25 0.00 -0.01 0.00 0.00 57.00 57.42 1n50 n GLN 274 Cb 0.34 -5.02 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 1n50 n GLN 274 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1n50 s THR 275 N -3.73 2.30 -0.04 5.09 -4.23 -1.26 -4.76 115.64 109.00 1n50 s THR 275 Ca 0.01 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 57.94 1n50 s THR 275 Cb -0.00 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1n50 s THR 275 CO 0.83 -0.30 1.17 -0.47 -0.54 0.00 0.00 174.62 175.31 1n50 s TYR 276 N -2.60 3.29 -0.25 3.99 5.04 -1.26 -0.74 117.35 124.83 1n50 s TYR 276 Ca 0.31 1.29 -0.05 0.00 -2.44 0.00 0.00 57.07 56.18 1n50 s TYR 276 Cb -0.01 -3.38 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 1n50 s TYR 276 CO 0.15 -1.12 0.01 -1.58 -1.34 0.00 0.00 175.55 171.68 1n50 s HIS 277 N 1.96 3.04 -2.00 4.97 5.65 -0.24 -4.94 115.29 123.73 1n50 s HIS 277 Ca 0.55 -0.86 0.22 0.00 0.25 0.00 0.00 55.06 55.23 1n50 s HIS 277 Cb -0.24 -2.17 1.33 0.00 -1.18 0.00 0.00 32.58 30.32 1n50 s HIS 277 CO 0.23 -0.52 1.72 -0.35 -0.65 0.00 0.00 174.74 175.17 1n50 n PRO 278 N 4.84 0.74 -2.84 2.88 -0.04 -1.26 -2.95 135.00 136.37 1n50 n PRO 278 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1n50 n PRO 278 Cb 0.50 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1n50 n PRO 278 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n50 n GLU 279 N -0.97 0.78 -2.90 0.54 2.13 -1.26 -4.90 120.64 114.06 1n50 n GLU 279 Ca 0.17 -2.04 -0.44 0.00 0.66 0.00 0.00 57.16 55.51 1n50 n GLU 279 Cb 0.08 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.36 1n50 n GLU 279 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1n50 s PRO 280 N 0.28 3.54 0.30 5.31 0.02 -1.26 -4.80 135.00 138.39 1n50 s PRO 280 Ca 0.32 -1.62 -0.29 0.00 0.02 0.00 0.00 61.00 59.43 1n50 s PRO 280 Cb 0.22 -4.87 -0.13 0.00 0.02 0.00 0.00 34.50 29.75 1n50 s PRO 280 CO -0.21 -1.80 1.31 0.54 -0.33 0.00 0.00 177.00 176.51 1n50 n ARG 281 N 6.82 2.03 -2.96 5.54 1.74 -1.26 -4.67 116.66 123.90 1n50 n ARG 281 Ca 0.21 0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 57.60 1n50 n ARG 281 Cb 0.49 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.58 1n50 n ARG 281 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n50 s VAL 282 N -0.71 4.94 0.00 1.55 1.01 -0.64 -1.24 120.40 125.32 1n50 s VAL 282 Ca 0.60 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1n50 s VAL 282 Cb -0.61 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1n50 s VAL 282 CO 0.57 0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.77 1n50 n ALA 283 N 4.79 0.00 -1.77 5.51 0.00 0.11 -4.53 120.51 124.61 1n50 n ALA 283 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1n50 n ALA 283 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1n50 n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n50 s ALA 284 N -3.45 3.24 -0.03 0.00 0.00 -0.91 -4.49 121.76 116.13 1n50 s ALA 284 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1n50 s ALA 284 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1n50 s ALA 284 CO 0.00 -0.10 -0.11 0.42 0.00 0.00 0.00 175.76 175.97 1n50 s ILE 285 N -1.42 0.94 0.01 0.00 1.01 -1.26 -0.67 121.20 119.81 1n50 s ILE 285 Ca 0.50 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1n50 s ILE 285 Cb -0.26 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1n50 s ILE 285 CO 0.32 0.29 -0.04 -0.51 0.00 0.00 0.00 174.94 175.00 1n50 s ILE 286 N 0.21 0.28 0.03 2.92 2.07 -0.59 -4.84 121.20 121.28 1n50 s ILE 286 Ca -0.04 -0.34 -0.19 0.00 -1.41 0.00 0.00 60.65 58.67 1n50 s ILE 286 Cb -0.10 -0.28 -0.06 0.00 0.13 0.00 0.00 42.46 42.16 1n50 s ILE 286 CO 0.01 -0.04 0.56 0.00 -1.91 0.00 0.00 174.94 173.56 1n50 s ALA 287 N -0.38 3.56 0.23 1.50 0.00 -1.26 -0.04 121.76 125.37 1n50 s ALA 287 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 1n50 s ALA 287 Cb -0.03 -2.65 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 1n50 s ALA 287 CO -0.00 0.32 0.92 0.45 0.00 0.00 0.00 175.76 177.45 1n50 s SER 288 N -0.74 7.62 -0.00 0.00 0.15 -0.44 -4.84 113.70 115.45 1n50 s SER 288 Ca 0.29 1.92 0.22 0.00 0.70 0.00 0.00 55.95 59.07 1n50 s SER 288 Cb -0.19 -2.60 -0.18 0.00 -1.71 0.00 0.00 66.02 61.34 1n50 s SER 288 CO 0.18 0.16 0.88 1.41 1.20 0.00 0.00 173.24 177.07 1n50 n HIS 289 N 1.51 0.02 0.01 3.44 8.25 -1.26 -3.84 115.22 123.35 1n50 n HIS 289 Ca -0.02 0.01 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 1n50 n HIS 289 Cb 0.47 -0.12 -0.14 0.00 1.12 0.00 0.00 29.99 31.32 1n50 n HIS 289 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1n50 h GLU 290 N 0.00 0.22 -4.30 -0.41 4.39 -1.87 -3.45 114.58 109.15 1n50 h GLU 290 Ca 0.00 -0.37 -0.14 0.00 0.34 0.00 0.00 59.36 59.20 1n50 h GLU 290 Cb 0.59 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.23 1n50 h GLU 290 CO 0.00 1.04 -0.68 -1.01 -1.16 0.00 0.00 179.01 177.21 1n50 s HIS 291 N -2.58 0.60 -1.09 4.33 3.76 -1.26 -5.02 115.29 114.03 1n50 s HIS 291 Ca -0.16 -1.07 -0.18 0.00 -0.15 0.00 0.00 55.06 53.49 1n50 s HIS 291 Cb 0.07 -0.41 -0.07 0.00 1.11 0.00 0.00 32.58 33.28 1n50 s HIS 291 CO 0.80 -0.37 2.06 -0.35 -0.85 0.00 0.00 174.74 176.03 1n50 n PRO 292 N 0.07 2.12 -4.18 8.40 -0.04 -1.26 -4.53 135.00 135.58 1n50 n PRO 292 Ca -0.13 -2.20 -0.11 0.00 -0.04 0.00 0.00 63.50 61.02 1n50 n PRO 292 Cb 0.61 -3.10 -0.10 0.00 -0.04 0.00 0.00 33.50 30.87 1n50 n PRO 292 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1n50 s GLU 293 N 4.22 1.02 -0.08 0.54 2.02 -1.26 -1.12 118.70 124.04 1n50 s GLU 293 Ca 0.53 -1.50 0.05 0.00 0.02 0.00 0.00 54.97 54.07 1n50 s GLU 293 Cb 0.14 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.49 1n50 s GLU 293 CO 0.03 -0.26 -0.24 -0.06 0.02 0.00 0.00 175.26 174.75 1n50 s PHE 294 N -3.98 2.52 -0.42 1.61 0.08 -0.56 -1.33 117.98 115.90 1n50 s PHE 294 Ca 0.27 -0.86 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 1n50 s PHE 294 Cb 0.07 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1n50 s PHE 294 CO 0.04 -0.30 0.29 0.42 -0.10 0.00 0.00 175.22 175.57 1n50 s ILE 295 N 0.08 4.71 -0.12 0.64 1.01 0.94 -0.76 121.20 127.70 1n50 s ILE 295 Ca -0.11 -1.07 -0.06 0.00 0.00 0.00 0.00 60.65 59.41 1n50 s ILE 295 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1n50 s ILE 295 CO 0.06 -0.43 0.11 -0.69 0.00 0.00 0.00 174.94 173.99 1n50 s VAL 296 N 1.55 5.24 -0.25 2.92 1.01 -0.13 -1.54 120.40 129.20 1n50 s VAL 296 Ca 0.03 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1n50 s VAL 296 Cb -0.22 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1n50 s VAL 296 CO 0.06 0.60 0.13 0.20 0.00 0.00 0.00 175.10 176.08 1n50 s ASN 297 N -0.85 5.67 -0.38 3.32 0.01 0.16 -1.15 114.94 121.71 1n50 s ASN 297 Ca 0.14 -0.05 -0.08 0.00 -0.71 0.00 0.00 52.86 52.15 1n50 s ASN 297 Cb -0.12 -2.03 0.06 0.00 0.41 0.00 0.00 41.25 39.57 1n50 s ASN 297 CO 0.03 -0.00 0.19 -0.69 -1.51 0.00 0.00 177.10 175.12 1n50 s VAL 298 N 1.45 4.08 0.00 1.60 1.01 0.68 0.04 120.40 129.25 1n50 s VAL 298 Ca 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1n50 s VAL 298 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1n50 s VAL 298 CO 0.06 -0.35 0.00 1.17 0.00 0.00 0.00 175.10 175.98 1n50 n LYS 299 N 4.88 0.00 -0.34 2.72 4.81 -0.37 -1.63 118.16 128.22 1n50 n LYS 299 Ca -0.11 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.52 1n50 n LYS 299 Cb 0.44 -0.48 0.41 0.00 0.02 0.00 0.00 35.03 35.41 1n50 n LYS 299 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1n50 h GLU 300 N 0.00 0.52 0.00 1.64 3.07 -1.87 0.46 114.58 118.40 1n50 h GLU 300 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1n50 h GLU 300 Cb 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1n50 h GLU 300 CO 0.00 0.34 -0.13 1.79 -1.40 0.00 0.00 179.01 179.61 1n50 h THR 301 N 0.54 0.00 -4.89 1.13 1.35 -1.90 -3.41 112.91 105.73 1n50 h THR 301 Ca 0.65 -0.58 -0.26 0.00 -0.55 0.00 0.00 66.41 65.67 1n50 h THR 301 Cb 1.31 1.50 0.14 0.00 -1.73 0.00 0.00 68.15 69.36 1n50 h THR 301 CO -0.47 0.00 -0.61 0.61 -0.25 0.00 0.00 175.52 174.80 1n50 n GLY 302 N 1.27 -0.23 3.32 5.82 0.00 0.15 -0.57 105.19 114.96 1n50 n GLY 302 Ca 0.05 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1n50 n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 s LYS 303 N -5.01 1.93 -0.25 1.61 3.01 -0.75 -1.66 119.74 118.61 1n50 s LYS 303 Ca 0.02 -1.00 -0.03 0.00 -1.01 0.00 0.00 55.97 53.96 1n50 s LYS 303 Cb -0.00 -1.97 0.02 0.00 -1.01 0.00 0.00 37.83 34.87 1n50 s LYS 303 CO 0.58 0.53 -0.04 0.08 0.51 0.00 0.00 175.35 177.01 1n50 s VAL 304 N -0.69 3.09 -0.14 3.17 1.01 0.95 -0.23 120.40 127.56 1n50 s VAL 304 Ca 0.11 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1n50 s VAL 304 Cb -0.10 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1n50 s VAL 304 CO 0.00 0.21 0.15 -0.76 0.00 0.00 0.00 175.10 174.70 1n50 s LEU 305 N 1.37 4.34 -0.41 3.92 1.43 -0.30 -0.48 118.68 128.55 1n50 s LEU 305 Ca 0.01 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1n50 s LEU 305 Cb -0.16 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.04 1n50 s LEU 305 CO -0.03 0.34 0.24 -0.76 0.23 0.00 0.00 176.35 176.37 1n50 s LEU 306 N -0.65 5.08 -0.41 1.79 1.43 0.84 -0.95 118.68 125.81 1n50 s LEU 306 Ca 0.13 -1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 51.56 1n50 s LEU 306 Cb -0.12 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1n50 s LEU 306 CO 0.03 -0.52 0.41 -0.69 0.23 0.00 0.00 176.35 175.81 1n50 s VAL 307 N 1.40 5.12 -0.18 -1.59 1.01 0.06 -1.11 120.40 125.10 1n50 s VAL 307 Ca 0.03 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1n50 s VAL 307 Cb -0.23 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1n50 s VAL 307 CO 0.02 -0.36 0.92 0.21 0.00 0.00 0.00 175.10 175.89 1n50 s ASN 308 N 1.78 7.03 0.00 3.32 3.84 -0.38 -1.50 114.94 129.03 1n50 s ASN 308 Ca 0.11 1.27 0.22 0.00 0.21 0.00 0.00 52.86 54.68 1n50 s ASN 308 Cb -0.17 -2.49 0.63 0.00 -0.55 0.00 0.00 41.25 38.66 1n50 s ASN 308 CO 0.13 -0.50 1.53 0.00 -2.79 0.00 0.00 177.10 175.47 1n50 n TYR 309 N 5.60 0.94 0.25 0.43 0.18 -0.27 -4.23 117.16 120.05 1n50 n TYR 309 Ca 0.07 -0.47 0.15 0.00 1.88 0.00 0.00 57.90 59.53 1n50 n TYR 309 Cb 0.48 0.00 0.83 0.00 -0.38 0.00 0.00 39.34 40.27 1n50 n TYR 309 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1n50 h LYS 310 N 4.25 0.00 -1.62 -3.48 3.64 -1.93 -3.32 116.57 114.11 1n50 h LYS 310 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1n50 h LYS 310 Cb 0.97 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.52 1n50 h LYS 310 CO 0.00 0.00 -0.55 0.34 -2.27 0.00 0.00 179.45 176.97 1n50 s ASP 311 N -6.17 0.19 0.00 4.20 2.15 -1.26 -5.02 116.67 110.75 1n50 s ASP 311 Ca -0.05 -0.64 0.30 0.00 0.43 0.00 0.00 52.55 52.58 1n50 s ASP 311 Cb 0.16 1.16 1.42 0.00 -0.30 0.00 0.00 42.92 45.36 1n50 s ASP 311 CO 0.57 -0.31 1.98 2.30 -0.17 0.00 0.00 175.17 179.55 1n50 n ILE 312 N 5.02 0.00 0.04 4.11 -5.35 -1.25 -3.34 119.36 118.59 1n50 n ILE 312 Ca 0.04 -0.03 -0.14 0.00 -0.27 0.00 0.00 62.75 62.35 1n50 n ILE 312 Cb 0.50 -0.30 -0.04 0.00 -1.74 0.00 0.00 39.64 38.05 1n50 n ILE 312 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1n50 h ASP 313 N 0.28 0.66 -3.52 7.28 3.32 -1.95 -3.37 116.42 119.12 1n50 h ASP 313 Ca 0.00 -0.49 -0.62 0.00 0.02 0.00 0.00 57.03 55.94 1n50 h ASP 313 Cb 0.29 -0.20 -0.41 0.00 0.22 0.00 0.00 39.33 39.23 1n50 h ASP 313 CO 0.00 1.28 -0.67 0.20 -1.72 0.00 0.00 179.24 178.33 1n50 s ASN 314 N -7.10 4.08 0.18 6.45 0.02 -1.21 -5.09 114.94 112.26 1n50 s ASN 314 Ca -0.07 -3.23 -0.32 0.00 -1.02 0.00 0.00 52.86 48.22 1n50 s ASN 314 Cb 0.09 -1.38 -0.11 0.00 0.02 0.00 0.00 41.25 39.87 1n50 s ASN 314 CO 0.88 -0.18 1.62 -0.22 0.02 0.00 0.00 177.10 179.22 1n50 s LEU 315 N -0.53 4.37 -0.20 0.60 2.96 -1.25 -4.82 118.68 119.81 1n50 s LEU 315 Ca 0.21 2.70 -0.03 0.00 -0.22 0.00 0.00 54.13 56.79 1n50 s LEU 315 Cb -0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1n50 s LEU 315 CO -0.08 -0.88 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.14 1n50 s THR 316 N 1.16 3.45 -0.08 3.68 2.01 -1.26 -5.04 115.64 119.56 1n50 s THR 316 Ca 0.72 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1n50 s THR 316 Cb -0.46 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1n50 s THR 316 CO 0.31 0.44 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.84 1n50 s VAL 317 N 1.15 1.46 -0.26 3.82 1.01 -1.26 -1.25 120.40 125.07 1n50 s VAL 317 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1n50 s VAL 317 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1n50 s VAL 317 CO -0.01 0.43 0.11 -0.89 0.00 0.00 0.00 175.10 174.75 1n50 s THR 318 N 0.65 4.71 -0.41 3.92 2.01 -0.26 -4.92 115.64 121.34 1n50 s THR 318 Ca -0.14 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 1n50 s THR 318 Cb -0.16 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.15 1n50 s THR 318 CO 0.04 0.31 0.31 -0.55 -0.69 0.00 0.00 174.62 174.04 1n50 s SER 319 N 1.59 6.11 -0.21 3.53 0.15 -1.26 -0.11 113.70 123.50 1n50 s SER 319 Ca 0.06 -0.88 -0.09 0.00 0.70 0.00 0.00 55.95 55.74 1n50 s SER 319 Cb -0.15 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1n50 s SER 319 CO 0.06 -0.45 0.10 -0.63 1.20 0.00 0.00 173.24 173.52 1n50 s ILE 320 N 1.70 4.95 0.08 6.45 1.01 0.37 -4.96 121.20 130.81 1n50 s ILE 320 Ca 0.05 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 1n50 s ILE 320 Cb -0.19 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1n50 s ILE 320 CO 0.10 0.40 0.69 -0.83 0.00 0.00 0.00 174.94 175.31 1n50 s GLY 321 N 0.78 2.77 0.00 6.18 0.00 -1.26 -0.03 107.32 115.76 1n50 s GLY 321 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1n50 s GLY 321 CO 0.02 0.81 0.00 0.00 0.00 0.00 0.00 173.10 173.93 1n50 n ALA 322 N 2.15 1.13 -3.53 3.20 0.00 -0.67 -4.87 120.51 117.92 1n50 n ALA 322 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1n50 n ALA 322 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1n50 n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n50 s ALA 323 N -2.00 -1.73 0.54 0.00 0.00 -1.22 -5.02 121.76 112.33 1n50 s ALA 323 Ca 0.00 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 1n50 s ALA 323 Cb 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1n50 s ALA 323 CO 0.00 -0.36 1.08 -2.30 0.00 0.00 0.00 175.76 174.18 1n50 n PRO 324 N 1.31 1.23 -2.98 0.00 -0.02 -1.26 -3.94 135.00 129.33 1n50 n PRO 324 Ca -0.18 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1n50 n PRO 324 Cb 0.57 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1n50 n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1n50 n PHE 325 N -1.24 -1.43 -1.97 6.00 3.72 -0.77 -4.33 117.46 117.44 1n50 n PHE 325 Ca 0.12 0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 57.64 1n50 n PHE 325 Cb 0.45 -3.34 -0.01 0.00 -0.94 0.00 0.00 39.48 35.63 1n50 n PHE 325 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1n50 s LEU 326 N -4.37 4.38 0.00 4.37 1.43 -1.21 -2.76 118.68 120.51 1n50 s LEU 326 Ca 0.21 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1n50 s LEU 326 Cb -0.09 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1n50 s LEU 326 CO 0.39 -0.70 0.00 1.57 0.23 0.00 0.00 176.35 177.84 1n50 n HIS 327 N 1.13 0.00 -3.13 0.29 -0.00 0.04 -3.92 115.22 109.63 1n50 n HIS 327 Ca 0.02 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.01 1n50 n HIS 327 Cb 0.40 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.32 1n50 n HIS 327 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1n50 s ASP 328 N 1.00 5.15 0.00 0.26 -4.77 -1.26 -2.14 116.67 114.91 1n50 s ASP 328 Ca 0.00 -0.81 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 1n50 s ASP 328 Cb 0.00 0.11 0.00 0.00 -1.09 0.00 0.00 42.92 41.94 1n50 s ASP 328 CO 0.00 -1.19 0.00 0.61 0.70 0.00 0.00 175.17 175.29 1n50 n GLY 329 N -2.11 -2.24 3.46 2.12 0.00 -0.57 -0.28 105.19 105.58 1n50 n GLY 329 Ca 0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1n50 n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n50 n GLY 330 N -0.55 0.58 3.79 -0.02 0.00 -0.81 -4.22 105.19 103.96 1n50 n GLY 330 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1n50 n GLY 330 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n50 s TRP 331 N -2.44 2.80 0.78 1.61 0.23 -1.26 -0.43 118.94 120.23 1n50 s TRP 331 Ca 0.22 1.28 -0.05 0.00 -2.03 0.00 0.00 56.10 55.52 1n50 s TRP 331 Cb -0.02 -3.06 0.14 0.00 0.03 0.00 0.00 33.47 30.56 1n50 s TRP 331 CO 0.04 -1.73 1.07 0.16 0.96 0.00 0.00 176.95 177.46 1n50 s ASP 332 N -3.75 4.08 0.37 2.95 -4.77 -0.83 -4.82 116.67 109.90 1n50 s ASP 332 Ca 0.60 -0.15 0.11 0.00 -3.30 0.00 0.00 52.55 49.82 1n50 s ASP 332 Cb -0.15 -0.17 0.88 0.00 -1.09 0.00 0.00 42.92 42.38 1n50 s ASP 332 CO 0.55 -2.05 1.86 0.77 0.70 0.00 0.00 175.17 177.00 1n50 h SER 333 N -0.80 0.60 1.57 2.11 4.64 -1.90 -1.46 113.55 118.31 1n50 h SER 333 Ca -0.39 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1n50 h SER 333 Cb 1.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1n50 h SER 333 CO 0.41 0.28 0.00 0.77 -0.87 0.00 0.00 176.83 177.42 1n50 h SER 334 N 0.63 0.00 -2.88 4.97 4.64 -1.93 -3.48 113.55 115.50 1n50 h SER 334 Ca 0.46 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.60 1n50 h SER 334 Cb 0.84 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.98 1n50 h SER 334 CO -0.21 0.00 -0.30 1.41 -0.87 0.00 0.00 176.83 176.86 1n50 n HIS 335 N -2.53 -1.17 0.00 4.77 8.25 -0.55 -4.93 115.22 119.06 1n50 n HIS 335 Ca 0.05 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1n50 n HIS 335 Cb 0.44 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.79 1n50 n HIS 335 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1n50 n ARG 336 N -2.45 3.26 -3.83 -0.41 0.63 -1.26 -4.69 116.66 107.91 1n50 n ARG 336 Ca -0.02 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.55 1n50 n ARG 336 Cb 0.54 -0.95 -0.12 0.00 0.45 0.00 0.00 32.46 32.38 1n50 n ARG 336 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1n50 s TYR 337 N -1.90 3.08 -0.57 -0.14 2.02 -1.26 -1.14 117.35 117.44 1n50 s TYR 337 Ca 0.00 -0.42 -0.24 0.00 -0.37 0.00 0.00 57.07 56.04 1n50 s TYR 337 Cb 0.00 -2.20 0.05 0.00 -0.40 0.00 0.00 41.96 39.41 1n50 s TYR 337 CO 0.00 -0.32 0.93 0.12 -1.57 0.00 0.00 175.55 174.71 1n50 s PHE 338 N 1.44 2.78 -0.82 2.71 5.36 0.37 -1.96 117.98 127.86 1n50 s PHE 338 Ca 0.05 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.67 1n50 s PHE 338 Cb -0.15 -4.08 0.09 0.00 -0.34 0.00 0.00 43.02 38.54 1n50 s PHE 338 CO 0.03 -1.39 1.10 -1.64 -1.46 0.00 0.00 175.22 171.85 1n50 s MET 339 N 3.91 3.38 0.11 10.12 -1.94 0.43 -1.25 119.30 134.05 1n50 s MET 339 Ca 0.28 -1.26 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1n50 s MET 339 Cb -0.14 -4.65 -0.04 0.00 2.01 0.00 0.00 34.83 32.01 1n50 s MET 339 CO 0.17 -1.85 -0.00 -0.08 -0.01 0.00 0.00 175.02 173.25 1n50 s THR 340 N 3.59 3.92 -0.19 2.05 -1.32 -0.19 -1.93 115.64 121.58 1n50 s THR 340 Ca 0.30 -1.10 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1n50 s THR 340 Cb -0.09 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 1n50 s THR 340 CO -0.01 0.07 0.05 0.00 -2.21 0.00 0.00 174.62 172.52 1n50 s ALA 341 N -1.40 3.33 -1.14 11.08 0.00 0.62 0.68 121.76 134.94 1n50 s ALA 341 Ca 0.26 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1n50 s ALA 341 Cb -0.11 -1.89 0.26 0.00 0.00 0.00 0.00 23.12 21.38 1n50 s ALA 341 CO 0.18 0.11 1.35 0.00 0.00 0.00 0.00 175.76 177.40 1n50 n ALA 342 N 3.69 4.58 -0.22 0.00 0.00 -0.06 -0.78 120.51 127.72 1n50 n ALA 342 Ca -0.17 -4.62 -0.08 0.00 0.00 0.00 0.00 53.44 48.57 1n50 n ALA 342 Cb 0.52 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 1n50 n ALA 342 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1n50 h ASN 343 N 6.26 -1.51 0.56 0.00 7.08 -1.72 -0.95 115.58 125.29 1n50 h ASN 343 Ca 0.23 0.25 0.00 0.00 -3.08 0.00 0.00 56.30 53.70 1n50 h ASN 343 Cb 0.77 0.69 0.00 0.00 -2.08 0.00 0.00 38.32 37.70 1n50 h ASN 343 CO 1.20 -0.33 0.00 0.59 -2.08 0.00 0.00 177.43 176.82 1n50 n ASN 344 N -5.40 0.49 -0.49 6.14 5.03 -1.26 -1.24 115.26 118.52 1n50 n ASN 344 Ca 0.02 0.64 0.13 0.00 0.87 0.00 0.00 54.58 56.23 1n50 n ASN 344 Cb 0.35 -0.73 0.27 0.00 -1.02 0.00 0.00 39.78 38.65 1n50 n ASN 344 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1n50 n SER 345 N -2.05 1.74 -3.89 6.41 7.64 -0.43 -4.96 113.62 118.08 1n50 n SER 345 Ca 0.02 -1.39 -0.26 0.00 1.01 0.00 0.00 58.87 58.24 1n50 n SER 345 Cb 0.18 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.55 1n50 n SER 345 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1n50 n ASN 346 N 0.06 -1.88 -4.01 6.43 3.02 -0.37 -4.97 115.26 113.55 1n50 n ASN 346 Ca 0.13 -0.90 -0.08 0.00 -0.03 0.00 0.00 54.58 53.70 1n50 n ASN 346 Cb 0.42 -3.53 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 1n50 n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n50 s LYS 347 N -6.42 0.81 -0.13 3.52 1.02 -1.11 -2.12 119.74 115.31 1n50 s LYS 347 Ca 0.23 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 55.06 1n50 s LYS 347 Cb -0.12 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 1n50 s LYS 347 CO 0.86 -0.23 -0.20 0.08 -0.92 0.00 0.00 175.35 174.94 1n50 s VAL 348 N -3.93 1.87 0.02 3.17 1.01 0.19 -0.88 120.40 121.85 1n50 s VAL 348 Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1n50 s VAL 348 Cb 0.06 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1n50 s VAL 348 CO -0.07 0.51 0.39 0.00 0.00 0.00 0.00 175.10 175.93 1n50 s ALA 349 N 0.90 3.72 -0.23 5.51 0.00 0.21 -0.42 121.76 131.45 1n50 s ALA 349 Ca -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1n50 s ALA 349 Cb -0.15 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1n50 s ALA 349 CO -0.02 0.52 -0.08 0.08 0.00 0.00 0.00 175.76 176.26 1n50 s VAL 350 N -1.20 2.84 -0.32 0.00 1.01 -0.79 -1.03 120.40 120.91 1n50 s VAL 350 Ca 0.27 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1n50 s VAL 350 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1n50 s VAL 350 CO 0.15 0.31 0.15 -0.63 0.00 0.00 0.00 175.10 175.08 1n50 s ILE 351 N 1.35 4.52 -0.54 2.22 -1.09 -0.38 -0.72 121.20 126.55 1n50 s ILE 351 Ca 0.02 -0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 57.64 1n50 s ILE 351 Cb -0.15 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1n50 s ILE 351 CO -0.06 0.02 1.32 -0.62 -1.23 0.00 0.00 174.94 174.38 1n50 s ASP 352 N 1.59 6.29 0.46 3.58 -1.08 -0.20 -0.48 116.67 126.83 1n50 s ASP 352 Ca 0.04 0.30 0.27 0.00 -0.52 0.00 0.00 52.55 52.64 1n50 s ASP 352 Cb -0.17 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.52 1n50 s ASP 352 CO 0.06 -1.57 1.76 0.77 0.52 0.00 0.00 175.17 176.71 1n50 h SER 353 N 10.40 0.00 0.00 -0.34 4.64 -1.43 0.18 113.55 127.00 1n50 h SER 353 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1n50 h SER 353 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1n50 h SER 353 CO 1.17 0.00 -0.05 0.50 -0.87 0.00 0.00 176.83 177.58 1n50 h LYS 354 N 0.00 0.00 0.00 4.77 3.64 -1.90 -3.36 116.57 119.71 1n50 h LYS 354 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n50 h LYS 354 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1n50 h LYS 354 CO 0.00 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 176.74 1n50 h ASP 355 N -0.88 0.00 -5.41 4.20 3.32 -1.96 -3.48 116.42 112.21 1n50 h ASP 355 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1n50 h ASP 355 Cb 0.05 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.73 1n50 h ASP 355 CO 0.00 0.00 -0.57 0.54 -1.72 0.00 0.00 179.24 177.49 1n50 n ARG 356 N -2.33 -1.93 -3.63 3.56 1.74 0.59 -5.04 116.66 109.62 1n50 n ARG 356 Ca 0.03 1.07 -0.10 0.00 -0.77 0.00 0.00 57.85 58.08 1n50 n ARG 356 Cb 0.30 -5.79 -0.03 0.00 -1.02 0.00 0.00 32.46 25.92 1n50 n ARG 356 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1n50 s ARG 357 N -3.92 1.40 -0.57 5.56 1.70 -1.04 -5.00 118.95 117.08 1n50 s ARG 357 Ca 0.30 -0.73 -0.28 0.00 -0.47 0.00 0.00 55.73 54.55 1n50 s ARG 357 Cb -0.04 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 1n50 s ARG 357 CO 0.74 -0.61 1.19 -1.17 -1.08 0.00 0.00 175.30 174.37 1n50 s LEU 358 N -2.83 3.47 0.36 -1.89 2.96 -1.26 -1.03 118.68 118.46 1n50 s LEU 358 Ca 0.06 0.12 0.13 0.00 -0.22 0.00 0.00 54.13 54.23 1n50 s LEU 358 Cb -0.02 -3.19 0.69 0.00 0.50 0.00 0.00 46.19 44.18 1n50 s LEU 358 CO -0.05 -1.47 1.80 0.28 -1.32 0.00 0.00 176.35 175.59 1n50 h SER 359 N 9.52 0.00 0.00 3.68 0.02 -1.28 -3.48 113.55 122.01 1n50 h SER 359 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1n50 h SER 359 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1n50 h SER 359 CO 1.18 0.40 0.00 0.00 -1.14 0.00 0.00 176.83 177.27 1n50 n ALA 360 N -2.45 0.00 -3.91 3.77 0.00 -1.24 -5.01 120.51 111.67 1n50 n ALA 360 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1n50 n ALA 360 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 1n50 n ALA 360 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n50 s LEU 361 N 0.00 2.33 -0.18 0.00 1.43 -1.26 -1.89 118.68 119.11 1n50 s LEU 361 Ca 0.00 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 51.87 1n50 s LEU 361 Cb 0.00 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 1n50 s LEU 361 CO 0.00 -0.24 0.29 -0.69 0.23 0.00 0.00 176.35 175.94 1n50 s VAL 362 N 1.47 5.30 -0.02 -1.59 1.01 0.43 -4.91 120.40 122.08 1n50 s VAL 362 Ca -0.05 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1n50 s VAL 362 Cb -0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1n50 s VAL 362 CO -0.07 0.35 1.14 -1.81 0.00 0.00 0.00 175.10 174.72 1n50 s ASP 363 N 0.69 7.13 0.00 3.32 1.01 -1.26 -0.64 116.67 126.92 1n50 s ASP 363 Ca 0.15 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1n50 s ASP 363 Cb -0.13 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1n50 s ASP 363 CO 0.04 -0.49 0.00 1.33 0.21 0.00 0.00 175.17 176.27 1n50 n VAL 364 N 4.32 0.00 -0.61 -1.27 0.24 -0.90 -4.77 118.33 115.34 1n50 n VAL 364 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1n50 n VAL 364 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1n50 n VAL 364 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n50 n GLY 365 N 1.84 -1.24 3.65 7.63 0.00 -1.26 -4.85 105.19 110.95 1n50 n GLY 365 Ca 0.00 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1n50 n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 s LYS 366 N -2.02 4.19 -0.76 1.61 3.01 -1.26 -4.23 119.74 120.28 1n50 s LYS 366 Ca 0.00 1.25 -0.00 0.00 -1.01 0.00 0.00 55.97 56.20 1n50 s LYS 366 Cb 0.00 -3.68 0.00 0.00 -1.01 0.00 0.00 37.83 33.15 1n50 s LYS 366 CO 0.00 -0.73 0.67 2.41 0.51 0.00 0.00 175.35 178.22 1n50 n THR 367 N 5.52 -8.50 -1.88 2.17 -1.04 -1.25 -0.30 114.28 109.00 1n50 n THR 367 Ca 0.12 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1n50 n THR 367 Cb 0.46 -5.95 -0.01 0.00 -1.82 0.00 0.00 70.33 63.01 1n50 n THR 367 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1n50 s PRO 368 N -3.47 4.18 -0.37 -2.82 0.04 -1.26 -1.10 135.00 130.20 1n50 s PRO 368 Ca 0.01 2.47 0.02 0.00 0.04 0.00 0.00 61.00 63.54 1n50 s PRO 368 Cb -0.00 -3.03 0.15 0.00 0.04 0.00 0.00 34.50 31.66 1n50 s PRO 368 CO 0.79 -0.51 0.30 -1.58 0.04 0.00 0.00 177.00 176.04 1n50 s HIS 369 N -0.43 0.45 -0.79 0.56 2.46 -0.84 -4.40 115.29 112.30 1n50 s HIS 369 Ca 0.58 -1.53 0.26 0.00 0.47 0.00 0.00 55.06 54.83 1n50 s HIS 369 Cb -0.45 -0.74 0.65 0.00 -0.13 0.00 0.00 32.58 31.91 1n50 s HIS 369 CO 0.52 -0.88 1.56 -0.35 -2.47 0.00 0.00 174.74 173.12 1n50 n PRO 370 N 3.81 0.18 0.00 2.88 -0.04 -1.26 -4.21 135.00 136.35 1n50 n PRO 370 Ca 0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1n50 n PRO 370 Cb 0.42 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1n50 n PRO 370 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n50 n GLY 371 N 1.39 2.76 0.54 0.55 0.00 -1.26 -0.34 105.19 108.84 1n50 n GLY 371 Ca 0.05 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1n50 n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 n ARG 372 N 13.40 1.55 0.00 1.61 1.74 -1.26 -1.52 116.66 132.18 1n50 n ARG 372 Ca 0.00 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 1n50 n ARG 372 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1n50 n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n50 n GLY 373 N 1.30 -0.70 2.79 -0.13 0.00 0.54 -3.62 105.19 105.38 1n50 n GLY 373 Ca 0.14 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1n50 n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 374 N -1.36 0.86 -0.15 4.61 0.00 -0.85 -4.80 121.76 120.07 1n50 s ALA 374 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1n50 s ALA 374 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1n50 s ALA 374 CO 0.00 -0.54 0.05 -0.80 0.00 0.00 0.00 175.76 174.47 1n50 s ASN 375 N 1.91 5.57 0.16 0.00 0.01 -1.24 0.25 114.94 121.60 1n50 s ASN 375 Ca 0.04 0.13 -0.22 0.00 -0.71 0.00 0.00 52.86 52.11 1n50 s ASN 375 Cb -0.13 -1.85 0.06 0.00 0.41 0.00 0.00 41.25 39.75 1n50 s ASN 375 CO -0.06 0.26 0.57 0.72 -1.51 0.00 0.00 177.10 177.08 1n50 s PHE 376 N -0.13 -0.46 -0.24 2.20 -0.71 -0.64 -4.79 117.98 113.20 1n50 s PHE 376 Ca 0.07 0.22 -0.20 0.00 -1.04 0.00 0.00 56.93 55.97 1n50 s PHE 376 Cb -0.12 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1n50 s PHE 376 CO 0.01 -0.85 0.62 0.08 -1.34 0.00 0.00 175.22 173.74 1n50 s VAL 377 N -3.77 5.00 0.12 -2.49 1.01 -1.26 -0.80 120.40 118.22 1n50 s VAL 377 Ca 0.02 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 1n50 s VAL 377 Cb -0.01 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1n50 s VAL 377 CO -0.12 0.06 0.68 -2.28 0.00 0.00 0.00 175.10 173.44 1n50 s HIS 378 N 2.33 3.86 0.15 5.22 2.46 0.42 -4.92 115.29 124.80 1n50 s HIS 378 Ca 0.26 1.46 -0.16 0.00 0.47 0.00 0.00 55.06 57.09 1n50 s HIS 378 Cb -0.16 -2.64 0.04 0.00 -0.13 0.00 0.00 32.58 29.70 1n50 s HIS 378 CO 0.09 0.55 1.76 -1.00 -2.47 0.00 0.00 174.74 173.67 1n50 h PRO 379 N 4.40 0.29 0.07 2.88 0.13 -1.91 -1.63 132.00 136.23 1n50 h PRO 379 Ca -0.48 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.30 1n50 h PRO 379 Cb 1.21 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1n50 h PRO 379 CO 0.65 0.20 -1.83 -0.22 -0.23 0.00 0.00 178.00 176.56 1n50 h LYS 380 N 0.30 0.15 -0.02 0.86 3.64 -2.02 -3.40 116.57 116.09 1n50 h LYS 380 Ca 0.15 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1n50 h LYS 380 Cb 0.10 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1n50 h LYS 380 CO -0.14 0.90 -0.06 0.66 -2.27 0.00 0.00 179.45 178.54 1n50 n TYR 381 N -3.30 0.00 -4.15 1.91 4.01 -1.24 -5.10 117.16 109.29 1n50 n TYR 381 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1n50 n TYR 381 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1n50 n TYR 381 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n50 n GLY 382 N 1.18 -1.05 3.61 2.72 0.00 -0.61 -4.82 105.19 106.22 1n50 n GLY 382 Ca 0.11 -1.22 -0.46 0.00 0.00 0.00 0.00 46.02 44.46 1n50 n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n50 n PRO 383 N 0.00 2.06 -4.43 1.61 -0.02 -1.26 -0.44 135.00 132.52 1n50 n PRO 383 Ca 0.00 0.68 -0.22 0.00 -2.02 0.00 0.00 63.50 61.94 1n50 n PRO 383 Cb 0.00 -2.88 -0.10 0.00 -0.02 0.00 0.00 33.50 30.50 1n50 n PRO 383 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1n50 s VAL 384 N 6.10 2.00 -0.03 -1.45 -7.23 0.02 -0.85 120.40 118.96 1n50 s VAL 384 Ca 0.98 -2.25 0.06 0.00 -1.81 0.00 0.00 61.98 58.95 1n50 s VAL 384 Cb -0.55 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1n50 s VAL 384 CO 0.44 -0.41 -0.19 0.86 -0.31 0.00 0.00 175.10 175.48 1n50 s TRP 385 N -2.80 1.80 0.16 2.82 -0.00 -0.44 -1.62 118.94 118.86 1n50 s TRP 385 Ca 0.28 -0.40 0.06 0.00 -0.00 0.00 0.00 56.10 56.03 1n50 s TRP 385 Cb -0.01 -1.18 -0.04 0.00 -0.00 0.00 0.00 33.47 32.24 1n50 s TRP 385 CO 0.12 -0.08 -0.12 -1.54 -0.00 0.00 0.00 176.95 175.33 1n50 s SER 386 N -0.31 2.05 -0.02 5.86 1.04 0.14 -0.94 113.70 121.51 1n50 s SER 386 Ca 0.04 -0.98 -0.14 0.00 0.48 0.00 0.00 55.95 55.34 1n50 s SER 386 Cb -0.09 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1n50 s SER 386 CO 0.00 -0.26 0.30 0.28 0.98 0.00 0.00 173.24 174.55 1n50 s THR 387 N -3.05 0.06 0.19 2.02 -1.32 -0.81 -2.01 115.64 110.73 1n50 s THR 387 Ca 0.17 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 1n50 s THR 387 Cb 0.00 -0.60 0.02 0.00 -1.51 0.00 0.00 72.50 70.42 1n50 s THR 387 CO 0.03 -0.25 0.21 -1.54 -2.21 0.00 0.00 174.62 170.85 1n50 n SER 388 N 1.37 1.13 -4.13 8.08 3.41 -1.26 -0.65 113.62 121.57 1n50 n SER 388 Ca -0.21 -1.58 -0.09 0.00 -0.26 0.00 0.00 58.87 56.73 1n50 n SER 388 Cb 0.56 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1n50 n SER 388 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n50 s HIS 389 N -0.55 0.74 -0.14 7.33 3.76 -1.22 -1.99 115.29 123.21 1n50 s HIS 389 Ca 0.16 -1.14 0.11 0.00 -0.15 0.00 0.00 55.06 54.04 1n50 s HIS 389 Cb -0.01 -0.45 -0.24 0.00 1.11 0.00 0.00 32.58 32.99 1n50 s HIS 389 CO 0.10 -0.43 0.30 1.28 -0.85 0.00 0.00 174.74 175.14 1n50 n LEU 390 N -0.01 0.95 0.02 0.89 4.77 -0.26 -1.46 117.00 121.89 1n50 n LEU 390 Ca -0.09 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1n50 n LEU 390 Cb 0.62 0.04 0.45 0.00 -2.33 0.00 0.00 43.42 42.21 1n50 n LEU 390 CO 0.30 0.54 0.76 0.61 -1.33 0.00 0.00 177.39 178.27 1n50 n GLY 391 N 1.75 -1.46 3.80 -0.72 0.00 0.59 -1.48 105.19 107.66 1n50 n GLY 391 Ca -0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 1n50 n GLY 391 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1n50 s ASP 392 N -3.35 -0.26 -0.11 1.61 1.47 -1.23 -4.73 116.67 110.07 1n50 s ASP 392 Ca 0.12 -0.50 0.06 0.00 1.18 0.00 0.00 52.55 53.41 1n50 s ASP 392 Cb 0.17 0.64 0.35 0.00 -0.34 0.00 0.00 42.92 43.75 1n50 s ASP 392 CO 0.60 -1.18 1.08 0.61 0.68 0.00 0.00 175.17 176.96 1n50 n GLY 393 N -0.45 2.23 3.95 2.12 0.00 -1.25 -3.90 105.19 107.89 1n50 n GLY 393 Ca -0.05 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1n50 n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n50 s SER 394 N -0.31 5.58 -0.15 1.61 1.04 -1.26 -0.86 113.70 119.36 1n50 s SER 394 Ca 0.24 0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.92 1n50 s SER 394 Cb 0.18 -1.34 0.04 0.00 0.10 0.00 0.00 66.02 65.00 1n50 s SER 394 CO 0.07 -0.93 -0.01 -0.63 0.98 0.00 0.00 173.24 172.72 1n50 s ILE 395 N -2.72 0.70 -0.10 -1.02 1.09 -0.87 -3.45 121.20 114.83 1n50 s ILE 395 Ca 0.52 -0.39 -0.22 0.00 -1.10 0.00 0.00 60.65 59.47 1n50 s ILE 395 Cb -0.10 -0.98 -0.04 0.00 -1.06 0.00 0.00 42.46 40.28 1n50 s ILE 395 CO 0.39 0.05 0.63 -0.44 -0.10 0.00 0.00 174.94 175.47 1n50 s SER 396 N 1.81 6.86 -0.25 3.58 0.01 0.17 -2.17 113.70 123.70 1n50 s SER 396 Ca 0.01 1.03 -0.05 0.00 1.31 0.00 0.00 55.95 58.25 1n50 s SER 396 Cb -0.15 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 1n50 s SER 396 CO -0.07 -0.11 0.02 -0.76 0.41 0.00 0.00 173.24 172.73 1n50 s LEU 397 N 0.92 3.35 -0.11 2.44 1.43 -0.72 -1.92 118.68 124.08 1n50 s LEU 397 Ca 0.33 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1n50 s LEU 397 Cb -0.17 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1n50 s LEU 397 CO 0.15 -0.09 -0.12 -0.63 0.23 0.00 0.00 176.35 175.89 1n50 s ILE 398 N 1.50 3.15 0.09 -0.59 1.01 -0.12 -0.87 121.20 125.37 1n50 s ILE 398 Ca 0.04 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 1n50 s ILE 398 Cb -0.16 -2.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 1n50 s ILE 398 CO 0.00 0.54 1.36 -0.83 0.00 0.00 0.00 174.94 176.02 1n50 s GLY 399 N 0.00 2.02 -0.31 6.18 0.00 -1.02 -1.33 107.32 112.87 1n50 s GLY 399 Ca -0.03 1.04 0.07 0.00 0.00 0.00 0.00 44.72 45.79 1n50 s GLY 399 CO 0.04 2.33 1.23 -1.30 0.00 0.00 0.00 173.10 175.40 1n50 n THR 400 N 4.07 2.58 -3.55 0.90 -2.24 -0.03 -0.42 114.28 115.58 1n50 n THR 400 Ca 0.11 -4.13 -0.29 0.00 -2.27 0.00 0.00 64.05 57.47 1n50 n THR 400 Cb 0.43 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.42 1n50 n THR 400 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n50 s ASP 401 N -3.51 2.95 0.14 3.42 2.15 -1.26 -4.94 116.67 115.61 1n50 s ASP 401 Ca 0.51 -2.63 -0.16 0.00 0.43 0.00 0.00 52.55 50.70 1n50 s ASP 401 Cb 0.41 -0.69 -0.00 0.00 -0.30 0.00 0.00 42.92 42.35 1n50 s ASP 401 CO 0.04 -0.25 1.71 -0.65 -0.17 0.00 0.00 175.17 175.85 1n50 h PRO 402 N 6.51 0.58 0.82 4.34 0.11 -1.92 -1.61 132.00 140.83 1n50 h PRO 402 Ca 0.09 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1n50 h PRO 402 Cb 0.93 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.94 1n50 h PRO 402 CO 0.39 0.51 -0.40 0.87 -0.21 0.00 0.00 178.00 179.16 1n50 h LYS 403 N 0.51 -1.07 -0.68 1.05 6.56 -2.00 -3.27 116.57 117.67 1n50 h LYS 403 Ca 0.14 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1n50 h LYS 403 Cb 0.13 0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1n50 h LYS 403 CO -0.02 -0.71 0.00 0.09 -2.06 0.00 0.00 179.45 176.75 1n50 n ASN 404 N -5.07 3.90 -2.69 0.86 3.02 -1.25 -4.59 115.26 109.43 1n50 n ASN 404 Ca -0.14 -2.00 -0.08 0.00 -0.03 0.00 0.00 54.58 52.33 1n50 n ASN 404 Cb 0.44 -0.45 0.09 0.00 -0.61 0.00 0.00 39.78 39.25 1n50 n ASN 404 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1n50 n HIS 405 N 1.66 -1.29 0.10 3.10 8.25 -0.60 -4.99 115.22 121.44 1n50 n HIS 405 Ca 0.24 -2.23 0.20 0.00 -0.26 0.00 0.00 57.72 55.68 1n50 n HIS 405 Cb 0.63 0.95 0.72 0.00 1.12 0.00 0.00 29.99 33.41 1n50 n HIS 405 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1n50 h PRO 406 N 2.35 0.00 -0.16 -0.41 0.11 -1.63 -0.64 132.00 131.63 1n50 h PRO 406 Ca -0.21 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.82 1n50 h PRO 406 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1n50 h PRO 406 CO 0.12 0.00 -0.25 1.96 -0.21 0.00 0.00 178.00 179.63 1n50 h GLN 407 N 0.00 0.29 0.00 1.05 7.50 -1.92 -3.31 115.11 118.72 1n50 h GLN 407 Ca 0.19 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.25 1n50 h GLN 407 Cb 1.19 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1n50 h GLN 407 CO -0.00 0.52 -1.12 0.66 -1.50 0.00 0.00 178.83 177.38 1n50 n TYR 408 N -4.16 0.00 -1.68 2.96 4.01 -0.29 -4.96 117.16 113.04 1n50 n TYR 408 Ca -0.01 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.26 1n50 n TYR 408 Cb 0.37 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1n50 n TYR 408 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n50 n ALA 409 N -1.64 1.19 -3.20 -0.72 0.00 -0.91 -2.12 120.51 113.11 1n50 n ALA 409 Ca -0.00 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1n50 n ALA 409 Cb 0.27 -2.43 0.05 0.00 0.00 0.00 0.00 19.45 17.34 1n50 n ALA 409 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1n50 n TRP 410 N 4.98 -2.18 -4.99 0.00 5.03 0.44 -4.93 117.44 115.78 1n50 n TRP 410 Ca 0.19 0.68 -0.28 0.00 3.03 0.00 0.00 57.50 61.13 1n50 n TRP 410 Cb 0.30 -4.45 -0.16 0.00 -1.03 0.00 0.00 31.31 25.97 1n50 n TRP 410 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1n50 s LYS 411 N -5.87 1.88 -1.18 -0.99 1.02 -0.90 -4.79 119.74 108.91 1n50 s LYS 411 Ca 0.39 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.44 1n50 s LYS 411 Cb -0.17 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 1n50 s LYS 411 CO 0.49 0.36 1.88 0.21 -0.92 0.00 0.00 175.35 177.36 1n50 s LYS 412 N -0.22 2.83 0.57 1.68 2.20 -1.26 -2.43 119.74 123.10 1n50 s LYS 412 Ca 0.01 -1.26 0.26 0.00 -0.36 0.00 0.00 55.97 54.62 1n50 s LYS 412 Cb -0.10 -5.29 1.59 0.00 -1.51 0.00 0.00 37.83 32.52 1n50 s LYS 412 CO 0.01 -3.54 2.14 -0.24 -0.36 0.00 0.00 175.35 173.36 1n50 h VAL 413 N 6.16 0.62 -1.67 4.02 3.04 -1.33 -3.46 116.25 123.63 1n50 h VAL 413 Ca 0.25 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 66.22 1n50 h VAL 413 Cb 0.93 0.90 -0.12 0.00 -2.01 0.00 0.00 31.29 30.99 1n50 h VAL 413 CO 1.28 0.00 0.74 0.00 -1.01 0.00 0.00 177.57 178.58 1n50 s ALA 414 N -4.77 -2.08 0.16 3.17 0.00 -1.21 -5.04 121.76 112.00 1n50 s ALA 414 Ca -0.05 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1n50 s ALA 414 Cb 0.16 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1n50 s ALA 414 CO 0.59 -0.97 -0.11 -1.21 0.00 0.00 0.00 175.76 174.07 1n50 s GLU 415 N -2.63 1.10 0.20 0.00 2.02 -1.26 -1.75 118.70 116.38 1n50 s GLU 415 Ca 0.13 -1.47 0.05 0.00 0.02 0.00 0.00 54.97 53.69 1n50 s GLU 415 Cb 0.02 -0.70 -0.05 0.00 0.10 0.00 0.00 34.13 33.51 1n50 s GLU 415 CO -0.03 0.09 -0.06 -0.51 0.02 0.00 0.00 175.26 174.77 1n50 s LEU 416 N -3.19 2.39 -0.11 1.80 1.43 -0.92 -4.95 118.68 115.12 1n50 s LEU 416 Ca 0.18 -1.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1n50 s LEU 416 Cb 0.02 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.88 1n50 s LEU 416 CO 0.01 -0.39 -0.15 -1.10 0.23 0.00 0.00 176.35 174.95 1n50 s GLN 417 N -3.78 2.24 0.00 1.70 -1.52 -1.26 -2.05 119.66 114.99 1n50 s GLN 417 Ca 0.23 -0.57 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 1n50 s GLN 417 Cb 0.04 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1n50 s GLN 417 CO 0.06 -0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.44 1n50 n GLY 418 N 4.20 2.23 0.30 3.09 0.00 -0.04 -4.74 105.19 110.23 1n50 n GLY 418 Ca -0.19 -2.06 0.18 0.00 0.00 0.00 0.00 46.02 43.95 1n50 n GLY 418 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n50 h GLN 419 N 0.00 0.00 0.00 1.61 4.20 -1.94 -3.48 115.11 115.50 1n50 h GLN 419 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n50 h GLN 419 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n50 h GLN 419 CO 0.00 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 1n50 n GLY 420 N -0.73 0.44 2.89 3.46 0.00 -1.26 -5.00 105.19 105.00 1n50 n GLY 420 Ca -0.02 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1n50 n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n50 n GLY 421 N -0.12 -2.91 1.85 -0.02 0.00 -1.25 -3.86 105.19 98.88 1n50 n GLY 421 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1n50 n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n50 n GLY 422 N -3.79 0.43 3.79 -0.02 0.00 -0.55 -4.24 105.19 100.81 1n50 n GLY 422 Ca 0.13 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1n50 n GLY 422 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n50 s SER 423 N -2.88 7.28 -0.07 1.61 0.15 -0.54 -1.44 113.70 117.81 1n50 s SER 423 Ca 0.00 1.58 -0.01 0.00 0.70 0.00 0.00 55.95 58.22 1n50 s SER 423 Cb 0.00 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1n50 s SER 423 CO 0.00 0.15 -0.07 0.18 1.20 0.00 0.00 173.24 174.70 1n50 n LEU 424 N 1.30 2.39 -3.93 3.45 4.32 -1.26 -3.91 117.00 119.35 1n50 n LEU 424 Ca -0.05 -0.01 -0.17 0.00 -0.02 0.00 0.00 56.01 55.77 1n50 n LEU 424 Cb 0.49 -0.25 -0.15 0.00 -1.62 0.00 0.00 43.42 41.90 1n50 n LEU 424 CO 0.45 0.51 -0.40 -0.36 -1.22 0.00 0.00 177.39 176.36 1n50 s PHE 425 N -2.14 0.54 0.07 -1.77 0.08 -1.26 -4.16 117.98 109.33 1n50 s PHE 425 Ca -0.10 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1n50 s PHE 425 Cb 0.03 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 1n50 s PHE 425 CO 0.16 -0.06 -0.07 -1.50 -0.10 0.00 0.00 175.22 173.65 1n50 s ILE 426 N 0.23 3.58 0.09 0.64 2.07 -1.26 -2.36 121.20 124.19 1n50 s ILE 426 Ca -0.02 -1.05 -0.16 0.00 -1.41 0.00 0.00 60.65 58.01 1n50 s ILE 426 Cb -0.06 -2.64 0.03 0.00 0.13 0.00 0.00 42.46 39.92 1n50 s ILE 426 CO -0.00 0.21 0.39 -0.75 -1.91 0.00 0.00 174.94 172.87 1n50 s LYS 427 N -1.95 1.00 0.15 3.50 2.47 0.03 -4.51 119.74 120.42 1n50 s LYS 427 Ca 0.21 -0.61 -0.23 0.00 -1.56 0.00 0.00 55.97 53.78 1n50 s LYS 427 Cb -0.11 0.44 0.08 0.00 -1.46 0.00 0.00 37.83 36.78 1n50 s LYS 427 CO 0.12 -0.37 1.09 -0.08 0.16 0.00 0.00 175.35 176.27 1n50 s THR 428 N -3.33 0.00 0.02 3.43 -1.32 -1.26 -0.77 115.64 112.40 1n50 s THR 428 Ca 0.00 -0.50 -0.16 0.00 -1.21 0.00 0.00 61.69 59.82 1n50 s THR 428 Cb 0.01 -2.99 0.03 0.00 -1.51 0.00 0.00 72.50 68.04 1n50 s THR 428 CO -0.09 0.00 0.35 -2.28 -2.21 0.00 0.00 174.62 170.40 1n50 s HIS 429 N -2.05 -0.20 0.39 9.09 2.46 -1.26 -4.68 115.29 119.05 1n50 s HIS 429 Ca 0.24 0.19 0.13 0.00 0.47 0.00 0.00 55.06 56.10 1n50 s HIS 429 Cb -0.02 0.14 0.97 0.00 -0.13 0.00 0.00 32.58 33.53 1n50 s HIS 429 CO 0.05 -0.49 1.88 -1.35 -2.47 0.00 0.00 174.74 172.36 1n50 h PRO 430 N 3.38 0.51 -0.15 2.88 0.11 -1.92 -1.77 132.00 135.04 1n50 h PRO 430 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1n50 h PRO 430 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1n50 h PRO 430 CO 0.43 0.34 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 1n50 n LYS 431 N -4.53 1.90 -4.10 1.05 5.02 -1.26 -4.92 118.16 111.32 1n50 n LYS 431 Ca 0.17 -1.34 -0.30 0.00 -2.02 0.00 0.00 58.31 54.82 1n50 n LYS 431 Cb 0.56 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1n50 n LYS 431 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1n50 s SER 432 N -1.70 5.25 -0.16 4.39 0.15 -0.67 -5.01 113.70 115.96 1n50 s SER 432 Ca 0.34 -0.10 0.17 0.00 0.70 0.00 0.00 55.95 57.07 1n50 s SER 432 Cb 0.19 -1.33 0.45 0.00 -1.71 0.00 0.00 66.02 63.62 1n50 s SER 432 CO 0.29 0.18 1.33 -1.54 1.20 0.00 0.00 173.24 174.70 1n50 n SER 433 N 0.55 3.37 -4.40 5.45 3.41 -1.26 -4.67 113.62 116.07 1n50 n SER 433 Ca -0.10 -3.00 -0.28 0.00 -0.26 0.00 0.00 58.87 55.23 1n50 n SER 433 Cb 0.52 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 1n50 n SER 433 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n50 s HIS 434 N -2.78 2.31 -0.16 7.33 3.76 -1.26 -0.97 115.29 123.51 1n50 s HIS 434 Ca 0.38 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1n50 s HIS 434 Cb 0.31 -1.21 0.04 0.00 1.11 0.00 0.00 32.58 32.84 1n50 s HIS 434 CO 0.07 0.40 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.16 1n50 s LEU 435 N -2.31 1.46 0.16 0.89 2.96 -0.75 -4.54 118.68 116.55 1n50 s LEU 435 Ca 0.17 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1n50 s LEU 435 Cb -0.09 -0.82 -0.06 0.00 0.50 0.00 0.00 46.19 45.72 1n50 s LEU 435 CO 0.08 -0.20 0.40 -0.31 -1.32 0.00 0.00 176.35 175.00 1n50 s TYR 436 N 1.70 3.47 -0.13 5.38 1.51 0.05 -0.63 117.35 128.69 1n50 s TYR 436 Ca 0.01 0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 56.62 1n50 s TYR 436 Cb -0.15 -2.05 0.05 0.00 -0.11 0.00 0.00 41.96 39.71 1n50 s TYR 436 CO -0.07 0.41 0.29 0.08 -1.11 0.00 0.00 175.55 175.14 1n50 s VAL 437 N -1.68 -0.14 0.62 0.71 1.01 0.19 -0.79 120.40 120.32 1n50 s VAL 437 Ca 0.42 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.65 1n50 s VAL 437 Cb -0.12 -0.45 0.11 0.00 0.00 0.00 0.00 36.38 35.91 1n50 s VAL 437 CO 0.24 0.07 0.86 1.51 0.00 0.00 0.00 175.10 177.78 1n50 s ASP 438 N 1.59 4.88 -0.39 3.32 1.47 -1.00 -0.56 116.67 125.98 1n50 s ASP 438 Ca -0.07 -0.85 0.11 0.00 1.18 0.00 0.00 52.55 52.92 1n50 s ASP 438 Cb -0.10 0.43 0.39 0.00 -0.34 0.00 0.00 42.92 43.29 1n50 s ASP 438 CO -0.10 -1.53 1.12 0.35 0.68 0.00 0.00 175.17 175.70 1n50 n THR 439 N -2.40 0.24 -0.25 2.11 -2.24 -1.26 -4.22 114.28 106.26 1n50 n THR 439 Ca 0.17 -2.31 0.05 0.00 -2.27 0.00 0.00 64.05 59.69 1n50 n THR 439 Cb 0.62 0.85 0.18 0.00 -2.10 0.00 0.00 70.33 69.88 1n50 n THR 439 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1n50 h THR 440 N 2.33 0.56 -0.69 4.28 2.02 -1.59 -2.53 112.91 117.30 1n50 h THR 440 Ca -0.15 -0.11 -0.22 0.00 0.77 0.00 0.00 66.41 66.70 1n50 h THR 440 Cb 1.19 0.22 -0.13 0.00 -1.74 0.00 0.00 68.15 67.69 1n50 h THR 440 CO 0.19 0.06 0.25 0.49 0.37 0.00 0.00 175.52 176.88 1n50 n PHE 441 N -5.11 2.27 -2.51 3.16 3.72 -0.52 -4.83 117.46 113.64 1n50 n PHE 441 Ca 0.14 -1.26 -0.42 0.00 -0.05 0.00 0.00 57.45 55.86 1n50 n PHE 441 Cb 0.44 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 1n50 n PHE 441 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1n50 s ASN 442 N -1.27 7.20 0.00 4.37 3.84 -0.95 -4.65 114.94 123.48 1n50 s ASN 442 Ca 0.53 1.97 0.09 0.00 0.21 0.00 0.00 52.86 55.67 1n50 s ASN 442 Cb 0.43 -2.59 0.40 0.00 -0.55 0.00 0.00 41.25 38.95 1n50 s ASN 442 CO 0.12 -0.34 1.24 -0.81 -2.79 0.00 0.00 177.10 174.52 1n50 n PRO 443 N 3.38 0.04 -3.33 0.43 -0.04 -1.26 -4.52 135.00 129.71 1n50 n PRO 443 Ca 0.06 0.30 -0.39 0.00 -0.04 0.00 0.00 63.50 63.44 1n50 n PRO 443 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1n50 n PRO 443 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n50 s ASP 444 N -2.86 6.45 0.21 3.54 2.15 -1.26 -4.98 116.67 119.92 1n50 s ASP 444 Ca 0.06 0.53 -0.09 0.00 0.43 0.00 0.00 52.55 53.48 1n50 s ASP 444 Cb 0.06 -2.25 0.25 0.00 -0.30 0.00 0.00 42.92 40.67 1n50 s ASP 444 CO 0.15 -0.14 1.80 0.00 -0.17 0.00 0.00 175.17 176.81 1n50 h ALA 445 N 7.56 0.89 -0.59 3.66 0.00 -1.97 -0.60 119.26 128.21 1n50 h ALA 445 Ca -0.34 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1n50 h ALA 445 Cb 1.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1n50 h ALA 445 CO 0.71 0.03 0.25 -0.09 0.00 0.00 0.00 179.25 180.15 1n50 h ARG 446 N 0.66 0.87 -0.19 0.00 2.43 -1.95 -1.25 114.38 114.96 1n50 h ARG 446 Ca 0.30 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 1n50 h ARG 446 Cb 0.21 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1n50 h ARG 446 CO -0.19 0.74 -0.56 0.82 -1.51 0.00 0.00 179.97 179.27 1n50 h ILE 447 N 0.81 1.32 0.00 1.20 2.04 -1.86 -2.88 117.51 118.14 1n50 h ILE 447 Ca 0.20 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.18 1n50 h ILE 447 Cb 0.18 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1n50 h ILE 447 CO -0.02 0.56 -0.33 0.77 0.00 0.00 0.00 178.15 179.13 1n50 h SER 448 N 0.43 0.00 -0.40 1.72 4.64 -0.89 -3.04 113.55 116.02 1n50 h SER 448 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1n50 h SER 448 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1n50 h SER 448 CO 0.11 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1n50 n GLN 449 N -3.86 2.04 -4.26 4.77 6.02 -0.49 -2.21 117.38 119.39 1n50 n GLN 449 Ca -0.01 -1.61 -0.14 0.00 -0.01 0.00 0.00 57.00 55.22 1n50 n GLN 449 Cb 0.41 -1.38 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 1n50 n GLN 449 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1n50 s SER 450 N -1.16 1.12 0.00 1.08 1.04 -1.14 -1.88 113.70 112.76 1n50 s SER 450 Ca 0.32 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.55 1n50 s SER 450 Cb 0.17 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1n50 s SER 450 CO 0.23 -0.64 -0.16 0.68 0.98 0.00 0.00 173.24 174.34 1n50 s VAL 451 N -3.72 1.25 0.02 5.02 -7.23 -0.79 -4.16 120.40 110.78 1n50 s VAL 451 Ca 0.29 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.50 1n50 s VAL 451 Cb 0.07 -1.06 -0.06 0.00 0.56 0.00 0.00 36.38 35.89 1n50 s VAL 451 CO 0.07 0.28 0.53 0.00 -0.31 0.00 0.00 175.10 175.67 1n50 s ALA 452 N -0.49 3.57 -0.10 1.32 0.00 0.27 -1.55 121.76 124.78 1n50 s ALA 452 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1n50 s ALA 452 Cb -0.07 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1n50 s ALA 452 CO -0.00 0.31 -0.15 0.08 0.00 0.00 0.00 175.76 175.99 1n50 s VAL 453 N -0.66 1.50 0.22 0.00 1.01 -0.40 -0.64 120.40 121.43 1n50 s VAL 453 Ca 0.28 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1n50 s VAL 453 Cb -0.18 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1n50 s VAL 453 CO 0.16 0.44 0.22 -0.36 0.00 0.00 0.00 175.10 175.57 1n50 s PHE 454 N 0.91 3.23 -0.36 5.22 0.40 0.20 -1.14 117.98 126.43 1n50 s PHE 454 Ca -0.08 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 1n50 s PHE 454 Cb -0.15 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1n50 s PHE 454 CO -0.00 0.50 0.22 0.34 0.70 0.00 0.00 175.22 176.98 1n50 s ASP 455 N -3.61 5.84 0.55 1.36 2.15 -1.26 -1.81 116.67 119.89 1n50 s ASP 455 Ca 0.33 -0.77 0.31 0.00 0.43 0.00 0.00 52.55 52.84 1n50 s ASP 455 Cb -0.09 -2.07 1.62 0.00 -0.30 0.00 0.00 42.92 42.08 1n50 s ASP 455 CO 0.26 -0.33 2.13 -0.07 -0.17 0.00 0.00 175.17 176.98 1n50 h LEU 456 N 8.47 0.00 -0.08 -1.34 3.38 -1.41 -1.14 115.31 123.20 1n50 h LEU 456 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1n50 h LEU 456 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1n50 h LEU 456 CO 0.66 0.08 -0.20 0.29 0.09 0.00 0.00 178.44 179.36 1n50 n LYS 457 N -3.54 0.21 -2.94 1.13 5.02 -1.26 -4.26 118.16 112.52 1n50 n LYS 457 Ca -0.02 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.05 1n50 n LYS 457 Cb 0.20 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1n50 n LYS 457 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1n50 n ASN 458 N -1.33 -1.42 0.00 4.39 5.15 -0.48 -4.99 115.26 116.58 1n50 n ASN 458 Ca 0.09 -3.13 0.02 0.00 -0.60 0.00 0.00 54.58 50.96 1n50 n ASN 458 Cb 0.32 0.78 0.10 0.00 -0.53 0.00 0.00 39.78 40.45 1n50 n ASN 458 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1n50 n LEU 459 N 1.24 0.00 0.11 1.20 4.77 -0.91 -2.17 117.00 121.23 1n50 n LEU 459 Ca 0.14 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1n50 n LEU 459 Cb 0.61 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1n50 n LEU 459 CO 0.10 -0.38 0.30 0.44 -1.33 0.00 0.00 177.39 176.52 1n50 h ASP 460 N 0.00 0.00 -4.09 -1.43 3.32 -1.94 -3.46 116.42 108.82 1n50 h ASP 460 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 1n50 h ASP 460 Cb 0.07 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.63 1n50 h ASP 460 CO 0.00 0.60 0.37 0.00 -1.72 0.00 0.00 179.24 178.49 1n50 s ALA 461 N -2.91 2.92 0.64 3.45 0.00 -0.92 -5.03 121.76 119.92 1n50 s ALA 461 Ca 0.02 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1n50 s ALA 461 Cb 0.08 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1n50 s ALA 461 CO 0.77 -0.22 1.09 0.21 0.00 0.00 0.00 175.76 177.60 1n50 s LYS 462 N -3.35 2.97 1.00 0.00 2.20 -1.26 -4.83 119.74 116.47 1n50 s LYS 462 Ca 0.65 1.30 -0.12 0.00 -0.36 0.00 0.00 55.97 57.44 1n50 s LYS 462 Cb -0.14 -1.98 0.19 0.00 -1.51 0.00 0.00 37.83 34.39 1n50 s LYS 462 CO 0.20 -1.10 1.08 1.52 -0.36 0.00 0.00 175.35 176.69 1n50 s TYR 463 N -2.42 1.87 -0.04 4.03 -0.85 -1.26 -4.90 117.35 113.77 1n50 s TYR 463 Ca 0.65 1.27 0.01 0.00 -0.52 0.00 0.00 57.07 58.48 1n50 s TYR 463 Cb -0.19 -3.18 -0.03 0.00 0.38 0.00 0.00 41.96 38.94 1n50 s TYR 463 CO 0.41 -3.01 -0.02 -0.65 -1.52 0.00 0.00 175.55 170.75 1n50 s GLN 464 N -4.74 2.81 -0.27 -3.49 -0.21 -0.29 -4.87 119.66 108.59 1n50 s GLN 464 Ca 0.66 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 55.38 1n50 s GLN 464 Cb -0.21 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 1n50 s GLN 464 CO 0.60 0.66 0.18 0.08 -2.12 0.00 0.00 175.29 174.69 1n50 s VAL 465 N -0.95 5.31 -0.31 1.09 1.01 -1.26 -1.27 120.40 124.02 1n50 s VAL 465 Ca 0.16 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1n50 s VAL 465 Cb -0.11 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1n50 s VAL 465 CO 0.05 0.27 0.26 -0.76 0.00 0.00 0.00 175.10 174.92 1n50 s LEU 466 N 1.63 4.25 -1.29 3.92 1.02 -0.59 -4.97 118.68 122.65 1n50 s LEU 466 Ca 0.07 -0.14 -0.18 0.00 0.02 0.00 0.00 54.13 53.89 1n50 s LEU 466 Cb -0.16 -2.20 0.04 0.00 0.02 0.00 0.00 46.19 43.90 1n50 s LEU 466 CO 0.10 -0.17 1.80 -0.81 0.02 0.00 0.00 176.35 177.28 1n50 n PRO 467 N 5.16 2.94 0.20 1.29 -0.04 -1.26 -1.89 135.00 141.39 1n50 n PRO 467 Ca -0.12 -3.11 -0.15 0.00 -0.04 0.00 0.00 63.50 60.08 1n50 n PRO 467 Cb 0.51 -3.52 -0.08 0.00 -0.04 0.00 0.00 33.50 30.37 1n50 n PRO 467 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1n50 h ILE 468 N 5.55 0.66 0.00 0.52 1.08 -1.91 -2.18 117.51 121.24 1n50 h ILE 468 Ca 0.42 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 64.56 1n50 h ILE 468 Cb 0.86 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1n50 h ILE 468 CO 1.46 0.06 -0.28 0.00 -0.69 0.00 0.00 178.15 178.69 1n50 h ALA 469 N -0.03 1.35 -0.33 1.87 0.00 -1.68 -2.48 119.26 117.95 1n50 h ALA 469 Ca -0.05 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1n50 h ALA 469 Cb 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1n50 h ALA 469 CO 0.08 0.35 -0.49 1.49 0.00 0.00 0.00 179.25 180.69 1n50 h GLU 470 N 0.00 0.90 -0.20 0.00 4.81 -1.80 -2.86 114.58 115.44 1n50 h GLU 470 Ca -0.00 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1n50 h GLU 470 Cb 0.56 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1n50 h GLU 470 CO 0.04 1.18 0.04 -1.49 -0.73 0.00 0.00 179.01 178.04 1n50 h TRP 471 N 0.71 0.27 -0.12 0.92 6.55 -0.95 -2.23 115.95 121.10 1n50 h TRP 471 Ca 0.03 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.83 1n50 h TRP 471 Cb 1.09 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 29.29 1n50 h TRP 471 CO 0.07 0.26 -0.11 0.00 -1.05 0.00 0.00 178.44 177.61 1n50 h ALA 472 N 1.77 1.60 -5.53 1.49 0.00 -1.23 -3.48 119.26 113.89 1n50 h ALA 472 Ca 0.07 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1n50 h ALA 472 Cb 0.13 -0.07 0.14 0.00 0.00 0.00 0.00 17.79 17.98 1n50 h ALA 472 CO -0.00 0.29 -0.66 -3.47 0.00 0.00 0.00 179.25 175.41 1n50 n ASP 473 N -4.32 -6.78 -0.09 0.00 2.03 -0.84 -4.98 116.55 101.57 1n50 n ASP 473 Ca -0.01 -0.59 -0.10 0.00 0.52 0.00 0.00 54.79 54.61 1n50 n ASP 473 Cb 0.24 -4.99 -0.12 0.00 -0.72 0.00 0.00 41.12 35.53 1n50 n ASP 473 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1n50 n LEU 474 N -2.96 0.93 0.00 -2.67 4.77 -1.26 -5.12 117.00 110.69 1n50 n LEU 474 Ca -0.06 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1n50 n LEU 474 Cb 0.59 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1n50 n LEU 474 CO 0.58 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1n50 n GLY 475 N 2.13 0.50 3.78 -0.72 0.00 -1.26 -4.80 105.19 104.81 1n50 n GLY 475 Ca -0.31 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1n50 n GLY 475 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n50 s GLU 476 N 0.00 2.15 0.00 1.61 -1.05 -1.26 -4.97 118.70 115.18 1n50 s GLU 476 Ca 0.00 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 1n50 s GLU 476 Cb 0.00 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.79 1n50 s GLU 476 CO 0.00 -1.65 0.00 0.41 0.95 0.00 0.00 175.26 174.97 1n50 n GLY 477 N -1.56 3.17 0.30 -3.83 0.00 -1.26 -4.71 105.19 97.30 1n50 n GLY 477 Ca 0.08 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.31 1n50 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 h ALA 478 N 0.00 2.03 -6.60 4.61 0.00 -1.93 -3.47 119.26 113.91 1n50 h ALA 478 Ca 0.00 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 1n50 h ALA 478 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1n50 h ALA 478 CO 0.00 -0.08 -0.93 1.63 0.00 0.00 0.00 179.25 179.87 1n50 n LYS 479 N -4.49 -1.95 -2.44 0.00 5.02 -1.26 -4.82 118.16 108.20 1n50 n LYS 479 Ca 0.02 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.20 1n50 n LYS 479 Cb 0.20 -3.97 -0.03 0.00 -0.02 0.00 0.00 35.03 31.21 1n50 n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n50 s ARG 480 N -6.70 4.44 0.02 1.97 0.52 -1.16 -4.47 118.95 113.58 1n50 s ARG 480 Ca 0.19 1.75 -0.16 0.00 -0.52 0.00 0.00 55.73 56.98 1n50 s ARG 480 Cb -0.08 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 1n50 s ARG 480 CO 0.91 -0.24 0.47 0.08 0.02 0.00 0.00 175.30 176.54 1n50 s VAL 481 N 1.02 4.93 -0.08 3.52 1.01 -0.94 -0.39 120.40 129.48 1n50 s VAL 481 Ca 0.58 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 1n50 s VAL 481 Cb -0.29 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1n50 s VAL 481 CO 0.29 0.56 0.40 0.54 0.00 0.00 0.00 175.10 176.89 1n50 s VAL 482 N -1.03 0.03 -0.05 2.92 0.11 -0.70 -3.73 120.40 117.93 1n50 s VAL 482 Ca 0.26 -0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1n50 s VAL 482 Cb -0.18 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1n50 s VAL 482 CO 0.15 -0.12 0.08 1.67 -3.33 0.00 0.00 175.10 173.56 1n50 n GLN 483 N 1.95 -2.64 -2.55 1.54 7.27 -1.26 -2.52 117.38 119.16 1n50 n GLN 483 Ca -0.18 2.07 -0.41 0.00 0.07 0.00 0.00 57.00 58.56 1n50 n GLN 483 Cb 0.57 -2.61 -0.04 0.00 2.41 0.00 0.00 30.24 30.56 1n50 n GLN 483 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1n50 s PRO 484 N -0.29 4.66 -0.09 3.69 0.02 -1.26 -4.42 135.00 137.32 1n50 s PRO 484 Ca -0.09 1.69 -0.04 0.00 0.02 0.00 0.00 61.00 62.59 1n50 s PRO 484 Cb 0.01 -3.25 0.05 0.00 0.02 0.00 0.00 34.50 31.32 1n50 s PRO 484 CO 0.25 0.21 0.17 -2.00 -0.33 0.00 0.00 177.00 175.30 1n50 s GLU 485 N -0.87 0.06 0.80 5.54 2.56 -0.07 -4.86 118.70 121.85 1n50 s GLU 485 Ca 0.46 0.56 -0.12 0.00 0.00 0.00 0.00 54.97 55.88 1n50 s GLU 485 Cb -0.29 -0.23 0.07 0.00 2.00 0.00 0.00 34.13 35.68 1n50 s GLU 485 CO 0.36 -0.28 1.11 0.71 -0.56 0.00 0.00 175.26 176.60 1n50 s TYR 486 N 2.14 2.89 0.43 5.30 1.51 -1.26 0.07 117.35 128.43 1n50 s TYR 486 Ca 0.01 1.04 0.03 0.00 -1.01 0.00 0.00 57.07 57.15 1n50 s TYR 486 Cb -0.12 -3.19 0.08 0.00 -0.11 0.00 0.00 41.96 38.62 1n50 s TYR 486 CO -0.06 -1.75 0.60 0.27 -1.11 0.00 0.00 175.55 173.49 1n50 n ASN 487 N -3.39 1.18 -0.23 2.29 6.94 -1.00 -4.70 115.26 116.34 1n50 n ASN 487 Ca 0.07 -1.91 0.03 0.00 -0.02 0.00 0.00 54.58 52.76 1n50 n ASN 487 Cb 0.57 -0.35 0.15 0.00 -2.36 0.00 0.00 39.78 37.79 1n50 n ASN 487 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1n50 h LYS 488 N 0.00 0.30 -0.34 -3.83 3.64 -1.87 -1.15 116.57 113.31 1n50 h LYS 488 Ca -0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1n50 h LYS 488 Cb 0.83 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1n50 h LYS 488 CO 0.25 0.20 0.00 2.89 -2.27 0.00 0.00 179.45 180.52 1n50 n ARG 489 N -5.11 2.19 -3.07 1.90 1.85 -1.26 -4.95 116.66 108.21 1n50 n ARG 489 Ca 0.12 -1.81 -0.22 0.00 -1.00 0.00 0.00 57.85 54.94 1n50 n ARG 489 Cb 0.39 -1.45 0.02 0.00 -1.05 0.00 0.00 32.46 30.36 1n50 n ARG 489 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n50 n GLY 490 N 1.35 -0.51 0.59 2.89 0.00 -0.44 -4.86 105.19 104.21 1n50 n GLY 490 Ca 0.18 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1n50 n GLY 490 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n50 n ASP 491 N -2.37 2.24 -3.79 1.61 5.68 -1.26 -4.59 116.55 114.07 1n50 n ASP 491 Ca -0.09 -1.62 -0.13 0.00 -0.50 0.00 0.00 54.79 52.46 1n50 n ASP 491 Cb 0.59 -0.01 -0.12 0.00 -1.14 0.00 0.00 41.12 40.45 1n50 n ASP 491 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1n50 s GLU 492 N -1.19 0.27 -0.11 0.11 -1.05 -1.26 -0.96 118.70 114.50 1n50 s GLU 492 Ca 0.17 0.34 0.01 0.00 -0.15 0.00 0.00 54.97 55.34 1n50 s GLU 492 Cb 0.12 0.12 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1n50 s GLU 492 CO 0.18 -0.04 -0.16 0.08 0.95 0.00 0.00 175.26 176.27 1n50 s VAL 493 N 0.18 2.81 0.08 1.83 1.01 -0.49 -2.37 120.40 123.45 1n50 s VAL 493 Ca -0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1n50 s VAL 493 Cb -0.02 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1n50 s VAL 493 CO -0.00 0.54 0.19 0.26 0.00 0.00 0.00 175.10 176.09 1n50 s TRP 494 N 0.18 3.44 0.07 5.22 0.52 0.11 -1.48 118.94 127.00 1n50 s TRP 494 Ca -0.09 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1n50 s TRP 494 Cb -0.16 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1n50 s TRP 494 CO 0.06 0.57 -0.05 -0.06 0.02 0.00 0.00 176.95 177.48 1n50 s PHE 495 N -1.51 0.69 -0.16 -1.98 0.40 -0.42 -0.89 117.98 114.10 1n50 s PHE 495 Ca 0.34 -0.87 -0.03 0.00 -0.60 0.00 0.00 56.93 55.77 1n50 s PHE 495 Cb -0.13 -0.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 1n50 s PHE 495 CO 0.27 -0.22 -0.06 -1.12 0.70 0.00 0.00 175.22 174.79 1n50 s SER 496 N -2.66 4.46 -0.91 1.36 0.01 -1.05 -1.85 113.70 113.06 1n50 s SER 496 Ca 0.05 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 1n50 s SER 496 Cb 0.03 -1.73 0.23 0.00 0.21 0.00 0.00 66.02 64.76 1n50 s SER 496 CO -0.05 0.12 0.85 -0.69 0.41 0.00 0.00 173.24 173.88 1n50 s VAL 497 N 0.64 5.38 -1.06 3.43 1.01 0.45 -1.73 120.40 128.52 1n50 s VAL 497 Ca -0.04 -3.03 -0.23 0.00 0.00 0.00 0.00 61.98 58.68 1n50 s VAL 497 Cb -0.15 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 1n50 s VAL 497 CO 0.02 -1.07 1.91 0.86 0.00 0.00 0.00 175.10 176.83 1n50 s TRP 498 N -0.54 1.95 0.41 5.22 -0.00 0.48 -3.29 118.94 123.17 1n50 s TRP 498 Ca 0.23 0.40 0.07 0.00 -0.00 0.00 0.00 56.10 56.81 1n50 s TRP 498 Cb -0.11 -4.08 0.01 0.00 -0.00 0.00 0.00 33.47 29.29 1n50 s TRP 498 CO -0.08 -1.49 0.56 1.21 -0.00 0.00 0.00 176.95 177.15 1n50 s ASN 499 N 7.01 5.71 1.08 5.86 2.47 -1.26 -2.97 114.94 132.84 1n50 s ASN 499 Ca 0.68 -0.33 -0.15 0.00 0.42 0.00 0.00 52.86 53.48 1n50 s ASN 499 Cb -0.03 -0.82 0.13 0.00 -1.45 0.00 0.00 41.25 39.08 1n50 s ASN 499 CO 0.06 -0.71 0.39 0.61 -3.72 0.00 0.00 177.10 173.73 1n50 n GLY 500 N -1.84 -2.13 0.32 1.21 0.00 -1.26 -4.27 105.19 97.21 1n50 n GLY 500 Ca 0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 1n50 n GLY 500 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n50 h LYS 501 N -2.07 0.90 -0.02 1.61 3.64 -1.98 -2.58 116.57 116.06 1n50 h LYS 501 Ca -0.52 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1n50 h LYS 501 Cb 1.33 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1n50 h LYS 501 CO 0.40 0.75 -0.00 0.09 -2.27 0.00 0.00 179.45 178.42 1n50 n ASN 502 N -4.30 2.23 -1.98 4.20 5.03 -1.26 -4.88 115.26 114.29 1n50 n ASN 502 Ca 0.05 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.76 1n50 n ASN 502 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1n50 n ASN 502 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1n50 n ASP 503 N 0.74 0.05 -4.64 6.41 8.00 -0.97 -5.11 116.55 121.03 1n50 n ASP 503 Ca 0.16 -0.99 -0.35 0.00 0.71 0.00 0.00 54.79 54.33 1n50 n ASP 503 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.47 1n50 n ASP 503 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n50 s SER 504 N -1.00 5.10 0.41 -2.24 0.15 -1.26 -4.81 113.70 110.04 1n50 s SER 504 Ca 0.00 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1n50 s SER 504 Cb 0.00 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1n50 s SER 504 CO 0.00 0.35 0.06 -0.44 1.20 0.00 0.00 173.24 174.40 1n50 s SER 505 N -0.70 3.15 0.13 5.45 0.01 -1.26 -4.60 113.70 115.88 1n50 s SER 505 Ca 0.11 -1.52 -0.25 0.00 1.31 0.00 0.00 55.95 55.59 1n50 s SER 505 Cb -0.12 0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.35 1n50 s SER 505 CO 0.02 -0.73 0.90 0.00 0.41 0.00 0.00 173.24 173.85 1n50 s ALA 506 N -3.08 -1.65 -0.16 1.44 0.00 -1.21 -4.66 121.76 112.45 1n50 s ALA 506 Ca 0.26 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1n50 s ALA 506 Cb 0.06 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1n50 s ALA 506 CO 0.13 -0.95 -0.20 -0.51 0.00 0.00 0.00 175.76 174.23 1n50 s LEU 507 N -2.83 2.20 -0.19 0.00 1.43 -0.74 -0.41 118.68 118.15 1n50 s LEU 507 Ca 0.10 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1n50 s LEU 507 Cb -0.02 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1n50 s LEU 507 CO -0.01 0.06 0.04 -0.69 0.23 0.00 0.00 176.35 175.98 1n50 s VAL 508 N 0.96 4.52 -0.14 -1.59 1.01 -0.77 0.25 120.40 124.63 1n50 s VAL 508 Ca -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1n50 s VAL 508 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1n50 s VAL 508 CO -0.05 0.44 0.03 -0.69 0.00 0.00 0.00 175.10 174.84 1n50 s VAL 509 N 0.60 4.55 -0.00 2.92 1.01 0.20 -1.30 120.40 128.39 1n50 s VAL 509 Ca 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1n50 s VAL 509 Cb -0.13 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1n50 s VAL 509 CO 0.02 0.53 -0.26 -0.69 0.00 0.00 0.00 175.10 174.70 1n50 s VAL 510 N -0.23 2.09 -0.41 2.92 1.01 -0.55 -0.60 120.40 124.63 1n50 s VAL 510 Ca 0.07 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 1n50 s VAL 510 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1n50 s VAL 510 CO 0.02 0.52 1.36 -0.62 0.00 0.00 0.00 175.10 176.38 1n50 s ASP 511 N -0.78 6.41 0.34 3.32 -1.08 -0.30 -1.39 116.67 123.20 1n50 s ASP 511 Ca 0.10 0.81 0.05 0.00 -0.52 0.00 0.00 52.55 52.99 1n50 s ASP 511 Cb -0.10 -2.54 0.69 0.00 -1.46 0.00 0.00 42.92 39.51 1n50 s ASP 511 CO -0.00 -1.37 1.93 -0.78 0.52 0.00 0.00 175.17 175.46 1n50 h ASP 512 N 10.34 0.74 0.04 -0.34 3.58 -1.38 0.59 116.42 129.99 1n50 h ASP 512 Ca -0.27 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.06 1n50 h ASP 512 Cb 1.10 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1n50 h ASP 512 CO 1.09 0.46 -0.43 0.50 -2.88 0.00 0.00 179.24 177.97 1n50 h LYS 513 N 0.83 0.48 0.00 0.28 3.11 -1.91 -3.32 116.57 116.03 1n50 h LYS 513 Ca 0.36 -0.25 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1n50 h LYS 513 Cb 0.33 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1n50 h LYS 513 CO -0.14 0.82 -0.45 0.25 -2.81 0.00 0.00 179.45 177.12 1n50 n THR 514 N -4.01 0.00 -1.75 1.00 -2.24 -1.03 -4.99 114.28 101.26 1n50 n THR 514 Ca -0.02 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.29 1n50 n THR 514 Cb 0.52 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 1n50 n THR 514 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n50 n LEU 515 N -1.23 -1.47 -4.92 3.22 4.77 0.20 -4.98 117.00 112.58 1n50 n LEU 515 Ca 0.02 0.33 -0.27 0.00 -0.03 0.00 0.00 56.01 56.06 1n50 n LEU 515 Cb 0.14 -2.61 -0.03 0.00 -2.33 0.00 0.00 43.42 38.59 1n50 n LEU 515 CO 0.18 -0.76 -0.12 -0.54 -1.33 0.00 0.00 177.39 174.82 1n50 s LYS 516 N -3.91 3.38 0.19 3.23 1.02 -1.24 -4.86 119.74 117.54 1n50 s LYS 516 Ca 0.00 -0.60 -0.32 0.00 0.02 0.00 0.00 55.97 55.07 1n50 s LYS 516 Cb 0.00 -2.94 -0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1n50 s LYS 516 CO 0.00 0.53 1.69 -1.17 -0.92 0.00 0.00 175.35 175.48 1n50 s LEU 517 N -3.10 4.37 -0.16 3.17 2.96 -1.26 -1.15 118.68 123.52 1n50 s LEU 517 Ca 0.34 2.78 0.05 0.00 -0.22 0.00 0.00 54.13 57.09 1n50 s LEU 517 Cb -0.11 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.85 1n50 s LEU 517 CO 0.28 -0.93 -0.07 1.17 -1.32 0.00 0.00 176.35 175.47 1n50 n LYS 518 N 4.13 0.98 -3.63 1.98 4.81 0.23 -4.78 118.16 121.88 1n50 n LYS 518 Ca 0.15 0.06 -0.02 0.00 -0.87 0.00 0.00 58.31 57.63 1n50 n LYS 518 Cb 0.36 -1.34 -0.01 0.00 0.02 0.00 0.00 35.03 34.06 1n50 n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n50 s ALA 519 N -2.33 -2.02 -0.04 3.14 0.00 -0.94 -5.00 121.76 114.57 1n50 s ALA 519 Ca -0.16 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1n50 s ALA 519 Cb 0.05 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1n50 s ALA 519 CO 0.45 -0.89 0.02 0.08 0.00 0.00 0.00 175.76 175.42 1n50 s VAL 520 N -2.70 0.12 -0.36 0.00 1.01 -1.26 -0.62 120.40 116.58 1n50 s VAL 520 Ca 0.11 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1n50 s VAL 520 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1n50 s VAL 520 CO -0.03 0.18 0.37 -0.69 0.00 0.00 0.00 175.10 174.92 1n50 s VAL 521 N 1.60 5.16 0.13 2.92 1.01 0.14 -4.94 120.40 126.43 1n50 s VAL 521 Ca -0.02 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1n50 s VAL 521 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1n50 s VAL 521 CO -0.03 -0.17 -0.21 -0.54 0.00 0.00 0.00 175.10 174.15 1n50 s LYS 522 N 2.00 1.24 -0.30 2.72 1.02 -1.26 -1.78 119.74 123.38 1n50 s LYS 522 Ca 0.11 -1.29 -0.22 0.00 0.02 0.00 0.00 55.97 54.59 1n50 s LYS 522 Cb -0.17 -1.50 0.19 0.00 -0.52 0.00 0.00 37.83 35.83 1n50 s LYS 522 CO 0.12 0.34 1.32 0.34 -0.92 0.00 0.00 175.35 176.54 1n50 s ASP 523 N -2.21 -0.13 0.65 2.83 -1.08 -1.26 -5.00 116.67 110.48 1n50 s ASP 523 Ca 0.11 0.23 0.44 0.00 -0.52 0.00 0.00 52.55 52.81 1n50 s ASP 523 Cb -0.09 0.53 2.36 0.00 -1.46 0.00 0.00 42.92 44.26 1n50 s ASP 523 CO 0.06 -0.04 2.34 1.55 0.52 0.00 0.00 175.17 179.60 1n50 h PRO 524 N 4.03 0.00 0.00 4.34 0.13 -2.00 0.75 132.00 139.25 1n50 h PRO 524 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1n50 h PRO 524 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1n50 h PRO 524 CO 0.19 0.00 -0.46 0.00 -0.23 0.00 0.00 178.00 177.50 1n50 h ARG 525 N 0.00 0.00 -4.32 0.86 3.08 -2.01 -3.41 114.38 108.58 1n50 h ARG 525 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1n50 h ARG 525 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1n50 h ARG 525 CO 0.00 0.00 2.68 -0.11 -1.07 0.00 0.00 179.97 181.47 1n50 n LEU 526 N -2.63 5.47 -4.75 3.04 7.94 0.25 -4.92 117.00 121.40 1n50 n LEU 526 Ca 0.03 -3.56 -0.38 0.00 -1.11 0.00 0.00 56.01 50.99 1n50 n LEU 526 Cb 0.50 -1.43 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1n50 n LEU 526 CO 0.36 0.34 0.17 -0.63 -1.11 0.00 0.00 177.39 176.52 1n50 s ILE 527 N 4.26 5.12 -1.01 1.96 1.01 -1.26 -4.41 121.20 126.87 1n50 s ILE 527 Ca 0.52 0.96 -0.26 0.00 0.00 0.00 0.00 60.65 61.87 1n50 s ILE 527 Cb 0.13 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1n50 s ILE 527 CO 0.01 0.38 0.58 0.35 0.00 0.00 0.00 174.94 176.27 1n50 n THR 528 N 3.22 -2.35 -2.19 2.92 -2.24 -1.26 -3.71 114.28 108.67 1n50 n THR 528 Ca -0.08 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1n50 n THR 528 Cb 0.52 -2.02 -0.03 0.00 -2.10 0.00 0.00 70.33 66.70 1n50 n THR 528 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n50 s PRO 529 N -6.79 4.35 0.00 -0.78 0.04 -1.25 -2.13 135.00 128.43 1n50 s PRO 529 Ca 0.37 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1n50 s PRO 529 Cb -0.21 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1n50 s PRO 529 CO 0.84 -0.35 0.00 0.25 0.04 0.00 0.00 177.00 177.79 1n50 n THR 530 N 3.23 0.00 -2.16 1.26 -2.24 -0.86 -3.99 114.28 109.52 1n50 n THR 530 Ca 0.09 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 1n50 n THR 530 Cb 0.42 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1n50 n THR 530 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n50 s GLY 531 N -0.13 2.85 -0.06 3.38 0.00 -1.26 -4.75 107.32 107.35 1n50 s GLY 531 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1n50 s GLY 531 CO 0.00 1.58 -0.04 0.54 0.00 0.00 0.00 173.10 175.18 1n50 s LYS 532 N -2.50 0.84 -0.18 2.90 1.02 -1.26 -1.71 119.74 118.85 1n50 s LYS 532 Ca 0.61 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 1n50 s LYS 532 Cb -0.33 -0.94 0.05 0.00 -0.52 0.00 0.00 37.83 36.09 1n50 s LYS 532 CO 0.41 -0.15 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.60 1n50 s PHE 533 N 1.26 1.62 -0.12 3.18 0.08 0.09 -4.90 117.98 119.19 1n50 s PHE 533 Ca -0.06 -1.12 -0.30 0.00 0.12 0.00 0.00 56.93 55.58 1n50 s PHE 533 Cb -0.14 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 1n50 s PHE 533 CO -0.02 -0.63 1.22 1.21 -0.10 0.00 0.00 175.22 176.90 1n50 s ASN 534 N 1.66 7.00 0.20 1.36 3.84 -1.26 -0.65 114.94 127.08 1n50 s ASN 534 Ca -0.01 1.73 -0.20 0.00 0.21 0.00 0.00 52.86 54.60 1n50 s ASN 534 Cb -0.16 -2.55 0.15 0.00 -0.55 0.00 0.00 41.25 38.14 1n50 s ASN 534 CO -0.07 -0.68 1.58 0.58 -2.79 0.00 0.00 177.10 175.73 1n50 h VAL 535 N 5.27 0.16 0.08 -5.21 2.07 -1.37 0.15 116.25 117.39 1n50 h VAL 535 Ca -0.30 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1n50 h VAL 535 Cb 1.13 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1n50 h VAL 535 CO 0.93 0.00 -0.04 0.22 0.02 0.00 0.00 177.57 178.70 1n50 h TYR 536 N -0.13 -0.10 -0.42 1.57 3.20 -1.50 0.91 116.97 120.51 1n50 h TYR 536 Ca 0.26 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 1n50 h TYR 536 Cb 0.56 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1n50 h TYR 536 CO -0.66 0.03 0.00 -0.91 -1.64 0.00 0.00 178.16 174.98 1n50 h ASN 537 N -0.20 0.64 0.08 -2.11 2.35 -1.73 -0.26 115.58 114.35 1n50 h ASN 537 Ca -0.01 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1n50 h ASN 537 Cb 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1n50 h ASN 537 CO 0.02 0.71 -0.04 0.74 -1.65 0.00 0.00 177.43 177.21 1n50 h THR 538 N 0.64 1.20 -0.91 2.81 2.02 -0.49 -0.73 112.91 117.45 1n50 h THR 538 Ca 0.13 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.18 1n50 h THR 538 Cb 0.40 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 1n50 h THR 538 CO 0.01 0.28 0.60 -0.61 0.37 0.00 0.00 175.52 176.17 1n50 h GLN 539 N -0.65 1.10 -0.53 6.66 4.15 -0.66 -2.83 115.11 122.34 1n50 h GLN 539 Ca -0.01 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1n50 h GLN 539 Cb 0.54 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1n50 h GLN 539 CO 0.02 0.73 0.00 0.72 -1.93 0.00 0.00 178.83 178.36 1n50 n HIS 540 N -4.45 1.57 -4.11 3.99 8.25 -0.12 -4.97 115.22 115.38 1n50 n HIS 540 Ca 0.12 -0.70 -0.34 0.00 -0.26 0.00 0.00 57.72 56.54 1n50 n HIS 540 Cb 0.11 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 1n50 n HIS 540 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1n50 n ASP 541 N 0.59 -1.22 -4.42 0.41 9.92 -0.79 -4.90 116.55 116.15 1n50 n ASP 541 Ca 0.25 -1.19 -0.44 0.00 -0.53 0.00 0.00 54.79 52.88 1n50 n ASP 541 Cb 0.99 -2.14 -0.05 0.00 -0.64 0.00 0.00 41.12 39.29 1n50 n ASP 541 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1n50 s VAL 542 N -3.98 4.69 0.00 2.53 1.01 -0.35 -5.02 120.40 119.29 1n50 s VAL 542 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1n50 s VAL 542 Cb -0.08 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1n50 s VAL 542 CO 0.95 -1.13 0.00 0.00 0.00 0.00 0.00 175.10 174.92