#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p31 s PRO 13 N 0.00 3.47 0.00 0.38 0.04 -1.26 -5.20 135.00 132.43 1p31 s PRO 13 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1p31 s PRO 13 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1p31 s PRO 13 CO 0.00 -0.67 0.00 -1.91 0.04 0.00 0.00 177.00 174.46 1p31 n GLU 14 N -2.23 0.00 -4.14 4.56 2.13 -1.26 -5.14 120.64 114.56 1p31 n GLU 14 Ca 0.07 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.55 1p31 n GLU 14 Cb 0.53 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.10 1p31 n GLU 14 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1p31 s ARG 16 N 0.00 3.32 0.00 5.31 3.52 -1.26 -5.04 118.95 124.80 1p31 s ARG 16 Ca 0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1p31 s ARG 16 Cb 0.00 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 1p31 s ARG 16 CO 0.00 -0.10 0.00 0.54 -0.81 0.00 0.00 175.30 174.93 1p31 n ARG 17 N 4.46 -1.14 -2.92 5.12 1.74 -1.26 -4.95 116.66 117.72 1p31 n ARG 17 Ca -0.19 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 1p31 n ARG 17 Cb 0.51 -4.27 -0.05 0.00 -1.02 0.00 0.00 32.46 27.63 1p31 n ARG 17 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p31 s VAL 18 N -1.43 4.59 -0.22 1.55 1.01 -1.26 -4.86 120.40 119.78 1p31 s VAL 18 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 1p31 s VAL 18 Cb 0.00 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1p31 s VAL 18 CO 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 175.10 174.07 1p31 n GLN 19 N 6.87 0.47 -4.52 2.72 6.02 -1.26 -4.97 117.38 122.70 1p31 n GLN 19 Ca 0.03 0.19 -0.23 0.00 -0.01 0.00 0.00 57.00 56.99 1p31 n GLN 19 Cb 0.48 -1.29 -0.16 0.00 1.02 0.00 0.00 30.24 30.29 1p31 n GLN 19 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1p31 s GLN 20 N -2.40 1.43 -0.17 -1.09 0.74 -1.26 -1.76 119.66 115.14 1p31 s GLN 20 Ca -0.30 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 1p31 s GLN 20 Cb 0.11 -1.23 -0.01 0.00 1.10 0.00 0.00 33.01 32.98 1p31 s GLN 20 CO 0.39 0.06 -0.09 0.42 -0.55 0.00 0.00 175.29 175.53 1p31 s ILE 21 N 0.49 3.21 -0.14 -2.34 1.01 0.03 -0.25 121.20 123.21 1p31 s ILE 21 Ca -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1p31 s ILE 21 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1p31 s ILE 21 CO 0.02 0.48 0.00 -2.28 0.00 0.00 0.00 174.94 173.17 1p31 s HIS 22 N 0.84 3.14 -0.20 3.97 2.46 -0.38 -1.42 115.29 123.71 1p31 s HIS 22 Ca -0.03 -0.04 -0.03 0.00 0.47 0.00 0.00 55.06 55.43 1p31 s HIS 22 Cb -0.15 -1.95 -0.01 0.00 -0.13 0.00 0.00 32.58 30.35 1p31 s HIS 22 CO 0.01 0.17 -0.06 -0.06 -2.47 0.00 0.00 174.74 172.33 1p31 s PHE 23 N -0.01 2.93 -0.40 3.88 0.08 -0.34 0.53 117.98 124.65 1p31 s PHE 23 Ca 0.03 -0.86 -0.19 0.00 0.12 0.00 0.00 56.93 56.04 1p31 s PHE 23 Cb -0.13 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1p31 s PHE 23 CO 0.02 -0.45 0.53 0.42 -0.10 0.00 0.00 175.22 175.64 1p31 s ILE 24 N 1.17 4.97 0.00 0.64 1.01 -0.02 -1.02 121.20 127.96 1p31 s ILE 24 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1p31 s ILE 24 Cb -0.14 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1p31 s ILE 24 CO -0.02 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.11 1p31 n GLY 25 N 4.99 0.90 0.30 6.18 0.00 0.65 -2.37 105.19 115.84 1p31 n GLY 25 Ca -0.04 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 45.92 1p31 n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1p31 h ILE 26 N 0.00 0.21 0.00 -0.61 2.10 -1.34 -1.84 117.51 116.02 1p31 h ILE 26 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1p31 h ILE 26 Cb 0.35 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1p31 h ILE 26 CO 0.00 0.04 0.00 0.61 -1.08 0.00 0.00 178.15 177.72 1p31 n GLY 27 N -0.66 -1.13 3.71 8.18 0.00 -1.26 -2.96 105.19 111.07 1p31 n GLY 27 Ca -0.02 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1p31 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p31 n GLY 28 N 0.97 0.41 0.25 -0.02 0.00 -0.70 -4.76 105.19 101.35 1p31 n GLY 28 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1p31 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p31 h ALA 29 N 0.81 0.89 -0.25 4.61 0.00 -1.90 0.10 119.26 123.53 1p31 h ALA 29 Ca -0.50 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1p31 h ALA 29 Cb 1.33 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1p31 h ALA 29 CO 0.54 -0.13 0.17 0.41 0.00 0.00 0.00 179.25 180.25 1p31 n GLY 30 N -1.30 2.75 0.39 0.00 0.00 -1.26 -3.75 105.19 102.01 1p31 n GLY 30 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1p31 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p31 n SER 32 N 0.23 0.00 -0.13 1.61 3.41 0.35 -2.58 113.62 116.51 1p31 n SER 32 Ca 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1p31 n SER 32 Cb 0.75 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.69 1p31 n SER 32 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1p31 h GLY 33 N 0.00 0.66 0.99 5.00 0.00 -1.79 -1.03 103.07 106.91 1p31 h GLY 33 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1p31 h GLY 33 CO 0.00 0.37 0.16 -2.22 0.00 0.00 0.00 176.54 174.85 1p31 h ILE 34 N 0.49 1.24 -0.83 2.60 2.04 -1.83 -1.66 117.51 119.56 1p31 h ILE 34 Ca 0.13 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1p31 h ILE 34 Cb 0.27 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1p31 h ILE 34 CO -0.00 0.31 0.55 0.00 0.00 0.00 0.00 178.15 179.00 1p31 h ALA 35 N 1.03 1.05 -0.60 1.87 0.00 -1.81 -1.75 119.26 119.05 1p31 h ALA 35 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1p31 h ALA 35 Cb 0.30 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1p31 h ALA 35 CO -0.00 0.45 0.18 1.49 0.00 0.00 0.00 179.25 181.36 1p31 h GLU 36 N 1.12 0.95 0.04 0.00 4.22 -0.88 0.88 114.58 120.91 1p31 h GLU 36 Ca 0.30 -0.21 0.01 0.00 0.08 0.00 0.00 59.36 59.55 1p31 h GLU 36 Cb -0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1p31 h GLU 36 CO -0.07 0.85 -0.12 0.82 -2.18 0.00 0.00 179.01 178.32 1p31 h ILE 37 N 0.87 0.72 -0.26 2.32 1.08 -0.95 -1.43 117.51 119.85 1p31 h ILE 37 Ca 0.19 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.52 1p31 h ILE 37 Cb 0.31 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 1p31 h ILE 37 CO -0.00 0.00 -0.44 -0.07 -0.69 0.00 0.00 178.15 176.94 1p31 h LEU 38 N -0.22 0.70 -0.48 1.44 3.38 -1.13 -0.63 115.31 118.36 1p31 h LEU 38 Ca 0.03 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1p31 h LEU 38 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1p31 h LEU 38 CO -0.09 1.04 0.24 0.25 0.09 0.00 0.00 178.44 179.97 1p31 h LEU 39 N 0.53 0.34 -1.08 1.67 5.85 -0.74 -2.09 115.31 119.79 1p31 h LEU 39 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1p31 h LEU 39 Cb 0.98 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1p31 h LEU 39 CO 0.09 0.24 0.00 0.78 -0.34 0.00 0.00 178.44 179.21 1p31 h ASN 40 N 0.47 0.00 1.54 1.25 2.35 -0.72 -1.85 115.58 118.61 1p31 h ASN 40 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1p31 h ASN 40 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1p31 h ASN 40 CO -0.15 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 175.30 1p31 h GLU 41 N 0.00 0.00 0.00 0.81 5.08 -0.64 -3.47 114.58 116.36 1p31 h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p31 h GLU 41 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1p31 h GLU 41 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1p31 n GLY 42 N 1.07 1.04 3.80 -3.84 0.00 -0.70 -5.09 105.19 101.47 1p31 n GLY 42 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1p31 n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p31 s TYR 43 N -2.00 3.07 0.13 1.61 2.02 -0.83 -5.02 117.35 116.33 1p31 s TYR 43 Ca 0.00 1.59 -0.30 0.00 -0.37 0.00 0.00 57.07 57.99 1p31 s TYR 43 Cb 0.00 -3.06 -0.06 0.00 -0.40 0.00 0.00 41.96 38.44 1p31 s TYR 43 CO 0.00 -0.73 1.08 -0.65 -1.57 0.00 0.00 175.55 173.68 1p31 s GLN 44 N -3.10 4.58 -0.09 -0.62 -1.52 -0.72 -4.38 119.66 113.80 1p31 s GLN 44 Ca 0.65 1.65 0.04 0.00 -1.95 0.00 0.00 55.36 55.75 1p31 s GLN 44 Cb -0.17 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 1p31 s GLN 44 CO 0.21 0.03 -0.21 0.42 -0.25 0.00 0.00 175.29 175.48 1p31 s ILE 45 N 0.16 1.80 0.22 1.08 -1.09 -1.26 -0.79 121.20 121.32 1p31 s ILE 45 Ca 0.51 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 1p31 s ILE 45 Cb -0.28 -1.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.98 1p31 s ILE 45 CO 0.32 0.50 -0.10 -0.94 -1.23 0.00 0.00 174.94 173.50 1p31 s SER 46 N 0.38 2.44 -0.08 3.58 1.04 -0.51 -0.55 113.70 120.01 1p31 s SER 46 Ca -0.17 -1.09 -0.31 0.00 0.48 0.00 0.00 55.95 54.86 1p31 s SER 46 Cb -0.17 -0.11 0.12 0.00 0.10 0.00 0.00 66.02 65.96 1p31 s SER 46 CO 0.07 -0.28 1.01 -0.83 0.98 0.00 0.00 173.24 174.19 1p31 s GLY 47 N -3.33 -0.39 0.18 7.32 0.00 -0.02 -1.20 107.32 109.89 1p31 s GLY 47 Ca 0.24 1.29 0.08 0.00 0.00 0.00 0.00 44.72 46.33 1p31 s GLY 47 CO 0.08 0.45 -0.16 -1.35 0.00 0.00 0.00 173.10 172.12 1p31 s SER 48 N -2.29 2.57 0.03 1.64 1.04 -0.19 -0.75 113.70 115.75 1p31 s SER 48 Ca 0.06 -0.94 -0.24 0.00 0.48 0.00 0.00 55.95 55.31 1p31 s SER 48 Cb -0.01 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.03 1p31 s SER 48 CO -0.07 -0.12 0.56 -0.62 0.98 0.00 0.00 173.24 173.97 1p31 s ASP 49 N -3.01 -0.49 0.00 7.02 2.15 -0.69 -0.25 116.67 121.40 1p31 s ASP 49 Ca 0.19 0.28 0.29 0.00 0.43 0.00 0.00 52.55 53.74 1p31 s ASP 49 Cb -0.03 0.51 1.25 0.00 -0.30 0.00 0.00 42.92 44.34 1p31 s ASP 49 CO 0.06 -0.71 1.93 2.30 -0.17 0.00 0.00 175.17 178.59 1p31 n ILE 50 N 0.49 0.03 -4.22 4.11 -5.35 -1.26 -0.47 119.36 112.69 1p31 n ILE 50 Ca -0.18 0.01 -0.17 0.00 -0.27 0.00 0.00 62.75 62.14 1p31 n ILE 50 Cb 0.60 -0.51 -0.14 0.00 -1.74 0.00 0.00 39.64 37.84 1p31 n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p31 s ALA 51 N -2.97 0.54 -0.25 -1.28 0.00 -1.26 -4.68 121.76 111.87 1p31 s ALA 51 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1p31 s ALA 51 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1p31 s ALA 51 CO 0.52 0.12 0.06 0.34 0.00 0.00 0.00 175.76 176.80 1p31 s ASP 52 N -0.24 5.08 0.00 0.00 2.15 -1.26 -4.89 116.67 117.51 1p31 s ASP 52 Ca 0.02 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1p31 s ASP 52 Cb -0.03 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1p31 s ASP 52 CO -0.00 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 1p31 n GLY 53 N 4.92 4.24 0.30 2.66 0.00 -1.26 -5.01 105.19 111.04 1p31 n GLY 53 Ca -0.16 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 44.49 1p31 n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1p31 h VAL 54 N 0.59 0.50 0.13 1.61 2.07 -1.98 -0.36 116.25 118.82 1p31 h VAL 54 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1p31 h VAL 54 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1p31 h VAL 54 CO 0.00 0.07 -0.06 0.58 0.02 0.00 0.00 177.57 178.18 1p31 h VAL 55 N 0.39 1.00 -0.43 2.57 2.07 -1.96 -1.28 116.25 118.61 1p31 h VAL 55 Ca 0.52 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1p31 h VAL 55 Cb 0.95 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1p31 h VAL 55 CO -0.51 0.13 -0.06 0.71 0.02 0.00 0.00 177.57 177.86 1p31 h THR 56 N -0.44 1.24 -0.41 2.57 1.35 -1.81 -1.82 112.91 113.60 1p31 h THR 56 Ca -0.02 -1.05 -0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1p31 h THR 56 Cb 0.35 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 1p31 h THR 56 CO 0.03 0.36 0.13 1.56 -0.25 0.00 0.00 175.52 177.35 1p31 h GLN 57 N 0.68 0.63 -0.20 4.72 4.20 -1.02 0.24 115.11 124.36 1p31 h GLN 57 Ca 0.13 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1p31 h GLN 57 Cb 0.50 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1p31 h GLN 57 CO 0.03 0.62 0.06 -0.09 -0.67 0.00 0.00 178.83 178.78 1p31 h ARG 58 N 0.51 0.15 -0.56 1.46 2.43 -1.08 -0.23 114.38 117.07 1p31 h ARG 58 Ca 0.13 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1p31 h ARG 58 Cb 0.25 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1p31 h ARG 58 CO -0.00 0.10 0.30 -0.07 -1.51 0.00 0.00 179.97 178.78 1p31 h LEU 59 N 0.15 0.71 -0.72 3.80 3.38 -1.11 -1.49 115.31 120.03 1p31 h LEU 59 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1p31 h LEU 59 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1p31 h LEU 59 CO -0.09 0.61 0.38 0.00 0.09 0.00 0.00 178.44 179.43 1p31 h ALA 60 N 1.13 0.92 -0.52 1.53 0.00 -0.79 -0.24 119.26 121.29 1p31 h ALA 60 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1p31 h ALA 60 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1p31 h ALA 60 CO -0.03 0.45 0.14 0.37 0.00 0.00 0.00 179.25 180.17 1p31 h GLN 61 N 0.99 0.79 0.00 0.00 4.15 -0.63 -2.05 115.11 118.35 1p31 h GLN 61 Ca 0.25 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1p31 h GLN 61 Cb 0.06 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1p31 h GLN 61 CO -0.04 0.70 -0.19 0.00 -1.93 0.00 0.00 178.83 177.38 1p31 h ALA 62 N 1.39 1.08 0.00 3.38 0.00 -0.94 -3.46 119.26 120.70 1p31 h ALA 62 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p31 h ALA 62 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1p31 h ALA 62 CO -0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1p31 n GLY 63 N -0.06 0.65 3.77 0.00 0.00 -0.77 -5.09 105.19 103.69 1p31 n GLY 63 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1p31 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p31 s ALA 64 N -1.44 3.00 -0.46 4.61 0.00 -0.17 -4.74 121.76 122.56 1p31 s ALA 64 Ca 0.00 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 1p31 s ALA 64 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1p31 s ALA 64 CO 0.00 -0.61 0.52 0.15 0.00 0.00 0.00 175.76 175.82 1p31 s LYS 65 N -2.65 3.10 -0.12 0.00 3.01 0.29 -4.14 119.74 119.24 1p31 s LYS 65 Ca 0.62 -0.86 -0.02 0.00 -1.01 0.00 0.00 55.97 54.70 1p31 s LYS 65 Cb -0.28 -4.04 -0.03 0.00 -1.01 0.00 0.00 37.83 32.47 1p31 s LYS 65 CO 0.34 -1.03 -0.03 0.42 0.51 0.00 0.00 175.35 175.57 1p31 s ILE 66 N 2.30 3.99 -0.04 2.17 -1.09 -1.26 -0.84 121.20 126.44 1p31 s ILE 66 Ca 0.13 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1p31 s ILE 66 Cb -0.19 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1p31 s ILE 66 CO 0.12 0.54 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.86 1p31 s TYR 67 N -0.21 2.50 -0.23 3.97 2.02 0.08 -4.97 117.35 120.50 1p31 s TYR 67 Ca 0.04 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 1p31 s TYR 67 Cb -0.13 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 1p31 s TYR 67 CO 0.02 0.01 0.13 0.42 -1.57 0.00 0.00 175.55 174.56 1p31 s ILE 68 N -0.55 5.14 0.00 2.71 -1.09 -1.26 -1.71 121.20 124.45 1p31 s ILE 68 Ca 0.08 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1p31 s ILE 68 Cb -0.11 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1p31 s ILE 68 CO 0.01 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1p31 n GLY 69 N 4.23 2.17 3.60 6.18 0.00 0.38 -4.94 105.19 116.80 1p31 n GLY 69 Ca -0.15 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1p31 n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p31 s HIS 70 N -2.83 3.09 -0.21 1.61 3.76 -1.26 -4.42 115.29 115.02 1p31 s HIS 70 Ca 0.00 -0.01 -0.21 0.00 -0.15 0.00 0.00 55.06 54.69 1p31 s HIS 70 Cb 0.00 -1.86 0.06 0.00 1.11 0.00 0.00 32.58 31.89 1p31 s HIS 70 CO 0.00 0.25 0.59 0.00 -0.85 0.00 0.00 174.74 174.73 1p31 s ALA 71 N -0.33 -1.46 0.45 -1.40 0.00 -1.26 -4.90 121.76 112.86 1p31 s ALA 71 Ca 0.06 1.62 0.19 0.00 0.00 0.00 0.00 51.96 53.82 1p31 s ALA 71 Cb -0.12 -0.89 1.14 0.00 0.00 0.00 0.00 23.12 23.24 1p31 s ALA 71 CO 0.02 -0.28 1.92 1.05 0.00 0.00 0.00 175.76 178.47 1p31 h GLU 72 N 5.06 0.31 0.00 0.00 4.11 -1.95 -0.89 114.58 121.22 1p31 h GLU 72 Ca -0.28 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 1p31 h GLU 72 Cb 1.17 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1p31 h GLU 72 CO 0.15 0.21 -0.02 0.93 0.07 0.00 0.00 179.01 180.35 1p31 h GLU 73 N 0.32 0.00 0.00 1.06 3.07 -1.96 -3.01 114.58 114.06 1p31 h GLU 73 Ca 0.37 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1p31 h GLU 73 Cb 0.99 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1p31 h GLU 73 CO -0.10 0.02 -0.03 0.45 -1.40 0.00 0.00 179.01 177.94 1p31 h HIS 74 N 0.00 0.00 -0.00 4.33 3.86 -1.58 -2.49 115.15 119.27 1p31 h HIS 74 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1p31 h HIS 74 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1p31 h HIS 74 CO 0.00 0.03 -0.05 0.44 0.86 0.00 0.00 177.93 179.21 1p31 n ILE 75 N -3.88 0.00 -1.69 2.45 -5.35 -1.14 -4.84 119.36 104.92 1p31 n ILE 75 Ca -0.03 -0.05 -0.55 0.00 -0.27 0.00 0.00 62.75 61.85 1p31 n ILE 75 Cb 0.12 -0.21 -0.06 0.00 -1.74 0.00 0.00 39.64 37.75 1p31 n ILE 75 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1p31 n GLU 76 N -0.92 1.36 -0.01 6.28 4.07 -0.94 -1.19 120.64 129.29 1p31 n GLU 76 Ca 0.17 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 1p31 n GLU 76 Cb 0.24 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 1p31 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p31 n GLY 77 N 4.00 0.93 3.73 8.31 0.00 -1.26 -5.04 105.19 115.85 1p31 n GLY 77 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1p31 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p31 s ALA 78 N -2.33 3.71 -0.05 4.61 0.00 -0.34 -4.44 121.76 122.93 1p31 s ALA 78 Ca 0.00 1.34 0.13 0.00 0.00 0.00 0.00 51.96 53.43 1p31 s ALA 78 Cb 0.00 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 1p31 s ALA 78 CO 0.00 -0.76 0.99 0.77 0.00 0.00 0.00 175.76 176.77 1p31 h SER 79 N 6.14 0.00 -4.70 0.00 0.02 -0.96 -3.48 113.55 110.57 1p31 h SER 79 Ca -0.44 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 1p31 h SER 79 Cb 1.21 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 1p31 h SER 79 CO 0.86 0.79 -0.05 0.54 -1.14 0.00 0.00 176.83 177.83 1p31 s VAL 80 N -2.78 0.02 -0.11 2.27 0.11 -1.19 -4.28 120.40 114.44 1p31 s VAL 80 Ca -0.01 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1p31 s VAL 80 Cb 0.09 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1p31 s VAL 80 CO 0.81 -0.09 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.63 1p31 s VAL 81 N -0.83 2.74 -0.15 2.04 1.01 0.09 -1.25 120.40 124.05 1p31 s VAL 81 Ca -0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1p31 s VAL 81 Cb -0.03 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1p31 s VAL 81 CO 0.05 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1p31 s VAL 82 N 0.20 3.65 -0.07 2.92 1.01 0.19 -0.95 120.40 127.35 1p31 s VAL 82 Ca -0.10 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1p31 s VAL 82 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1p31 s VAL 82 CO 0.06 0.50 -0.23 0.68 0.00 0.00 0.00 175.10 176.11 1p31 s VAL 83 N 0.39 2.25 0.43 2.92 -7.23 0.14 -0.84 120.40 118.47 1p31 s VAL 83 Ca -0.06 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 1p31 s VAL 83 Cb -0.15 -1.84 -0.10 0.00 0.56 0.00 0.00 36.38 34.86 1p31 s VAL 83 CO 0.04 0.57 1.00 -0.55 -0.31 0.00 0.00 175.10 175.84 1p31 s SER 84 N -0.12 6.76 0.57 4.85 0.15 -1.00 -2.75 113.70 122.16 1p31 s SER 84 Ca -0.04 1.84 0.37 0.00 0.70 0.00 0.00 55.95 58.82 1p31 s SER 84 Cb -0.14 -2.56 2.03 0.00 -1.71 0.00 0.00 66.02 63.64 1p31 s SER 84 CO 0.04 -0.49 2.14 0.28 1.20 0.00 0.00 173.24 176.41 1p31 h SER 85 N 2.04 0.00 1.30 5.45 0.02 -1.99 -1.54 113.55 118.83 1p31 h SER 85 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1p31 h SER 85 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1p31 h SER 85 CO 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 1p31 h ALA 86 N 1.95 1.00 -2.66 3.77 0.00 -1.95 -3.45 119.26 117.92 1p31 h ALA 86 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1p31 h ALA 86 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1p31 h ALA 86 CO 0.00 0.00 0.40 0.42 0.00 0.00 0.00 179.25 180.07 1p31 s ILE 87 N -3.39 4.13 0.48 0.00 -1.09 -0.58 -5.05 121.20 115.71 1p31 s ILE 87 Ca 0.05 1.91 -0.10 0.00 -2.23 0.00 0.00 60.65 60.27 1p31 s ILE 87 Cb 0.08 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1p31 s ILE 87 CO 0.56 0.36 0.86 -0.54 -1.23 0.00 0.00 174.94 174.95 1p31 s LYS 88 N -0.55 3.71 0.18 2.79 1.02 -1.26 -4.98 119.74 120.66 1p31 s LYS 88 Ca 0.46 0.54 0.22 0.00 0.02 0.00 0.00 55.97 57.20 1p31 s LYS 88 Cb -0.26 -2.28 0.89 0.00 -0.52 0.00 0.00 37.83 35.65 1p31 s LYS 88 CO 0.33 -0.22 1.67 -3.47 -0.92 0.00 0.00 175.35 172.73 1p31 n ASP 89 N -1.87 0.50 -0.11 2.83 2.03 -1.26 -2.20 116.55 116.48 1p31 n ASP 89 Ca 0.03 0.61 0.12 0.00 0.52 0.00 0.00 54.79 56.08 1p31 n ASP 89 Cb 0.54 -0.72 0.27 0.00 -0.72 0.00 0.00 41.12 40.49 1p31 n ASP 89 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1p31 n ASP 90 N -2.04 0.78 -4.62 1.67 9.92 -1.26 -4.64 116.55 116.36 1p31 n ASP 90 Ca 0.03 -0.59 -0.55 0.00 -0.53 0.00 0.00 54.79 53.15 1p31 n ASP 90 Cb 0.24 0.26 -0.07 0.00 -0.64 0.00 0.00 41.12 40.91 1p31 n ASP 90 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1p31 n ASN 91 N -1.12 1.66 0.04 -2.24 2.85 -0.93 -4.83 115.26 110.70 1p31 n ASN 91 Ca 0.08 1.11 0.02 0.00 -0.11 0.00 0.00 54.58 55.69 1p31 n ASN 91 Cb 0.34 -1.13 0.38 0.00 1.24 0.00 0.00 39.78 40.61 1p31 n ASN 91 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1p31 h PRO 92 N 5.19 0.43 -0.08 1.20 0.13 -1.91 -1.47 132.00 135.48 1p31 h PRO 92 Ca -0.48 -0.07 -0.17 0.00 -0.87 0.00 0.00 66.00 64.42 1p31 h PRO 92 Cb 1.34 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1p31 h PRO 92 CO 0.83 0.42 -0.66 0.93 -0.23 0.00 0.00 178.00 179.28 1p31 h GLU 93 N 0.42 0.34 -0.04 0.86 5.08 -1.89 -2.75 114.58 116.60 1p31 h GLU 93 Ca 0.10 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1p31 h GLU 93 Cb 0.20 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p31 h GLU 93 CO -0.00 0.88 -0.16 1.25 -1.00 0.00 0.00 179.01 179.98 1p31 h LEU 94 N 0.24 0.21 -0.18 1.33 5.85 -1.79 -2.16 115.31 118.82 1p31 h LEU 94 Ca -0.02 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.08 1p31 h LEU 94 Cb 1.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1p31 h LEU 94 CO 0.11 0.82 0.03 0.58 -0.34 0.00 0.00 178.44 179.64 1p31 h VAL 95 N -0.39 0.92 -0.46 1.05 2.07 -1.35 -2.84 116.25 115.25 1p31 h VAL 95 Ca -0.01 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1p31 h VAL 95 Cb 0.81 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1p31 h VAL 95 CO 0.03 0.02 -0.05 0.74 0.02 0.00 0.00 177.57 178.33 1p31 h THR 96 N 0.10 1.25 -0.54 2.57 2.02 -1.56 -2.75 112.91 114.01 1p31 h THR 96 Ca 0.08 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.21 1p31 h THR 96 Cb 0.07 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1p31 h THR 96 CO -0.11 0.37 0.31 0.28 0.37 0.00 0.00 175.52 176.75 1p31 h SER 97 N 0.72 0.50 -0.15 4.18 0.02 -1.20 -1.71 113.55 115.92 1p31 h SER 97 Ca 0.13 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1p31 h SER 97 Cb 0.51 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1p31 h SER 97 CO 0.03 0.35 -0.12 0.11 -1.14 0.00 0.00 176.83 176.05 1p31 h LYS 98 N 0.62 0.51 -0.05 3.45 6.56 -1.38 -1.99 116.57 124.28 1p31 h LYS 98 Ca 0.22 -0.14 -0.08 0.00 -1.06 0.00 0.00 60.65 59.58 1p31 h LYS 98 Cb 0.05 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1p31 h LYS 98 CO -0.11 0.62 -0.36 1.96 -2.06 0.00 0.00 179.45 179.51 1p31 h GLN 99 N 0.47 0.10 -0.47 3.15 4.20 -1.09 -2.72 115.11 118.75 1p31 h GLN 99 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1p31 h GLN 99 Cb 0.49 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1p31 h GLN 99 CO 0.03 0.45 0.00 1.63 -0.67 0.00 0.00 178.83 180.27 1p31 n LYS 100 N -4.09 2.20 -2.00 1.46 5.02 -0.71 -4.93 118.16 115.11 1p31 n LYS 100 Ca -0.02 -1.85 -0.19 0.00 -2.02 0.00 0.00 58.31 54.23 1p31 n LYS 100 Cb 0.41 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1p31 n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1p31 n ARG 101 N 1.01 -1.61 -2.63 1.97 1.74 -1.03 -4.97 116.66 111.15 1p31 n ARG 101 Ca 0.18 1.04 -0.42 0.00 -0.77 0.00 0.00 57.85 57.87 1p31 n ARG 101 Cb 0.45 -5.55 -0.03 0.00 -1.02 0.00 0.00 32.46 26.32 1p31 n ARG 101 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1p31 s ILE 102 N -2.81 4.64 -0.03 0.55 1.01 -0.78 -4.97 121.20 118.81 1p31 s ILE 102 Ca 0.00 1.92 -0.39 0.00 0.00 0.00 0.00 60.65 62.19 1p31 s ILE 102 Cb 0.00 -4.23 -0.17 0.00 0.01 0.00 0.00 42.46 38.06 1p31 s ILE 102 CO 0.00 0.00 1.39 -2.65 0.00 0.00 0.00 174.94 173.68 1p31 n PRO 103 N 5.05 0.89 -4.10 2.79 -0.02 -1.26 -4.45 135.00 133.90 1p31 n PRO 103 Ca 0.09 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1p31 n PRO 103 Cb 0.48 -1.94 -0.16 0.00 -0.02 0.00 0.00 33.50 31.86 1p31 n PRO 103 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p31 s VAL 104 N 1.16 2.19 0.12 -1.45 1.01 -1.26 -0.73 120.40 121.44 1p31 s VAL 104 Ca 0.90 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1p31 s VAL 104 Cb -1.06 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1p31 s VAL 104 CO 0.54 0.53 -0.12 0.27 0.00 0.00 0.00 175.10 176.32 1p31 s ILE 105 N 1.31 1.20 0.61 2.22 -4.36 -0.12 -4.99 121.20 117.06 1p31 s ILE 105 Ca 0.05 -1.73 -0.13 0.00 -0.26 0.00 0.00 60.65 58.57 1p31 s ILE 105 Cb -0.13 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 1p31 s ILE 105 CO -0.12 -0.50 1.04 0.00 0.24 0.00 0.00 174.94 175.60 1p31 s GLN 106 N -2.82 3.39 0.23 0.37 -2.07 -1.26 -0.69 119.66 116.81 1p31 s GLN 106 Ca 0.09 0.98 -0.10 0.00 -1.82 0.00 0.00 55.36 54.51 1p31 s GLN 106 Cb -0.03 -2.05 0.34 0.00 -1.09 0.00 0.00 33.01 30.18 1p31 s GLN 106 CO 0.02 -0.74 1.62 -0.09 -1.32 0.00 0.00 175.29 174.78 1p31 h ARG 107 N 0.03 0.03 0.00 9.60 2.43 -1.88 -1.42 114.38 123.17 1p31 h ARG 107 Ca -0.45 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1p31 h ARG 107 Cb 1.20 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1p31 h ARG 107 CO 0.59 0.02 -0.29 0.00 -1.51 0.00 0.00 179.97 178.77 1p31 h ALA 108 N 1.72 1.36 0.00 2.80 0.00 -1.90 -0.17 119.26 123.06 1p31 h ALA 108 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p31 h ALA 108 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1p31 h ALA 108 CO -0.72 0.37 0.00 0.94 0.00 0.00 0.00 179.25 179.83 1p31 n GLN 109 N -3.96 0.41 0.00 0.00 7.27 -0.54 -0.81 117.38 119.75 1p31 n GLN 109 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1p31 n GLN 109 Cb 0.36 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.76 1p31 n GLN 109 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1p31 n LEU 111 N 0.57 0.00 -0.17 1.69 7.94 -0.08 -1.99 117.00 124.97 1p31 n LEU 111 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1p31 n LEU 111 Cb 0.16 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.36 1p31 n LEU 111 CO 0.00 0.00 1.16 0.00 -1.11 0.00 0.00 177.39 177.44 1p31 h ALA 112 N 0.00 1.43 -0.35 1.96 0.00 -1.23 -2.41 119.26 118.67 1p31 h ALA 112 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1p31 h ALA 112 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1p31 h ALA 112 CO 0.00 0.48 -0.33 0.93 0.00 0.00 0.00 179.25 180.33 1p31 h GLU 113 N 0.90 0.78 -0.90 0.00 4.39 -1.67 0.17 114.58 118.26 1p31 h GLU 113 Ca 0.23 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1p31 h GLU 113 Cb -0.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1p31 h GLU 113 CO -0.04 1.00 0.00 -0.89 -1.16 0.00 0.00 179.01 177.91 1p31 n ILE 114 N -4.07 0.00 0.00 3.13 5.41 -0.91 -4.44 119.36 118.48 1p31 n ILE 114 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1p31 n ILE 114 Cb 0.50 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 1p31 n ILE 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1p31 n ARG 116 N 0.72 0.00 -0.67 0.38 0.63 0.59 -4.38 116.66 113.94 1p31 n ARG 116 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 1p31 n ARG 116 Cb 0.00 0.00 0.35 0.00 0.45 0.00 0.00 32.46 33.26 1p31 n ARG 116 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1p31 n PHE 117 N 0.00 1.55 -4.32 -0.14 3.72 -1.26 -4.95 117.46 112.06 1p31 n PHE 117 Ca 0.00 -0.70 -0.24 0.00 -0.05 0.00 0.00 57.45 56.46 1p31 n PHE 117 Cb 0.00 -0.35 -0.08 0.00 -0.94 0.00 0.00 39.48 38.11 1p31 n PHE 117 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p31 s ARG 118 N -2.35 2.11 -0.83 -1.08 0.52 -1.26 -4.85 118.95 111.21 1p31 s ARG 118 Ca 0.49 -1.66 -0.22 0.00 -0.52 0.00 0.00 55.73 53.82 1p31 s ARG 118 Cb 0.35 -1.99 0.08 0.00 0.52 0.00 0.00 34.95 33.92 1p31 s ARG 118 CO 0.18 0.21 1.16 -1.58 0.02 0.00 0.00 175.30 175.29 1p31 s HIS 119 N -2.46 2.73 -0.07 -0.53 5.65 0.14 -4.92 115.29 115.82 1p31 s HIS 119 Ca 0.34 -0.80 -0.22 0.00 0.25 0.00 0.00 55.06 54.62 1p31 s HIS 119 Cb -0.02 -4.42 -0.04 0.00 -1.18 0.00 0.00 32.58 26.92 1p31 s HIS 119 CO 0.19 -1.72 0.65 0.20 -0.65 0.00 0.00 174.74 173.41 1p31 s GLY 120 N 3.94 2.57 -0.35 1.59 0.00 -1.26 -1.15 107.32 112.67 1p31 s GLY 120 Ca 0.32 0.06 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 1p31 s GLY 120 CO 0.01 1.08 0.10 -0.42 0.00 0.00 0.00 173.10 173.86 1p31 s ILE 121 N 0.72 3.40 -0.20 0.90 1.01 0.13 -1.95 121.20 125.22 1p31 s ILE 121 Ca 0.35 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1p31 s ILE 121 Cb -0.17 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1p31 s ILE 121 CO 0.16 -0.30 0.20 0.00 0.00 0.00 0.00 174.94 175.00 1p31 s ALA 122 N 1.29 3.64 -0.34 9.38 0.00 0.19 -0.82 121.76 135.09 1p31 s ALA 122 Ca -0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1p31 s ALA 122 Cb -0.21 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1p31 s ALA 122 CO -0.00 0.05 0.12 0.08 0.00 0.00 0.00 175.76 176.00 1p31 s VAL 123 N 0.58 3.92 0.51 0.00 1.01 0.39 -0.19 120.40 126.62 1p31 s VAL 123 Ca 0.11 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1p31 s VAL 123 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1p31 s VAL 123 CO 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 175.10 174.97 1p31 s ALA 124 N 1.43 4.15 0.00 5.51 0.00 0.94 -0.25 121.76 133.54 1p31 s ALA 124 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1p31 s ALA 124 Cb -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1p31 s ALA 124 CO 0.03 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1p31 n GLY 125 N -1.32 2.89 0.07 0.00 0.00 -1.26 -1.43 105.19 104.14 1p31 n GLY 125 Ca -0.17 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 1p31 n GLY 125 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p31 h THR 126 N 0.18 1.49 -3.70 2.61 2.02 -1.63 -3.45 112.91 110.43 1p31 h THR 126 Ca 0.00 -1.57 -0.59 0.00 0.77 0.00 0.00 66.41 65.02 1p31 h THR 126 Cb 0.00 2.54 -0.21 0.00 -1.74 0.00 0.00 68.15 68.75 1p31 h THR 126 CO 0.00 0.40 -0.83 -1.00 0.37 0.00 0.00 175.52 174.46 1p31 s HIS 127 N -3.46 1.98 0.00 3.16 3.76 -1.26 -4.78 115.29 114.68 1p31 s HIS 127 Ca -0.17 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1p31 s HIS 127 Cb -0.00 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.64 1p31 s HIS 127 CO 0.66 0.30 0.00 0.41 -0.85 0.00 0.00 174.74 175.26 1p31 n GLY 128 N 0.78 0.74 0.27 -2.22 0.00 -1.26 -4.59 105.19 98.91 1p31 n GLY 128 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1p31 n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p31 h LYS 129 N 3.82 0.91 -0.37 1.61 1.57 -1.87 -0.97 116.57 121.28 1p31 h LYS 129 Ca 0.00 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1p31 h LYS 129 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1p31 h LYS 129 CO 0.00 0.86 -0.03 1.15 -0.57 0.00 0.00 179.45 180.87 1p31 h THR 130 N 0.80 1.27 -0.25 -0.16 2.02 -1.93 -0.55 112.91 114.11 1p31 h THR 130 Ca 0.17 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 1p31 h THR 130 Cb 0.38 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1p31 h THR 130 CO 0.01 0.35 0.01 0.74 0.37 0.00 0.00 175.52 177.00 1p31 h THR 131 N 0.48 1.25 -0.70 3.16 2.02 -1.95 -2.29 112.91 114.89 1p31 h THR 131 Ca 0.10 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1p31 h THR 131 Cb 0.51 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1p31 h THR 131 CO 0.02 0.27 0.32 0.74 0.37 0.00 0.00 175.52 177.25 1p31 h THR 132 N 0.22 1.23 -0.54 3.16 2.02 -1.09 -2.42 112.91 115.50 1p31 h THR 132 Ca 0.07 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1p31 h THR 132 Cb 0.39 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1p31 h THR 132 CO 0.01 0.28 0.23 0.74 0.37 0.00 0.00 175.52 177.15 1p31 h THR 133 N 0.97 1.21 0.00 3.16 2.02 -1.09 -0.39 112.91 118.80 1p31 h THR 133 Ca 0.24 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1p31 h THR 133 Cb 0.14 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1p31 h THR 133 CO -0.03 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.11 1p31 n ALA 134 N -2.34 1.26 0.00 6.16 0.00 -0.86 -1.15 120.51 123.58 1p31 n ALA 134 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1p31 n ALA 134 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1p31 n ALA 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1p31 n ILE 136 N 0.60 0.00 0.00 0.00 5.41 -0.16 -4.64 119.36 120.58 1p31 n ILE 136 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1p31 n ILE 136 Cb 0.03 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 1p31 n ILE 136 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1p31 n SER 137 N 0.00 0.00 0.00 4.38 7.64 -0.30 -1.04 113.62 124.31 1p31 n SER 137 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1p31 n SER 137 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1p31 n SER 137 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1p31 n ILE 139 N 0.18 0.00 -0.00 0.44 5.41 -1.26 -1.52 119.36 122.61 1p31 n ILE 139 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 1p31 n ILE 139 Cb 0.00 0.00 0.33 0.00 -0.71 0.00 0.00 39.64 39.26 1p31 n ILE 139 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1p31 h TYR 140 N 0.00 0.53 -0.26 1.39 0.05 -1.47 0.59 116.97 117.80 1p31 h TYR 140 Ca 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 1p31 h TYR 140 Cb 0.00 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1p31 h TYR 140 CO 0.00 0.47 -0.02 1.15 -1.05 0.00 0.00 178.16 178.71 1p31 h THR 141 N 0.52 1.27 -0.03 -2.88 2.02 -1.51 -1.35 112.91 110.94 1p31 h THR 141 Ca 0.12 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1p31 h THR 141 Cb 0.21 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1p31 h THR 141 CO -0.00 0.30 -0.23 -0.61 0.37 0.00 0.00 175.52 175.35 1p31 h GLN 142 N 0.24 0.05 0.00 6.66 5.75 -1.70 -1.27 115.11 124.84 1p31 h GLN 142 Ca 0.07 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1p31 h GLN 142 Cb 0.45 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.00 1p31 h GLN 142 CO 0.02 0.28 0.00 0.00 -2.65 0.00 0.00 178.83 176.48 1p31 n ALA 143 N -2.49 2.45 -2.21 3.38 0.00 0.15 -4.86 120.51 116.93 1p31 n ALA 143 Ca -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1p31 n ALA 143 Cb 0.30 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1p31 n ALA 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p31 n LYS 144 N -0.77 -1.19 0.00 0.00 5.02 -0.48 -4.90 118.16 115.84 1p31 n LYS 144 Ca 0.11 0.76 0.12 0.00 -2.02 0.00 0.00 58.31 57.28 1p31 n LYS 144 Cb 0.05 -5.08 0.15 0.00 -0.02 0.00 0.00 35.03 30.13 1p31 n LYS 144 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p31 n LEU 145 N -2.13 0.83 -3.69 -0.35 4.77 -0.53 -4.99 117.00 110.92 1p31 n LEU 145 Ca -0.18 -0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.25 1p31 n LEU 145 Cb 0.62 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1p31 n LEU 145 CO 0.21 0.19 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.72 1p31 n ASP 146 N -1.26 -5.27 -4.80 -1.43 2.03 -1.25 -4.51 116.55 100.06 1p31 n ASP 146 Ca 0.06 -1.02 -0.33 0.00 0.52 0.00 0.00 54.79 54.03 1p31 n ASP 146 Cb 0.35 -3.36 0.02 0.00 -0.72 0.00 0.00 41.12 37.41 1p31 n ASP 146 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1p31 s PRO 147 N -6.00 3.19 0.08 -0.67 0.04 -1.26 -3.03 135.00 127.34 1p31 s PRO 147 Ca 0.47 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.51 1p31 s PRO 147 Cb -0.17 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1p31 s PRO 147 CO 0.86 -0.92 0.64 0.99 0.04 0.00 0.00 177.00 178.61 1p31 s THR 148 N -2.49 4.69 0.06 1.26 2.01 0.20 -3.42 115.64 117.94 1p31 s THR 148 Ca 0.64 1.37 0.03 0.00 0.31 0.00 0.00 61.69 64.03 1p31 s THR 148 Cb -0.17 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1p31 s THR 148 CO 0.39 0.51 -0.09 0.72 -0.69 0.00 0.00 174.62 175.46 1p31 s PHE 149 N -0.85 0.85 -0.27 4.92 -0.71 -0.34 -0.97 117.98 120.60 1p31 s PHE 149 Ca 0.32 -0.54 -0.03 0.00 -1.04 0.00 0.00 56.93 55.63 1p31 s PHE 149 Cb -0.20 -0.49 0.09 0.00 -1.21 0.00 0.00 43.02 41.21 1p31 s PHE 149 CO 0.21 -0.05 0.11 0.08 -1.34 0.00 0.00 175.22 174.23 1p31 s VAL 150 N -1.66 0.14 0.19 -2.49 1.01 -0.44 -1.11 120.40 116.04 1p31 s VAL 150 Ca -0.05 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1p31 s VAL 150 Cb -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1p31 s VAL 150 CO 0.00 -0.62 0.16 0.21 0.00 0.00 0.00 175.10 174.85 1p31 s ASN 151 N 2.00 5.53 0.00 3.32 2.47 0.56 -1.72 114.94 127.10 1p31 s ASN 151 Ca 0.08 -0.16 0.06 0.00 0.42 0.00 0.00 52.86 53.26 1p31 s ASN 151 Cb -0.16 -1.44 0.25 0.00 -1.45 0.00 0.00 41.25 38.45 1p31 s ASN 151 CO -0.29 0.04 1.18 0.61 -3.72 0.00 0.00 177.10 174.92 1p31 n GLY 152 N -0.59 -0.46 3.83 1.21 0.00 -1.26 -4.64 105.19 103.27 1p31 n GLY 152 Ca -0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1p31 n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p31 s GLY 153 N -1.09 0.12 0.31 -0.02 0.00 -1.26 -4.76 107.32 100.62 1p31 s GLY 153 Ca 0.11 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.14 1p31 s GLY 153 CO 0.08 0.78 1.41 -2.27 0.00 0.00 0.00 173.10 173.11 1p31 s LEU 154 N -3.16 4.38 -0.47 0.66 2.96 -1.26 -4.42 118.68 117.37 1p31 s LEU 154 Ca 0.17 2.78 -0.20 0.00 -0.22 0.00 0.00 54.13 56.66 1p31 s LEU 154 Cb -0.04 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 43.05 1p31 s LEU 154 CO 0.07 -0.69 0.63 -0.69 -1.32 0.00 0.00 176.35 174.34 1p31 s VAL 155 N -0.65 4.85 0.24 1.68 1.01 0.02 0.05 120.40 127.61 1p31 s VAL 155 Ca 0.54 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1p31 s VAL 155 Cb -0.43 -4.24 0.21 0.00 0.00 0.00 0.00 36.38 31.92 1p31 s VAL 155 CO 0.51 -0.68 1.86 0.11 0.00 0.00 0.00 175.10 176.90 1p31 h LYS 156 N 8.93 1.19 0.00 2.72 1.57 -1.63 -0.20 116.57 129.15 1p31 h LYS 156 Ca -0.26 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1p31 h LYS 156 Cb 1.10 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1p31 h LYS 156 CO 0.92 0.88 -0.13 0.66 -0.57 0.00 0.00 179.45 181.21 1p31 h SER 157 N 1.19 0.00 1.03 0.86 4.64 -1.87 -2.46 113.55 116.94 1p31 h SER 157 Ca 0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 1p31 h SER 157 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1p31 h SER 157 CO -0.05 0.13 -1.01 0.00 -0.87 0.00 0.00 176.83 175.04 1p31 h ALA 158 N 1.87 0.60 -0.51 5.18 0.00 -1.50 -3.48 119.26 121.42 1p31 h ALA 158 Ca -0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1p31 h ALA 158 Cb 0.31 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1p31 h ALA 158 CO 0.02 0.33 -0.20 0.41 0.00 0.00 0.00 179.25 179.81 1p31 n GLY 159 N 1.24 1.19 3.54 0.00 0.00 -0.33 -4.98 105.19 105.86 1p31 n GLY 159 Ca -0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1p31 n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p31 s LYS 160 N -2.82 1.44 0.27 1.61 -2.85 -1.22 -4.97 119.74 111.19 1p31 s LYS 160 Ca 0.00 -1.10 0.20 0.00 -1.00 0.00 0.00 55.97 54.06 1p31 s LYS 160 Cb 0.00 0.48 0.09 0.00 -2.06 0.00 0.00 37.83 36.34 1p31 s LYS 160 CO 0.00 -0.60 1.27 -0.91 0.10 0.00 0.00 175.35 175.21 1p31 h ASN 161 N 2.27 0.00 -5.06 0.03 4.21 -1.88 0.10 115.58 115.25 1p31 h ASN 161 Ca -0.27 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.14 1p31 h ASN 161 Cb 1.25 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 38.28 1p31 h ASN 161 CO 0.37 0.23 -0.31 0.00 -1.29 0.00 0.00 177.43 176.44 1p31 s ALA 162 N -3.14 -0.54 -0.17 -0.83 0.00 -1.26 -0.32 121.76 115.49 1p31 s ALA 162 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 1p31 s ALA 162 Cb 0.08 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.55 1p31 s ALA 162 CO 0.75 -0.39 0.44 -1.58 0.00 0.00 0.00 175.76 174.98 1p31 s HIS 163 N -2.56 -0.57 -0.33 0.00 2.46 -0.27 -4.93 115.29 109.10 1p31 s HIS 163 Ca -0.05 1.28 -0.20 0.00 0.47 0.00 0.00 55.06 56.56 1p31 s HIS 163 Cb -0.01 0.23 -0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1p31 s HIS 163 CO -0.04 -0.29 0.61 -1.17 -2.47 0.00 0.00 174.74 171.38 1p31 s LEU 164 N 0.78 4.20 0.37 8.88 2.96 -1.26 -1.20 118.68 133.42 1p31 s LEU 164 Ca -0.04 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1p31 s LEU 164 Cb -0.05 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1p31 s LEU 164 CO -0.06 -0.51 0.54 -0.83 -1.32 0.00 0.00 176.35 174.16 1p31 s GLY 165 N 1.71 1.55 0.00 7.98 0.00 -1.22 -4.91 107.32 112.43 1p31 s GLY 165 Ca 0.24 -1.29 0.29 0.00 0.00 0.00 0.00 44.72 43.96 1p31 s GLY 165 CO 0.13 -1.18 1.90 0.00 0.00 0.00 0.00 173.10 173.94 1p31 n ALA 166 N -1.79 2.71 -2.28 3.20 0.00 -1.22 -4.63 120.51 116.50 1p31 n ALA 166 Ca -0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 1p31 n ALA 166 Cb 0.58 -1.32 0.11 0.00 0.00 0.00 0.00 19.45 18.82 1p31 n ALA 166 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p31 n SER 167 N -0.62 0.75 -0.14 0.00 3.41 -1.17 -5.00 113.62 110.86 1p31 n SER 167 Ca 0.18 -1.73 0.13 0.00 -0.26 0.00 0.00 58.87 57.19 1p31 n SER 167 Cb 0.26 -0.59 0.42 0.00 -0.26 0.00 0.00 64.21 64.05 1p31 n SER 167 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p31 n ARG 168 N -2.66 0.54 -2.58 4.33 1.74 -1.26 -4.80 116.66 111.97 1p31 n ARG 168 Ca 0.13 -0.27 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 1p31 n ARG 168 Cb 0.45 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1p31 n ARG 168 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1p31 s TYR 169 N -2.65 3.68 -0.07 -1.55 2.02 -1.26 0.26 117.35 117.78 1p31 s TYR 169 Ca 0.22 1.68 0.01 0.00 -0.37 0.00 0.00 57.07 58.61 1p31 s TYR 169 Cb 0.19 -3.20 0.02 0.00 -0.40 0.00 0.00 41.96 38.57 1p31 s TYR 169 CO 0.55 -0.31 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.97 1p31 s LEU 170 N -0.47 1.38 -0.20 -1.29 2.96 -0.30 -0.63 118.68 120.12 1p31 s LEU 170 Ca 0.48 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1p31 s LEU 170 Cb -0.28 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1p31 s LEU 170 CO 0.34 -0.04 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.67 1p31 s ILE 171 N 1.06 3.67 -0.00 6.68 -1.09 -0.14 0.22 121.20 131.59 1p31 s ILE 171 Ca -0.08 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 1p31 s ILE 171 Cb -0.14 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 1p31 s ILE 171 CO -0.01 0.43 -0.01 0.00 -1.23 0.00 0.00 174.94 174.13 1p31 s ALA 172 N 1.15 0.12 0.18 9.38 0.00 0.00 -1.33 121.76 131.26 1p31 s ALA 172 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1p31 s ALA 172 Cb -0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.83 1p31 s ALA 172 CO 0.00 0.01 1.27 -2.00 0.00 0.00 0.00 175.76 175.05 1p31 s GLU 173 N 0.13 4.42 -0.26 0.00 2.12 -0.70 -0.47 118.70 123.94 1p31 s GLU 173 Ca -0.01 1.98 -0.03 0.00 0.36 0.00 0.00 54.97 57.27 1p31 s GLU 173 Cb -0.02 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.17 1p31 s GLU 173 CO -0.00 -0.22 -0.03 0.00 -0.54 0.00 0.00 175.26 174.47 1p31 s ALA 174 N 0.21 2.78 -0.24 6.30 0.00 0.66 -4.83 121.76 126.66 1p31 s ALA 174 Ca 0.56 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 1p31 s ALA 174 Cb -0.35 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1p31 s ALA 174 CO 0.36 -0.89 0.74 0.34 0.00 0.00 0.00 175.76 176.31 1p31 s ASP 175 N 1.35 6.75 0.19 0.00 2.15 -1.26 -4.43 116.67 121.41 1p31 s ASP 175 Ca -0.00 0.92 0.24 0.00 0.43 0.00 0.00 52.55 54.14 1p31 s ASP 175 Cb -0.17 -2.40 0.39 0.00 -0.30 0.00 0.00 42.92 40.44 1p31 s ASP 175 CO -0.03 -0.44 1.41 1.05 -0.17 0.00 0.00 175.17 177.00 1p31 h GLU 176 N 7.70 0.00 -0.00 4.34 9.09 -1.95 -2.13 114.58 131.62 1p31 h GLU 176 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1p31 h GLU 176 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1p31 h GLU 176 CO 0.83 0.00 0.07 0.66 0.05 0.00 0.00 179.01 180.61 1p31 h SER 177 N 0.00 0.00 0.00 3.06 4.64 -1.94 0.16 113.55 119.46 1p31 h SER 177 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p31 h SER 177 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1p31 h SER 177 CO 0.00 0.00 -0.30 -0.90 -0.87 0.00 0.00 176.83 174.76 1p31 n ASP 178 N -3.05 1.04 -1.17 4.97 5.68 -1.26 -4.64 116.55 118.13 1p31 n ASP 178 Ca -0.03 -2.49 -0.14 0.00 -0.50 0.00 0.00 54.79 51.62 1p31 n ASP 178 Cb 0.13 -0.31 -0.06 0.00 -1.14 0.00 0.00 41.12 39.75 1p31 n ASP 178 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p31 n ALA 179 N -0.61 -0.22 0.26 2.12 0.00 0.54 -4.87 120.51 117.73 1p31 n ALA 179 Ca 0.07 0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.90 1p31 n ALA 179 Cb 0.69 -1.79 0.50 0.00 0.00 0.00 0.00 19.45 18.84 1p31 n ALA 179 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1p31 h SER 180 N 0.00 0.00 0.20 0.00 4.64 -1.77 -2.66 113.55 113.96 1p31 h SER 180 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1p31 h SER 180 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1p31 h SER 180 CO 0.43 0.01 0.00 2.22 -0.87 0.00 0.00 176.83 178.62 1p31 n PHE 181 N -3.10 0.10 0.32 4.77 -0.00 -0.80 -1.93 117.46 116.81 1p31 n PHE 181 Ca 0.02 0.05 0.12 0.00 -0.00 0.00 0.00 57.45 57.63 1p31 n PHE 181 Cb 0.39 -0.57 0.53 0.00 -0.00 0.00 0.00 39.48 39.83 1p31 n PHE 181 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1p31 n LEU 182 N -1.60 0.66 0.20 5.98 4.77 -1.00 -1.64 117.00 124.37 1p31 n LEU 182 Ca 0.01 0.71 0.07 0.00 -0.03 0.00 0.00 56.01 56.77 1p31 n LEU 182 Cb 0.07 -0.66 0.34 0.00 -2.33 0.00 0.00 43.42 40.84 1p31 n LEU 182 CO 0.06 -0.70 0.71 0.45 -1.33 0.00 0.00 177.39 176.57 1p31 h HIS 183 N 0.00 0.00 -3.79 -1.77 3.86 -1.64 -3.46 115.15 108.35 1p31 h HIS 183 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 1p31 h HIS 183 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1p31 h HIS 183 CO 0.00 0.32 0.38 -0.51 0.86 0.00 0.00 177.93 178.98 1p31 s LEU 184 N -6.85 4.56 -0.65 2.43 1.43 -0.65 -4.80 118.68 114.14 1p31 s LEU 184 Ca 0.01 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 1p31 s LEU 184 Cb 0.10 -3.70 0.17 0.00 0.03 0.00 0.00 46.19 42.80 1p31 s LEU 184 CO 0.67 0.04 0.49 0.00 0.23 0.00 0.00 176.35 177.78 1p31 n GLN 185 N 1.23 1.59 0.00 1.70 1.13 -1.26 -4.88 117.38 116.89 1p31 n GLN 185 Ca -0.01 -4.27 0.00 0.00 -1.94 0.00 0.00 57.00 50.78 1p31 n GLN 185 Cb 0.47 -2.17 0.00 0.00 0.11 0.00 0.00 30.24 28.65 1p31 n GLN 185 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1p31 n PRO 186 N 2.03 3.42 -0.98 -1.09 -0.02 -1.26 -4.76 135.00 132.34 1p31 n PRO 186 Ca 0.22 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1p31 n PRO 186 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.82 1p31 n PRO 186 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1p31 n VAL 188 N 0.00 0.71 -4.51 -1.45 0.31 -0.82 -4.31 118.33 108.25 1p31 n VAL 188 Ca 0.00 -0.18 -0.24 0.00 -0.01 0.00 0.00 64.34 63.91 1p31 n VAL 188 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 1p31 n VAL 188 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1p31 s SER 189 N -0.35 1.67 -0.14 4.52 0.01 -0.16 -0.64 113.70 118.62 1p31 s SER 189 Ca 0.52 -0.28 -0.06 0.00 1.31 0.00 0.00 55.95 57.45 1p31 s SER 189 Cb -0.74 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1p31 s SER 189 CO 0.38 0.02 0.07 -0.69 0.41 0.00 0.00 173.24 173.43 1p31 s VAL 190 N 0.72 4.88 -0.21 3.43 1.01 0.74 -0.11 120.40 130.86 1p31 s VAL 190 Ca -0.14 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1p31 s VAL 190 Cb -0.16 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1p31 s VAL 190 CO 0.03 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 1p31 s VAL 191 N -0.40 1.98 0.07 2.92 1.01 -0.05 -0.04 120.40 125.89 1p31 s VAL 191 Ca 0.10 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1p31 s VAL 191 Cb -0.12 -1.96 -0.25 0.00 0.00 0.00 0.00 36.38 34.05 1p31 s VAL 191 CO 0.02 0.24 1.17 0.71 0.00 0.00 0.00 175.10 177.23 1p31 h THR 192 N 6.36 1.29 0.00 3.92 1.35 -1.52 -2.83 112.91 121.48 1p31 h THR 192 Ca -0.31 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 1p31 h THR 192 Cb 1.09 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1p31 h THR 192 CO 0.53 0.72 0.00 -0.46 -0.25 0.00 0.00 175.52 176.06 1p31 n ASN 193 N -3.81 0.19 0.00 5.36 0.23 -1.26 -4.39 115.26 111.58 1p31 n ASN 193 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 1p31 n ASN 193 Cb 0.92 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.62 1p31 n ASN 193 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p31 n GLU 195 N 0.00 0.00 -1.69 -3.83 -0.58 -1.26 -1.55 120.64 111.73 1p31 n GLU 195 Ca 0.00 0.00 -0.55 0.00 -0.42 0.00 0.00 57.16 56.19 1p31 n GLU 195 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1p31 n GLU 195 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1p31 n PRO 196 N -1.01 1.36 -3.51 3.49 -0.02 -1.26 -4.91 135.00 129.14 1p31 n PRO 196 Ca 0.00 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 1p31 n PRO 196 Cb 0.00 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 1p31 n PRO 196 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1p31 s ASP 197 N 3.96 -0.43 0.03 2.55 3.68 -1.26 -5.18 116.67 120.02 1p31 s ASP 197 Ca 0.98 0.17 0.00 0.00 2.13 0.00 0.00 52.55 55.83 1p31 s ASP 197 Cb -0.98 0.41 0.00 0.00 -1.45 0.00 0.00 42.92 40.90 1p31 s ASP 197 CO 0.62 -0.60 0.00 1.41 0.13 0.00 0.00 175.17 176.73 1p31 n HIS 198 N 0.09 -2.76 0.00 -5.34 8.25 -1.26 -4.96 115.22 109.24 1p31 n HIS 198 Ca -0.11 1.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.99 1p31 n HIS 198 Cb 0.61 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.15 1p31 n HIS 198 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1p31 n ASP 200 N 1.90 0.00 0.22 0.41 9.92 -1.26 -3.59 116.55 124.15 1p31 n ASP 200 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.35 1p31 n ASP 200 Cb 0.00 0.00 0.46 0.00 -0.64 0.00 0.00 41.12 40.94 1p31 n ASP 200 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1p31 h THR 201 N 0.00 0.64 -0.08 -3.53 2.02 -1.94 -2.98 112.91 107.03 1p31 h THR 201 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1p31 h THR 201 Cb 0.00 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1p31 h THR 201 CO 0.00 0.24 0.00 -1.22 0.37 0.00 0.00 175.52 174.91 1p31 n TYR 202 N -3.45 0.08 -3.68 3.16 4.02 -1.24 -4.97 117.16 111.07 1p31 n TYR 202 Ca -0.00 -0.06 -0.24 0.00 -0.01 0.00 0.00 57.90 57.59 1p31 n TYR 202 Cb 0.43 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.80 1p31 n TYR 202 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1p31 n GLU 203 N 0.87 -6.15 -0.55 -0.72 -0.58 -1.13 -2.00 120.64 110.38 1p31 n GLU 203 Ca 0.10 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1p31 n GLU 203 Cb 0.40 -5.57 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 1p31 n GLU 203 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p31 n GLY 204 N -1.62 1.36 3.42 0.62 0.00 -1.26 -4.97 105.19 102.73 1p31 n GLY 204 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1p31 n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p31 s ASP 205 N -3.06 6.20 0.35 1.61 -1.08 -0.85 -4.90 116.67 114.94 1p31 s ASP 205 Ca 0.00 -1.15 0.02 0.00 -0.52 0.00 0.00 52.55 50.91 1p31 s ASP 205 Cb 0.00 -2.32 0.63 0.00 -1.46 0.00 0.00 42.92 39.77 1p31 s ASP 205 CO 0.00 -1.10 2.01 0.15 0.52 0.00 0.00 175.17 176.75 1p31 h PHE 206 N 9.19 0.79 -0.45 -5.34 -0.00 -1.93 -2.50 116.94 116.70 1p31 h PHE 206 Ca -0.29 0.02 -0.06 0.00 -0.00 0.00 0.00 57.97 57.64 1p31 h PHE 206 Cb 1.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 36.75 1p31 h PHE 206 CO 0.83 0.51 0.01 0.93 -0.00 0.00 0.00 178.31 180.59 1p31 h GLU 207 N 0.85 0.72 -1.27 1.11 4.39 -1.96 -0.78 114.58 117.65 1p31 h GLU 207 Ca 0.23 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1p31 h GLU 207 Cb -0.09 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1p31 h GLU 207 CO -0.05 0.73 0.00 1.63 -1.16 0.00 0.00 179.01 180.16 1p31 n LYS 208 N -4.24 0.30 0.00 2.33 5.02 -0.94 -1.12 118.16 119.51 1p31 n LYS 208 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1p31 n LYS 208 Cb 0.28 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1p31 n LYS 208 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1p31 n LYS 210 N 0.70 0.00 -0.08 1.97 5.02 -0.30 -1.13 118.16 124.33 1p31 n LYS 210 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1p31 n LYS 210 Cb 0.13 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.39 1p31 n LYS 210 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p31 h ALA 211 N 0.00 1.34 -0.37 7.82 0.00 -1.39 -2.29 119.26 124.37 1p31 h ALA 211 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1p31 h ALA 211 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1p31 h ALA 211 CO 0.00 0.48 -0.39 1.15 0.00 0.00 0.00 179.25 180.49 1p31 h THR 212 N 0.70 1.27 -0.71 0.00 2.02 -1.39 -0.34 112.91 114.46 1p31 h THR 212 Ca 0.16 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 1p31 h THR 212 Cb 0.22 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1p31 h THR 212 CO -0.01 0.52 0.24 1.88 0.37 0.00 0.00 175.52 178.52 1p31 h TYR 213 N 0.72 1.13 -0.36 3.16 0.05 -1.80 0.57 116.97 120.44 1p31 h TYR 213 Ca 0.06 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1p31 h TYR 213 Cb 0.98 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1p31 h TYR 213 CO 0.07 0.89 0.19 0.28 -1.05 0.00 0.00 178.16 178.53 1p31 h VAL 214 N 1.04 1.15 -0.68 -2.88 2.07 -1.24 0.12 116.25 115.84 1p31 h VAL 214 Ca 0.23 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1p31 h VAL 214 Cb 0.28 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1p31 h VAL 214 CO -0.01 0.16 0.34 0.11 0.02 0.00 0.00 177.57 178.18 1p31 h LYS 215 N 0.45 0.58 -0.45 1.57 1.57 -0.81 -0.57 116.57 118.91 1p31 h LYS 215 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1p31 h LYS 215 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1p31 h LYS 215 CO -0.02 0.38 0.28 0.35 -0.57 0.00 0.00 179.45 179.88 1p31 h PHE 216 N 0.60 0.59 0.00 -1.35 3.04 -0.29 -2.48 116.94 117.05 1p31 h PHE 216 Ca 0.32 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.21 1p31 h PHE 216 Cb 0.31 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1p31 h PHE 216 CO -0.11 0.40 -0.32 -0.07 -2.02 0.00 0.00 178.31 176.19 1p31 h LEU 217 N 0.61 0.00 -0.28 0.59 3.38 -0.44 -1.65 115.31 117.52 1p31 h LEU 217 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1p31 h LEU 217 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1p31 h LEU 217 CO -0.03 0.32 0.00 1.41 0.09 0.00 0.00 178.44 180.22 1p31 n HIS 218 N -3.80 0.28 0.30 1.13 8.25 -0.27 -1.87 115.22 119.24 1p31 n HIS 218 Ca -0.01 0.11 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 1p31 n HIS 218 Cb 0.40 -0.68 0.50 0.00 1.12 0.00 0.00 29.99 31.33 1p31 n HIS 218 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1p31 h ASN 219 N 0.00 0.00 -4.00 0.41 2.35 -1.15 -3.45 115.58 109.74 1p31 h ASN 219 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1p31 h ASN 219 Cb 0.25 0.00 0.14 0.00 0.05 0.00 0.00 38.32 38.76 1p31 h ASN 219 CO 0.00 0.00 0.62 0.18 -1.65 0.00 0.00 177.43 176.58 1p31 n LEU 220 N -2.93 5.41 -4.68 1.61 4.77 -0.78 -4.57 117.00 115.83 1p31 n LEU 220 Ca 0.02 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.71 1p31 n LEU 220 Cb 0.37 -1.58 0.15 0.00 -2.33 0.00 0.00 43.42 40.03 1p31 n LEU 220 CO 0.28 -0.51 0.66 -2.16 -1.33 0.00 0.00 177.39 174.33 1p31 s PRO 221 N -2.79 1.07 0.55 3.23 0.04 -1.26 -4.83 135.00 131.01 1p31 s PRO 221 Ca 0.69 1.11 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1p31 s PRO 221 Cb -0.42 -1.76 1.46 0.00 0.04 0.00 0.00 34.50 33.81 1p31 s PRO 221 CO 0.51 -2.46 2.00 0.27 0.04 0.00 0.00 177.00 177.36 1p31 h PHE 222 N -1.72 0.00 -0.22 0.56 -0.00 -1.94 0.24 116.94 113.86 1p31 h PHE 222 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 1p31 h PHE 222 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 1p31 h PHE 222 CO 0.46 0.00 0.00 2.48 -0.00 0.00 0.00 178.31 181.25 1p31 n TYR 223 N -4.14 0.26 -1.00 6.09 4.11 -1.26 -4.71 117.16 116.51 1p31 n TYR 223 Ca 0.08 -0.13 -0.29 0.00 -0.00 0.00 0.00 57.90 57.56 1p31 n TYR 223 Cb 0.56 0.00 0.20 0.00 -0.00 0.00 0.00 39.34 40.09 1p31 n TYR 223 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1p31 s GLY 224 N -1.69 1.56 -0.07 -7.48 0.00 0.83 -4.93 107.32 95.55 1p31 s GLY 224 Ca 0.35 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.83 1p31 s GLY 224 CO 0.30 0.35 -0.20 -2.27 0.00 0.00 0.00 173.10 171.29 1p31 s LEU 225 N -6.66 1.94 -0.18 0.66 2.96 -1.26 -3.68 118.68 112.46 1p31 s LEU 225 Ca 0.66 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1p31 s LEU 225 Cb -0.20 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1p31 s LEU 225 CO 0.59 0.15 -0.01 0.00 -1.32 0.00 0.00 176.35 175.76 1p31 s ALA 226 N 0.25 3.06 0.02 5.97 0.00 -0.18 -0.98 121.76 129.89 1p31 s ALA 226 Ca -0.11 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1p31 s ALA 226 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1p31 s ALA 226 CO 0.05 0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.85 1p31 s VAL 227 N 0.68 3.64 -0.19 0.00 1.01 0.85 -0.44 120.40 125.95 1p31 s VAL 227 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1p31 s VAL 227 Cb -0.14 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1p31 s VAL 227 CO 0.02 0.35 -0.15 0.00 0.00 0.00 0.00 175.10 175.32 1p31 h ALA 230 N 7.97 1.00 -0.01 0.00 0.00 -0.30 -2.95 119.26 124.98 1p31 h ALA 230 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1p31 h ALA 230 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1p31 h ALA 230 CO 0.63 0.00 -0.09 -0.25 0.00 0.00 0.00 179.25 179.54 1p31 n ASP 231 N -2.79 0.91 -4.36 0.00 8.00 -1.26 -4.73 116.55 112.33 1p31 n ASP 231 Ca 0.01 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 1p31 n ASP 231 Cb 0.25 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 1p31 n ASP 231 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1p31 s ASP 232 N -2.24 5.85 0.38 -2.24 -1.08 -1.12 -4.97 116.67 111.25 1p31 s ASP 232 Ca 0.34 -1.21 0.08 0.00 -0.52 0.00 0.00 52.55 51.23 1p31 s ASP 232 Cb 0.20 -2.07 0.82 0.00 -1.46 0.00 0.00 42.92 40.41 1p31 s ASP 232 CO 0.42 -0.50 1.97 -0.65 0.52 0.00 0.00 175.17 176.93 1p31 h PRO 233 N 8.53 0.64 -0.30 4.34 0.11 -1.88 -1.93 132.00 141.50 1p31 h PRO 233 Ca -0.26 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1p31 h PRO 233 Cb 1.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1p31 h PRO 233 CO 0.75 0.42 0.13 0.28 -0.21 0.00 0.00 178.00 179.37 1p31 h VAL 234 N 0.66 1.17 0.00 3.15 2.07 -1.96 -1.75 116.25 119.59 1p31 h VAL 234 Ca 0.29 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1p31 h VAL 234 Cb 0.29 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1p31 h VAL 234 CO -0.09 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.86 1p31 n LEU 235 N -4.75 0.18 0.00 2.57 4.77 -0.73 -2.33 117.00 116.71 1p31 n LEU 235 Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1p31 n LEU 235 Cb 0.12 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1p31 n LEU 235 CO 0.36 0.03 0.00 1.21 -1.33 0.00 0.00 177.39 177.66 1p31 n GLU 237 N 0.79 0.00 0.05 3.23 4.07 -0.66 -2.71 120.64 125.42 1p31 n GLU 237 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1p31 n GLU 237 Cb 0.03 0.00 0.18 0.00 -0.06 0.00 0.00 31.44 31.59 1p31 n GLU 237 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1p31 n LEU 238 N 0.00 0.66 -0.15 4.31 4.77 -0.98 -4.35 117.00 121.25 1p31 n LEU 238 Ca 0.00 0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1p31 n LEU 238 Cb 0.00 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1p31 n LEU 238 CO 0.00 -0.03 0.82 0.58 -1.33 0.00 0.00 177.39 177.43 1p31 h VAL 239 N 0.00 0.60 -0.33 4.08 2.07 -1.82 -1.11 116.25 119.74 1p31 h VAL 239 Ca 0.00 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1p31 h VAL 239 Cb 0.71 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1p31 h VAL 239 CO 0.00 0.01 0.29 -0.65 0.02 0.00 0.00 177.57 177.24 1p31 h PRO 240 N 0.07 0.00 -0.00 1.57 0.11 -1.92 -1.66 132.00 130.17 1p31 h PRO 240 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1p31 h PRO 240 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1p31 h PRO 240 CO -0.42 0.00 -0.23 1.63 -0.21 0.00 0.00 178.00 178.76 1p31 n LYS 241 N -4.06 0.20 -0.05 1.05 5.02 -0.43 -4.38 118.16 115.51 1p31 n LYS 241 Ca 0.05 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 1p31 n LYS 241 Cb 0.46 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 1p31 n LYS 241 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1p31 h VAL 242 N 0.19 1.36 -0.76 -0.18 2.07 -1.17 -3.47 116.25 114.29 1p31 h VAL 242 Ca 0.00 -1.31 -0.27 0.00 0.82 0.00 0.00 66.70 65.94 1p31 h VAL 242 Cb 0.47 1.96 -0.10 0.00 -1.52 0.00 0.00 31.29 32.10 1p31 h VAL 242 CO 0.00 0.38 -0.26 0.61 0.02 0.00 0.00 177.57 178.32 1p31 n GLY 243 N 0.24 1.25 3.14 2.17 0.00 -1.26 -4.67 105.19 106.05 1p31 n GLY 243 Ca -0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1p31 n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p31 s ARG 244 N -3.28 0.76 0.24 1.61 1.81 -1.26 -4.98 118.95 113.84 1p31 s ARG 244 Ca 0.00 -1.30 -0.31 0.00 -1.72 0.00 0.00 55.73 52.39 1p31 s ARG 244 Cb 0.00 0.01 -0.13 0.00 -0.45 0.00 0.00 34.95 34.38 1p31 s ARG 244 CO 0.00 -0.08 1.56 0.94 -0.68 0.00 0.00 175.30 177.04 1p31 n GLN 245 N 0.01 2.41 -4.85 3.54 7.27 -1.24 -4.85 117.38 119.67 1p31 n GLN 245 Ca -0.12 0.86 -0.32 0.00 0.07 0.00 0.00 57.00 57.49 1p31 n GLN 245 Cb 0.61 -2.61 -0.17 0.00 2.41 0.00 0.00 30.24 30.48 1p31 n GLN 245 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1p31 s VAL 246 N 0.37 2.07 -0.12 1.69 1.01 -1.26 -1.01 120.40 123.15 1p31 s VAL 246 Ca 0.70 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1p31 s VAL 246 Cb -0.58 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1p31 s VAL 246 CO 0.44 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 175.35 1p31 s ILE 247 N 0.66 3.28 0.20 2.22 -1.09 0.41 -4.98 121.20 121.90 1p31 s ILE 247 Ca -0.11 -0.60 0.07 0.00 -2.23 0.00 0.00 60.65 57.79 1p31 s ILE 247 Cb -0.16 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1p31 s ILE 247 CO 0.02 0.54 0.05 0.42 -1.23 0.00 0.00 174.94 174.73 1p31 s THR 248 N 0.06 3.89 0.04 2.92 -4.23 -1.26 -4.11 115.64 112.95 1p31 s THR 248 Ca -0.04 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1p31 s THR 248 Cb -0.14 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1p31 s THR 248 CO 0.04 -0.20 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.18 1p31 s TYR 249 N -1.91 0.44 -5.00 3.99 1.13 -1.26 -1.19 117.35 113.55 1p31 s TYR 249 Ca 0.30 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 1p31 s TYR 249 Cb -0.09 -0.32 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1p31 s TYR 249 CO 0.20 -0.33 0.00 0.41 -2.51 0.00 0.00 175.55 173.33 1p31 n GLY 250 N 0.55 0.80 0.17 5.49 0.00 -0.45 0.49 105.19 112.23 1p31 n GLY 250 Ca -0.17 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.08 1p31 n GLY 250 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p31 h PHE 251 N 0.00 0.00 -2.40 1.61 0.04 -1.87 0.27 116.94 114.59 1p31 h PHE 251 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1p31 h PHE 251 Cb 0.00 0.00 0.08 0.00 2.20 0.00 0.00 35.95 38.23 1p31 h PHE 251 CO 0.00 0.30 0.45 0.45 -0.60 0.00 0.00 178.31 178.90 1p31 n SER 252 N -3.17 2.12 0.32 2.17 2.88 -1.26 -4.69 113.62 112.00 1p31 n SER 252 Ca 0.03 1.15 0.20 0.00 -1.33 0.00 0.00 58.87 58.91 1p31 n SER 252 Cb 0.65 -1.34 1.10 0.00 -0.75 0.00 0.00 64.21 63.87 1p31 n SER 252 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1p31 h GLU 253 N 3.70 0.00 -0.01 -1.46 4.39 -1.96 -0.79 114.58 118.45 1p31 h GLU 253 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1p31 h GLU 253 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1p31 h GLU 253 CO 0.72 0.00 -0.03 1.04 -1.16 0.00 0.00 179.01 179.58 1p31 n GLN 254 N -3.39 1.38 -2.15 2.33 6.02 -1.26 -4.95 117.38 115.35 1p31 n GLN 254 Ca -0.03 -0.67 -0.41 0.00 -0.01 0.00 0.00 57.00 55.88 1p31 n GLN 254 Cb 0.08 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 1p31 n GLN 254 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p31 s ALA 255 N -2.08 3.50 0.14 -1.58 0.00 -0.30 -4.94 121.76 116.49 1p31 s ALA 255 Ca 0.38 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 1p31 s ALA 255 Cb 0.21 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1p31 s ALA 255 CO 0.37 -0.59 1.59 -0.44 0.00 0.00 0.00 175.76 176.69 1p31 h ASP 256 N 3.68 0.75 -3.43 0.00 3.32 -1.71 -3.34 116.42 115.69 1p31 h ASP 256 Ca -0.48 -0.30 -0.71 0.00 0.02 0.00 0.00 57.03 55.56 1p31 h ASP 256 Cb 1.22 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.26 1p31 h ASP 256 CO 0.67 0.87 -0.49 -0.31 -1.72 0.00 0.00 179.24 178.26 1p31 s TYR 257 N -5.05 3.47 -0.16 4.55 2.02 -0.33 -2.27 117.35 119.58 1p31 s TYR 257 Ca -0.13 -2.04 -0.08 0.00 -0.37 0.00 0.00 57.07 54.45 1p31 s TYR 257 Cb 0.11 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1p31 s TYR 257 CO 0.80 -0.95 0.11 0.50 -1.57 0.00 0.00 175.55 174.44 1p31 s ARG 258 N 1.27 3.83 -0.11 -0.62 3.52 0.04 -1.35 118.95 125.54 1p31 s ARG 258 Ca 0.06 -0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.27 1p31 s ARG 258 Cb -0.24 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1p31 s ARG 258 CO -0.02 0.47 0.39 0.42 -0.81 0.00 0.00 175.30 175.76 1p31 s ILE 259 N -0.15 5.20 0.09 4.11 1.01 0.94 -0.14 121.20 132.26 1p31 s ILE 259 Ca 0.09 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.54 1p31 s ILE 259 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1p31 s ILE 259 CO 0.01 0.41 -0.07 -1.61 0.00 0.00 0.00 174.94 173.68 1p31 s GLU 260 N 0.16 0.77 -1.36 2.79 2.02 0.80 -4.52 118.70 119.36 1p31 s GLU 260 Ca 0.22 -1.22 -0.06 0.00 0.02 0.00 0.00 54.97 53.93 1p31 s GLU 260 Cb -0.15 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.86 1p31 s GLU 260 CO 0.09 -0.00 0.78 -0.25 0.02 0.00 0.00 175.26 175.89 1p31 n ASP 261 N 0.27 -5.90 -4.73 -0.19 8.00 -1.26 -0.90 116.55 111.84 1p31 n ASP 261 Ca -0.14 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 1p31 n ASP 261 Cb 0.59 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 37.02 1p31 n ASP 261 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1p31 s TYR 262 N -3.20 3.29 -0.00 1.24 6.14 -1.26 -4.37 117.35 119.20 1p31 s TYR 262 Ca 0.39 1.18 0.00 0.00 0.64 0.00 0.00 57.07 59.28 1p31 s TYR 262 Cb -0.17 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 38.63 1p31 s TYR 262 CO 0.48 -1.87 -0.00 -1.21 0.64 0.00 0.00 175.55 173.58 1p31 s GLU 263 N 0.36 0.03 -0.18 4.97 0.41 0.44 -4.99 118.70 119.73 1p31 s GLU 263 Ca 0.59 0.00 -0.08 0.00 -0.41 0.00 0.00 54.97 55.07 1p31 s GLU 263 Cb -0.35 -0.05 -0.04 0.00 -1.78 0.00 0.00 34.13 31.90 1p31 s GLU 263 CO 0.35 -0.01 0.08 -1.14 -0.49 0.00 0.00 175.26 174.05 1p31 s GLN 264 N 0.08 4.00 -0.14 1.61 0.74 -1.26 -0.33 119.66 124.36 1p31 s GLN 264 Ca -0.01 -0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.09 1p31 s GLN 264 Cb -0.01 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.87 1p31 s GLN 264 CO -0.00 0.30 -0.09 0.99 -0.55 0.00 0.00 175.29 175.94 1p31 s THR 265 N 0.31 1.23 0.00 -0.34 2.01 -0.02 -4.88 115.64 113.94 1p31 s THR 265 Ca 0.05 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1p31 s THR 265 Cb -0.12 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1p31 s THR 265 CO -0.00 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1p31 n GLY 266 N 4.87 3.44 1.35 4.40 0.00 -1.26 -1.71 105.19 116.28 1p31 n GLY 266 Ca -0.14 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.89 1p31 n GLY 266 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p31 n PHE 267 N 14.00 1.52 -4.21 1.61 0.99 -1.26 -3.83 117.46 126.28 1p31 n PHE 267 Ca 0.00 -1.13 -0.30 0.00 -0.00 0.00 0.00 57.45 56.01 1p31 n PHE 267 Cb 0.00 -0.48 -0.09 0.00 -1.00 0.00 0.00 39.48 37.91 1p31 n PHE 267 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1p31 s GLN 268 N -2.97 2.47 -0.01 -1.08 -0.21 -0.69 -1.36 119.66 115.80 1p31 s GLN 268 Ca 0.48 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 1p31 s GLN 268 Cb 0.39 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1p31 s GLN 268 CO 0.09 0.55 0.09 0.20 -2.12 0.00 0.00 175.29 174.09 1p31 s GLY 269 N -2.12 2.02 -0.07 3.09 0.00 0.53 -0.84 107.32 109.94 1p31 s GLY 269 Ca 0.23 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1p31 s GLY 269 CO 0.15 -0.71 -0.10 0.30 0.00 0.00 0.00 173.10 172.74 1p31 s HIS 270 N -1.18 1.34 0.25 1.90 3.76 0.55 -0.16 115.29 121.75 1p31 s HIS 270 Ca 0.22 -0.52 -0.21 0.00 -0.15 0.00 0.00 55.06 54.40 1p31 s HIS 270 Cb -0.12 -1.03 0.05 0.00 1.11 0.00 0.00 32.58 32.58 1p31 s HIS 270 CO 0.13 -0.31 0.84 1.52 -0.85 0.00 0.00 174.74 176.07 1p31 s TYR 271 N 0.92 -0.08 -0.03 1.40 1.13 -0.80 -0.42 117.35 119.47 1p31 s TYR 271 Ca -0.10 -0.37 0.05 0.00 -1.41 0.00 0.00 57.07 55.24 1p31 s TYR 271 Cb -0.15 0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 41.40 1p31 s TYR 271 CO 0.01 -1.14 -0.18 0.99 -2.51 0.00 0.00 175.55 172.72 1p31 s THR 272 N -3.22 2.77 -0.16 -3.49 2.01 -0.08 0.02 115.64 113.49 1p31 s THR 272 Ca 0.13 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1p31 s THR 272 Cb -0.04 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1p31 s THR 272 CO 0.06 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 1p31 s VAL 273 N -0.73 3.58 -0.27 3.82 1.01 0.23 -0.14 120.40 127.90 1p31 s VAL 273 Ca 0.12 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1p31 s VAL 273 Cb -0.10 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1p31 s VAL 273 CO 0.01 0.49 0.14 -0.63 0.00 0.00 0.00 175.10 175.10 1p31 s ILE 274 N 0.57 4.86 0.71 2.22 1.09 0.80 -0.97 121.20 130.48 1p31 s ILE 274 Ca -0.04 0.01 -0.08 0.00 -1.10 0.00 0.00 60.65 59.44 1p31 s ILE 274 Cb -0.15 -3.30 0.05 0.00 -1.06 0.00 0.00 42.46 38.01 1p31 s ILE 274 CO 0.03 0.29 1.04 0.00 -0.10 0.00 0.00 174.94 176.20 1p31 h PRO 276 N -0.64 0.31 -0.69 0.00 0.11 -1.79 0.13 132.00 129.44 1p31 h PRO 276 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p31 h PRO 276 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p31 h PRO 276 CO 0.62 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 1p31 n ASN 277 N -4.45 3.79 -0.36 -2.05 6.94 -1.26 -4.90 115.26 112.97 1p31 n ASN 277 Ca 0.13 -2.50 -0.05 0.00 -0.02 0.00 0.00 54.58 52.15 1p31 n ASN 277 Cb 0.54 -0.57 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 1p31 n ASN 277 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1p31 n ASN 278 N 0.49 -4.84 -4.72 0.53 3.02 0.44 -4.99 115.26 105.20 1p31 n ASN 278 Ca 0.18 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 1p31 n ASN 278 Cb 0.78 -2.75 -0.03 0.00 -0.61 0.00 0.00 39.78 37.17 1p31 n ASN 278 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1p31 s GLU 279 N -1.94 4.19 -0.20 3.52 2.12 -1.26 -4.70 118.70 120.43 1p31 s GLU 279 Ca 0.00 2.44 -0.12 0.00 0.36 0.00 0.00 54.97 57.65 1p31 s GLU 279 Cb 0.00 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1p31 s GLU 279 CO 0.00 -0.67 0.21 1.03 -0.54 0.00 0.00 175.26 175.29 1p31 s ARG 280 N 1.32 4.17 -0.16 4.30 0.52 -1.26 -0.97 118.95 126.87 1p31 s ARG 280 Ca 0.72 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 1p31 s ARG 280 Cb -0.45 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.57 1p31 s ARG 280 CO 0.32 0.17 -0.15 0.42 0.02 0.00 0.00 175.30 176.08 1p31 s ILE 281 N 0.71 1.68 -0.29 1.52 1.01 -0.14 -4.98 121.20 120.71 1p31 s ILE 281 Ca 0.11 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 1p31 s ILE 281 Cb -0.13 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1p31 s ILE 281 CO 0.02 0.44 0.63 0.20 0.00 0.00 0.00 174.94 176.23 1p31 s ASN 282 N 1.44 6.52 -0.12 3.58 0.01 -1.26 -0.60 114.94 124.51 1p31 s ASN 282 Ca 0.04 0.53 -0.03 0.00 -0.71 0.00 0.00 52.86 52.69 1p31 s ASN 282 Cb -0.13 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1p31 s ASN 282 CO -0.11 -0.43 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.36 1p31 s VAL 283 N 2.56 4.27 -0.24 1.60 1.01 0.10 -5.00 120.40 124.71 1p31 s VAL 283 Ca 0.25 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1p31 s VAL 283 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1p31 s VAL 283 CO 0.10 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 175.58 1p31 s LEU 284 N -0.33 3.33 -0.17 3.92 0.20 -1.26 -1.91 118.68 122.47 1p31 s LEU 284 Ca 0.07 -0.24 -0.03 0.00 0.69 0.00 0.00 54.13 54.62 1p31 s LEU 284 Cb -0.12 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1p31 s LEU 284 CO 0.02 -0.02 -0.07 -0.22 -0.29 0.00 0.00 176.35 175.77 1p31 s LEU 285 N 1.53 2.97 -0.02 -0.68 2.96 0.77 -2.57 118.68 123.65 1p31 s LEU 285 Ca 0.06 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1p31 s LEU 285 Cb -0.15 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.90 1p31 s LEU 285 CO 0.02 0.11 0.63 -3.20 -1.32 0.00 0.00 176.35 172.60 1p31 n ASN 286 N 3.90 1.37 -4.08 3.68 5.15 -0.24 -0.34 115.26 124.71 1p31 n ASN 286 Ca -0.18 -2.08 -0.12 0.00 -0.60 0.00 0.00 54.58 51.61 1p31 n ASN 286 Cb 0.52 -0.49 -0.11 0.00 -0.53 0.00 0.00 39.78 39.17 1p31 n ASN 286 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1p31 s VAL 287 N -1.20 0.51 0.60 3.44 -7.23 -1.23 -4.79 120.40 110.50 1p31 s VAL 287 Ca 0.05 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1p31 s VAL 287 Cb 0.04 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1p31 s VAL 287 CO 0.01 -0.53 0.97 -2.16 -0.31 0.00 0.00 175.10 173.08 1p31 s PRO 288 N -2.16 3.40 0.00 4.82 0.04 -0.46 -3.18 135.00 137.45 1p31 s PRO 288 Ca -0.05 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1p31 s PRO 288 Cb -0.06 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1p31 s PRO 288 CO -0.01 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1p31 n GLY 289 N -2.65 1.31 0.27 0.56 0.00 -1.26 -4.19 105.19 99.23 1p31 n GLY 289 Ca 0.05 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.53 1p31 n GLY 289 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p31 h LYS 290 N 0.00 0.38 -0.73 1.61 1.57 -1.97 -2.14 116.57 115.30 1p31 h LYS 290 Ca 0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1p31 h LYS 290 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1p31 h LYS 290 CO 0.00 0.38 0.48 1.12 -0.57 0.00 0.00 179.45 180.86 1p31 h HIS 291 N 0.38 0.88 0.01 -1.35 2.07 -1.98 -0.57 115.15 114.59 1p31 h HIS 291 Ca 0.09 0.02 -0.19 0.00 -2.85 0.00 0.00 60.37 57.44 1p31 h HIS 291 Cb 0.19 -0.30 -0.02 0.00 2.57 0.00 0.00 27.41 29.85 1p31 h HIS 291 CO 0.00 0.53 -0.88 -0.91 -3.07 0.00 0.00 177.93 173.60 1p31 h ASN 292 N 0.93 0.06 -0.73 3.10 2.35 -1.58 -2.09 115.58 117.62 1p31 h ASN 292 Ca 0.28 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 1p31 h ASN 292 Cb -0.02 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1p31 h ASN 292 CO -0.07 0.91 0.44 0.00 -1.65 0.00 0.00 177.43 177.06 1p31 h ALA 293 N 1.08 0.97 0.24 -0.83 0.00 -0.77 0.18 119.26 120.14 1p31 h ALA 293 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p31 h ALA 293 Cb 1.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1p31 h ALA 293 CO 0.12 0.19 -0.11 -0.07 0.00 0.00 0.00 179.25 179.38 1p31 h LEU 294 N 0.85 -0.27 -0.76 0.00 3.38 -1.01 -0.44 115.31 117.06 1p31 h LEU 294 Ca 0.31 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.38 1p31 h LEU 294 Cb 0.09 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1p31 h LEU 294 CO -0.14 -0.19 0.40 0.78 0.09 0.00 0.00 178.44 179.38 1p31 h ASN 295 N -0.32 0.53 0.94 -0.43 2.35 -1.13 -0.22 115.58 117.31 1p31 h ASN 295 Ca -0.03 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1p31 h ASN 295 Cb 0.25 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1p31 h ASN 295 CO 0.05 0.29 -0.21 0.00 -1.65 0.00 0.00 177.43 175.92 1p31 h ALA 296 N 1.45 1.02 0.04 -0.83 0.00 -0.47 -2.00 119.26 118.47 1p31 h ALA 296 Ca 0.38 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 1p31 h ALA 296 Cb 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1p31 h ALA 296 CO -0.27 0.27 -1.38 1.15 0.00 0.00 0.00 179.25 179.01 1p31 h THR 297 N 0.00 1.28 -0.38 0.00 2.02 -0.10 0.15 112.91 115.87 1p31 h THR 297 Ca -0.00 -3.01 0.04 0.00 0.77 0.00 0.00 66.41 64.21 1p31 h THR 297 Cb 0.74 2.70 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 1p31 h THR 297 CO 0.03 0.79 0.15 0.00 0.37 0.00 0.00 175.52 176.86 1p31 h ALA 298 N 0.82 0.45 -0.36 6.16 0.00 -0.95 0.68 119.26 126.06 1p31 h ALA 298 Ca -0.17 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1p31 h ALA 298 Cb 1.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1p31 h ALA 298 CO 0.13 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.21 1p31 h ALA 299 N 1.23 0.47 -0.78 0.00 0.00 -1.28 -1.25 119.26 117.65 1p31 h ALA 299 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1p31 h ALA 299 Cb 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1p31 h ALA 299 CO -0.15 0.17 0.37 1.25 0.00 0.00 0.00 179.25 180.89 1p31 h LEU 300 N 0.43 1.03 -0.24 0.00 6.46 -0.60 -1.56 115.31 120.84 1p31 h LEU 300 Ca 0.11 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1p31 h LEU 300 Cb 0.35 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1p31 h LEU 300 CO 0.01 0.88 0.12 0.00 -0.62 0.00 0.00 178.44 178.83 1p31 h ALA 301 N 1.19 0.31 -0.25 1.25 0.00 -0.62 0.17 119.26 121.31 1p31 h ALA 301 Ca 0.27 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1p31 h ALA 301 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1p31 h ALA 301 CO -0.03 -0.14 0.01 0.28 0.00 0.00 0.00 179.25 179.37 1p31 h VAL 302 N 0.26 0.84 -0.44 0.00 2.07 -1.04 -0.11 116.25 117.83 1p31 h VAL 302 Ca 0.08 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1p31 h VAL 302 Cb 0.10 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1p31 h VAL 302 CO -0.01 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.79 1p31 h ALA 303 N 1.20 0.57 -0.57 1.67 0.00 -1.02 -1.37 119.26 119.74 1p31 h ALA 303 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p31 h ALA 303 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1p31 h ALA 303 CO -0.19 0.14 0.22 0.87 0.00 0.00 0.00 179.25 180.30 1p31 h LYS 304 N 0.57 0.86 0.00 0.00 1.79 -0.41 -0.62 116.57 118.75 1p31 h LYS 304 Ca 0.15 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1p31 h LYS 304 Cb 0.14 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1p31 h LYS 304 CO -0.02 0.75 -0.16 0.93 -1.08 0.00 0.00 179.45 179.87 1p31 h GLU 305 N 0.79 0.00 0.00 3.15 4.39 -0.83 -1.14 114.58 120.94 1p31 h GLU 305 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1p31 h GLU 305 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1p31 h GLU 305 CO -0.01 0.16 -0.22 -1.91 -1.16 0.00 0.00 179.01 175.86 1p31 n GLU 306 N -3.58 0.25 -0.17 2.33 4.07 -0.53 -4.95 120.64 118.07 1p31 n GLU 306 Ca -0.01 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 1p31 n GLU 306 Cb 0.29 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 1p31 n GLU 306 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p31 n GLY 307 N 1.33 0.91 3.76 8.31 0.00 -0.43 -5.07 105.19 114.01 1p31 n GLY 307 Ca 0.05 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1p31 n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p31 s ILE 308 N -2.00 3.06 0.50 -0.61 1.01 -0.34 -4.99 121.20 117.83 1p31 s ILE 308 Ca 0.00 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.50 1p31 s ILE 308 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 1p31 s ILE 308 CO 0.00 0.25 1.15 0.00 0.00 0.00 0.00 174.94 176.34 1p31 s ALA 309 N -1.16 2.85 0.35 9.38 0.00 -1.26 -4.53 121.76 127.39 1p31 s ALA 309 Ca 0.47 0.88 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1p31 s ALA 309 Cb -0.36 -3.37 0.84 0.00 0.00 0.00 0.00 23.12 20.23 1p31 s ALA 309 CO 0.48 -0.69 1.84 -0.91 0.00 0.00 0.00 175.76 176.47 1p31 h ASN 310 N 1.66 0.65 -0.27 0.00 2.35 -1.99 -2.51 115.58 115.48 1p31 h ASN 310 Ca -0.50 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.37 1p31 h ASN 310 Cb 1.25 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.49 1p31 h ASN 310 CO 0.59 0.29 -0.17 -0.08 -1.65 0.00 0.00 177.43 176.40 1p31 h GLU 311 N 0.66 -0.14 -0.50 0.81 4.81 -1.99 0.86 114.58 119.09 1p31 h GLU 311 Ca 0.49 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.70 1p31 h GLU 311 Cb 0.86 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1p31 h GLU 311 CO -0.25 -0.10 0.20 0.00 -0.73 0.00 0.00 179.01 178.13 1p31 h ALA 312 N 1.02 0.65 -0.22 2.92 0.00 -1.78 -1.08 119.26 120.77 1p31 h ALA 312 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1p31 h ALA 312 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1p31 h ALA 312 CO -0.36 0.26 0.08 0.82 0.00 0.00 0.00 179.25 180.06 1p31 h ILE 313 N 0.67 1.17 -0.40 0.00 2.04 -1.25 -2.06 117.51 117.68 1p31 h ILE 313 Ca 0.17 -0.53 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 1p31 h ILE 313 Cb 0.20 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1p31 h ILE 313 CO -0.01 0.17 -0.26 -0.07 0.00 0.00 0.00 178.15 177.98 1p31 h LEU 314 N 0.19 0.92 -0.49 1.44 3.38 -0.73 -1.86 115.31 118.17 1p31 h LEU 314 Ca 0.07 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1p31 h LEU 314 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1p31 h LEU 314 CO -0.01 1.15 0.27 -0.33 0.09 0.00 0.00 178.44 179.61 1p31 h GLU 315 N 0.69 0.68 -0.53 1.13 5.08 -1.16 -0.44 114.58 120.03 1p31 h GLU 315 Ca 0.08 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1p31 h GLU 315 Cb 0.84 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1p31 h GLU 315 CO 0.07 0.53 0.16 0.00 -1.00 0.00 0.00 179.01 178.78 1p31 h ALA 316 N 1.11 0.69 -0.16 3.43 0.00 -1.24 -1.75 119.26 121.35 1p31 h ALA 316 Ca 0.17 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1p31 h ALA 316 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1p31 h ALA 316 CO -0.03 0.35 -0.57 -0.07 0.00 0.00 0.00 179.25 178.94 1p31 h LEU 317 N 0.72 0.56 -1.09 0.00 3.38 -1.18 -0.74 115.31 116.96 1p31 h LEU 317 Ca 0.17 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1p31 h LEU 317 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p31 h LEU 317 CO -0.00 1.01 -0.44 0.00 0.09 0.00 0.00 178.44 179.09 1p31 h ALA 318 N 1.00 1.25 -0.13 1.53 0.00 -0.80 -0.59 119.26 121.52 1p31 h ALA 318 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1p31 h ALA 318 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1p31 h ALA 318 CO 0.10 0.56 0.00 -0.25 0.00 0.00 0.00 179.25 179.66 1p31 n ASP 319 N -4.01 3.06 -4.68 0.00 10.43 -0.67 -4.29 116.55 116.39 1p31 n ASP 319 Ca -0.02 -1.96 -0.46 0.00 2.57 0.00 0.00 54.79 54.92 1p31 n ASP 319 Cb 0.47 -0.07 -0.04 0.00 1.84 0.00 0.00 41.12 43.32 1p31 n ASP 319 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1p31 n PHE 320 N 1.33 2.37 1.18 1.24 -0.00 -0.30 -4.86 117.46 118.43 1p31 n PHE 320 Ca 0.15 0.01 0.12 0.00 -0.00 0.00 0.00 57.45 57.73 1p31 n PHE 320 Cb 0.58 -2.66 0.26 0.00 -0.00 0.00 0.00 39.48 37.67 1p31 n PHE 320 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1p31 n GLN 321 N 5.79 1.04 0.00 -4.13 1.13 -1.26 -4.65 117.38 115.31 1p31 n GLN 321 Ca 0.20 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.55 1p31 n GLN 321 Cb 0.31 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1p31 n GLN 321 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p31 n GLY 322 N 1.35 0.49 3.91 1.08 0.00 -1.26 -4.76 105.19 106.01 1p31 n GLY 322 Ca 0.12 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 1p31 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p31 s ALA 323 N -1.94 3.89 0.18 4.61 0.00 -1.26 -1.76 121.76 125.48 1p31 s ALA 323 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 51.96 50.59 1p31 s ALA 323 Cb 0.00 -1.70 -0.14 0.00 0.00 0.00 0.00 23.12 21.27 1p31 s ALA 323 CO 0.00 0.58 1.48 0.41 0.00 0.00 0.00 175.76 178.23 1p31 n GLY 324 N -0.37 0.91 2.52 0.00 0.00 0.11 -2.33 105.19 106.02 1p31 n GLY 324 Ca -0.07 0.61 -0.19 0.00 0.00 0.00 0.00 46.02 46.37 1p31 n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p31 n ARG 325 N 2.83 -1.36 -3.83 1.61 1.74 -1.26 -4.61 116.66 111.78 1p31 n ARG 325 Ca 0.15 1.13 -0.34 0.00 -0.77 0.00 0.00 57.85 58.02 1p31 n ARG 325 Cb 0.28 -5.49 -0.12 0.00 -1.02 0.00 0.00 32.46 26.12 1p31 n ARG 325 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1p31 s ARG 326 N -3.85 2.06 -1.26 5.56 1.81 -0.98 0.32 118.95 122.61 1p31 s ARG 326 Ca 0.00 -2.15 -0.21 0.00 -1.72 0.00 0.00 55.73 51.65 1p31 s ARG 326 Cb 0.00 -3.52 0.02 0.00 -0.45 0.00 0.00 34.95 30.99 1p31 s ARG 326 CO 0.00 -1.08 0.60 0.34 -0.68 0.00 0.00 175.30 174.48 1p31 n PHE 327 N 4.01 -1.58 -2.88 -0.53 -0.00 -1.23 -4.60 117.46 110.64 1p31 n PHE 327 Ca 0.03 0.36 -0.43 0.00 -0.00 0.00 0.00 57.45 57.41 1p31 n PHE 327 Cb 0.39 -3.15 -0.04 0.00 -0.00 0.00 0.00 39.48 36.68 1p31 n PHE 327 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1p31 s ASP 328 N -3.74 6.28 -0.11 -2.13 -1.08 0.60 -4.86 116.67 111.64 1p31 s ASP 328 Ca 0.36 -0.58 -0.29 0.00 -0.52 0.00 0.00 52.55 51.52 1p31 s ASP 328 Cb -0.17 -2.41 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1p31 s ASP 328 CO 0.93 -1.23 1.61 -1.10 0.52 0.00 0.00 175.17 175.89 1p31 s GLN 329 N 3.81 4.06 0.02 4.34 -1.52 -1.26 -0.42 119.66 128.69 1p31 s GLN 329 Ca 0.26 1.99 0.23 0.00 -1.95 0.00 0.00 55.36 55.89 1p31 s GLN 329 Cb -0.14 -3.98 0.01 0.00 -0.22 0.00 0.00 33.01 28.67 1p31 s GLN 329 CO 0.16 -0.98 1.00 1.28 -0.25 0.00 0.00 175.29 176.51 1p31 n LEU 330 N 7.52 0.65 0.00 2.90 4.77 0.63 -4.97 117.00 128.49 1p31 n LEU 330 Ca 0.18 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1p31 n LEU 330 Cb 0.44 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1p31 n LEU 330 CO 0.62 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1p31 n GLY 331 N 1.41 1.26 3.66 -0.72 0.00 -1.19 -4.95 105.19 104.65 1p31 n GLY 331 Ca 0.02 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1p31 n GLY 331 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p31 s GLU 332 N -1.19 2.89 -0.03 1.61 2.12 -1.26 -1.59 118.70 121.25 1p31 s GLU 332 Ca 0.00 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1p31 s GLU 332 Cb 0.00 -2.72 0.02 0.00 0.26 0.00 0.00 34.13 31.69 1p31 s GLU 332 CO 0.00 0.68 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.31 1p31 s PHE 333 N -0.89 0.58 -0.41 5.30 0.08 0.47 -4.97 117.98 118.14 1p31 s PHE 333 Ca 0.14 -0.13 -0.24 0.00 0.12 0.00 0.00 56.93 56.83 1p31 s PHE 333 Cb -0.11 -0.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 1p31 s PHE 333 CO 0.03 -0.14 0.81 0.42 -0.10 0.00 0.00 175.22 176.24 1p31 s ILE 334 N 0.74 4.65 0.30 0.64 1.01 -1.26 -0.47 121.20 126.81 1p31 s ILE 334 Ca -0.09 0.68 0.07 0.00 0.00 0.00 0.00 60.65 61.31 1p31 s ILE 334 Cb -0.12 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1p31 s ILE 334 CO -0.00 -0.62 0.26 -0.13 0.00 0.00 0.00 174.94 174.45 1p31 s ARG 335 N 3.29 2.82 0.36 2.79 1.81 -0.20 -4.98 118.95 124.84 1p31 s ARG 335 Ca 0.32 -1.19 0.13 0.00 -1.72 0.00 0.00 55.73 53.27 1p31 s ARG 335 Cb -0.12 -2.52 0.93 0.00 -0.45 0.00 0.00 34.95 32.79 1p31 s ARG 335 CO 0.21 0.22 1.80 -1.35 -0.68 0.00 0.00 175.30 175.50 1p31 h PRO 336 N 1.34 0.55 -0.44 3.54 0.11 -1.96 -2.42 132.00 132.71 1p31 h PRO 336 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p31 h PRO 336 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1p31 h PRO 336 CO 0.59 0.36 0.00 0.09 -0.21 0.00 0.00 178.00 178.83 1p31 n ASN 337 N -4.65 3.36 0.00 -2.05 3.02 -1.26 -5.03 115.26 108.64 1p31 n ASN 337 Ca 0.23 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 1p31 n ASN 337 Cb 0.69 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1p31 n ASN 337 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p31 n GLY 338 N 1.26 3.23 3.69 7.41 0.00 -0.91 -3.23 105.19 116.63 1p31 n GLY 338 Ca 0.18 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1p31 n GLY 338 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p31 s LYS 339 N -2.04 4.36 0.20 1.61 2.20 -1.26 -1.03 119.74 123.78 1p31 s LYS 339 Ca 0.00 0.89 0.08 0.00 -0.36 0.00 0.00 55.97 56.58 1p31 s LYS 339 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1p31 s LYS 339 CO 0.00 -0.12 -0.16 0.14 -0.36 0.00 0.00 175.35 174.85 1p31 s VAL 340 N 1.44 1.81 -0.12 4.02 -7.23 0.38 -0.54 120.40 120.15 1p31 s VAL 340 Ca 0.37 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1p31 s VAL 340 Cb -0.17 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 1p31 s VAL 340 CO 0.15 -0.53 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.68 1p31 s ARG 341 N -3.47 3.31 -0.13 4.82 3.52 -0.40 -0.40 118.95 126.20 1p31 s ARG 341 Ca 0.22 -0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 1p31 s ARG 341 Cb -0.02 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1p31 s ARG 341 CO 0.07 0.25 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.55 1p31 s LEU 342 N 0.26 2.92 -0.01 -0.88 2.96 -0.62 0.13 118.68 123.44 1p31 s LEU 342 Ca -0.09 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1p31 s LEU 342 Cb -0.16 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 1p31 s LEU 342 CO 0.05 0.19 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.54 1p31 s VAL 343 N 0.20 0.39 -0.11 1.68 1.01 -0.12 -0.27 120.40 123.18 1p31 s VAL 343 Ca -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1p31 s VAL 343 Cb -0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1p31 s VAL 343 CO 0.04 0.12 -0.14 -0.62 0.00 0.00 0.00 175.10 174.50 1p31 s ASP 344 N -0.06 3.94 -0.01 3.32 2.15 0.44 0.26 116.67 126.72 1p31 s ASP 344 Ca 0.01 -0.32 0.01 0.00 0.43 0.00 0.00 52.55 52.68 1p31 s ASP 344 Cb -0.03 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 41.15 1p31 s ASP 344 CO -0.00 0.20 -0.02 -0.62 -0.17 0.00 0.00 175.17 174.56 1p31 s ASP 345 N 0.15 0.28 0.44 -0.34 -1.08 0.51 -0.29 116.67 116.35 1p31 s ASP 345 Ca -0.07 -0.04 0.25 0.00 -0.52 0.00 0.00 52.55 52.17 1p31 s ASP 345 Cb -0.15 -0.06 0.69 0.00 -1.46 0.00 0.00 42.92 41.95 1p31 s ASP 345 CO 0.05 0.00 1.73 0.22 0.52 0.00 0.00 175.17 177.69 1p31 h TYR 346 N 6.30 0.00 -1.07 -5.34 5.03 -0.30 -0.36 116.97 121.23 1p31 h TYR 346 Ca -0.29 0.00 -0.81 0.00 2.58 0.00 0.00 58.73 60.21 1p31 h TYR 346 Cb 1.19 0.00 0.04 0.00 1.55 0.00 0.00 36.73 39.51 1p31 h TYR 346 CO 0.43 0.13 0.31 0.41 -1.32 0.00 0.00 178.16 178.12 1p31 n GLY 347 N 0.63 -0.04 0.00 1.82 0.00 -1.26 -3.27 105.19 103.07 1p31 n GLY 347 Ca 0.02 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1p31 n GLY 347 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1p31 n HIS 348 N 2.49 0.00 -3.55 1.61 1.44 -1.26 -3.19 115.22 112.76 1p31 n HIS 348 Ca 0.24 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.58 1p31 n HIS 348 Cb 0.05 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.10 1p31 n HIS 348 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1p31 s HIS 349 N -0.21 3.67 0.26 -1.40 5.04 -1.26 -4.83 115.29 116.56 1p31 s HIS 349 Ca 0.00 0.90 -0.02 0.00 -1.54 0.00 0.00 55.06 54.40 1p31 s HIS 349 Cb 0.00 -2.22 0.56 0.00 0.04 0.00 0.00 32.58 30.96 1p31 s HIS 349 CO 0.00 0.60 1.69 -1.35 -2.34 0.00 0.00 174.74 173.34 1p31 h PRO 350 N 4.33 0.30 -0.81 2.88 0.11 -1.93 0.14 132.00 137.03 1p31 h PRO 350 Ca -0.51 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1p31 h PRO 350 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1p31 h PRO 350 CO 0.63 0.20 0.41 0.00 -0.21 0.00 0.00 178.00 179.03 1p31 h THR 351 N 0.31 1.24 -0.11 -1.15 1.03 -1.95 -0.07 112.91 112.22 1p31 h THR 351 Ca 0.47 -0.65 -0.18 0.00 -0.01 0.00 0.00 66.41 66.03 1p31 h THR 351 Cb 0.84 0.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1p31 h THR 351 CO -0.53 0.28 -0.69 -0.33 -0.01 0.00 0.00 175.52 174.24 1p31 h GLU 352 N 1.14 0.48 -0.58 0.00 4.39 -1.48 -0.65 114.58 117.88 1p31 h GLU 352 Ca 0.28 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1p31 h GLU 352 Cb 0.08 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1p31 h GLU 352 CO -0.04 1.00 0.15 0.28 -1.16 0.00 0.00 179.01 179.24 1p31 h VAL 353 N 0.34 1.23 -0.53 3.13 2.07 -0.87 -2.01 116.25 119.61 1p31 h VAL 353 Ca -0.02 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1p31 h VAL 353 Cb 1.27 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1p31 h VAL 353 CO 0.12 0.31 0.20 1.23 0.02 0.00 0.00 177.57 179.45 1p31 h GLY 354 N 1.00 0.87 0.92 2.17 0.00 -0.60 -0.78 103.07 106.64 1p31 h GLY 354 Ca 0.19 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.05 1p31 h GLY 354 CO -0.00 0.46 0.34 -2.08 0.00 0.00 0.00 176.54 175.25 1p31 h VAL 355 N 0.72 1.09 -0.38 4.60 2.07 -0.88 -0.65 116.25 122.82 1p31 h VAL 355 Ca 0.17 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1p31 h VAL 355 Cb 0.23 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1p31 h VAL 355 CO -0.01 0.12 0.22 0.74 0.02 0.00 0.00 177.57 178.66 1p31 h THR 356 N 0.68 1.14 -0.70 2.57 2.02 -1.12 -0.71 112.91 116.79 1p31 h THR 356 Ca 0.21 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1p31 h THR 356 Cb -0.01 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1p31 h THR 356 CO -0.08 0.14 0.37 0.40 0.37 0.00 0.00 175.52 176.73 1p31 h ILE 357 N 0.49 1.22 -0.22 3.11 2.04 -0.84 -1.20 117.51 122.11 1p31 h ILE 357 Ca 0.13 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1p31 h ILE 357 Cb 0.04 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1p31 h ILE 357 CO -0.02 0.24 0.14 0.50 0.00 0.00 0.00 178.15 179.01 1p31 h LYS 358 N 0.96 0.29 -0.70 2.37 1.63 -0.82 0.81 116.57 121.11 1p31 h LYS 358 Ca 0.24 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.06 1p31 h LYS 358 Cb 0.05 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 1p31 h LYS 358 CO -0.04 0.20 0.43 0.00 -3.45 0.00 0.00 179.45 176.59 1p31 h ALA 359 N 1.08 0.91 0.28 5.00 0.00 -0.86 -0.66 119.26 125.01 1p31 h ALA 359 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1p31 h ALA 359 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1p31 h ALA 359 CO -0.02 0.21 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 1p31 h ALA 360 N 1.30 -0.37 -0.74 0.00 0.00 -0.93 -2.84 119.26 115.68 1p31 h ALA 360 Ca 0.28 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1p31 h ALA 360 Cb 0.03 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1p31 h ALA 360 CO -0.11 -0.70 0.33 0.00 0.00 0.00 0.00 179.25 178.77 1p31 h ARG 361 N -0.39 0.51 0.00 0.00 2.47 -0.44 -1.02 114.38 115.51 1p31 h ARG 361 Ca -0.04 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1p31 h ARG 361 Cb 0.30 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1p31 h ARG 361 CO 0.06 0.34 0.00 0.39 0.56 0.00 0.00 179.97 181.32 1p31 n GLU 362 N -4.93 0.04 0.00 0.04 -0.58 -0.29 -2.61 120.64 112.31 1p31 n GLU 362 Ca 0.13 0.18 0.04 0.00 -0.42 0.00 0.00 57.16 57.10 1p31 n GLU 362 Cb 0.36 -1.56 -0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1p31 n GLU 362 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p31 n GLY 363 N 0.60 -0.16 0.42 0.62 0.00 -0.62 -4.52 105.19 101.53 1p31 n GLY 363 Ca 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.85 1p31 n GLY 363 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1p31 n TRP 364 N -0.31 0.26 0.00 1.61 -0.00 -0.48 -4.44 117.44 114.07 1p31 n TRP 364 Ca 0.04 -0.39 0.00 0.00 -0.00 0.00 0.00 57.50 57.14 1p31 n TRP 364 Cb 0.18 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1p31 n TRP 364 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1p31 n GLY 365 N 0.27 3.76 1.17 5.87 0.00 -1.25 -2.13 105.19 112.88 1p31 n GLY 365 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1p31 n GLY 365 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1p31 n ASP 366 N 6.11 3.81 -4.92 1.61 5.75 -1.26 -4.98 116.55 122.67 1p31 n ASP 366 Ca 0.00 -2.12 -0.27 0.00 -0.01 0.00 0.00 54.79 52.39 1p31 n ASP 366 Cb 0.00 -0.43 0.04 0.00 -1.03 0.00 0.00 41.12 39.69 1p31 n ASP 366 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1p31 s LYS 367 N -1.22 2.82 0.29 0.11 1.02 -0.90 -5.05 119.74 116.80 1p31 s LYS 367 Ca 0.42 -0.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.16 1p31 s LYS 367 Cb 0.23 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1p31 s LYS 367 CO 0.26 -0.78 0.83 1.03 -0.92 0.00 0.00 175.35 175.77 1p31 s ARG 368 N -5.03 4.36 -0.23 1.68 0.52 -1.26 -4.93 118.95 114.05 1p31 s ARG 368 Ca 0.55 1.05 -0.07 0.00 -0.52 0.00 0.00 55.73 56.74 1p31 s ARG 368 Cb -0.11 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 1p31 s ARG 368 CO 0.45 0.29 0.06 0.42 0.02 0.00 0.00 175.30 176.55 1p31 s ILE 369 N -1.65 4.35 0.26 1.52 1.01 -1.26 -0.78 121.20 124.65 1p31 s ILE 369 Ca 0.48 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1p31 s ILE 369 Cb -0.16 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1p31 s ILE 369 CO 0.21 0.37 0.21 0.52 0.00 0.00 0.00 174.94 176.25 1p31 n VAL 370 N 4.61 0.00 -3.25 2.92 0.31 0.10 -1.07 118.33 121.95 1p31 n VAL 370 Ca -0.16 -1.01 -0.03 0.00 -0.01 0.00 0.00 64.34 63.12 1p31 n VAL 370 Cb 0.52 -0.32 -0.05 0.00 -0.91 0.00 0.00 33.84 33.08 1p31 n VAL 370 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1p31 s ILE 372 N -1.22 -0.79 -0.14 2.52 1.01 0.93 0.42 121.20 123.93 1p31 s ILE 372 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1p31 s ILE 372 Cb -0.01 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1p31 s ILE 372 CO 0.10 -0.08 -0.07 0.12 0.00 0.00 0.00 174.94 175.01 1p31 s PHE 373 N 2.69 2.94 -0.27 3.97 2.19 -0.00 0.20 117.98 129.70 1p31 s PHE 373 Ca 0.16 -0.38 0.01 0.00 0.33 0.00 0.00 56.93 57.04 1p31 s PHE 373 Cb -0.15 -1.89 0.05 0.00 -1.31 0.00 0.00 43.02 39.72 1p31 s PHE 373 CO -0.20 -0.06 -0.07 -1.14 1.83 0.00 0.00 175.22 175.59 1p31 s GLN 374 N 0.24 2.41 0.44 10.12 0.74 -0.56 -0.88 119.66 132.17 1p31 s GLN 374 Ca -0.05 -1.25 -0.25 0.00 0.05 0.00 0.00 55.36 53.86 1p31 s GLN 374 Cb -0.14 -2.99 -0.08 0.00 1.10 0.00 0.00 33.01 30.90 1p31 s GLN 374 CO 0.04 -0.55 1.31 -2.14 -0.55 0.00 0.00 175.29 173.40 1p31 s PRO 375 N 1.19 3.76 -0.25 1.67 0.02 -1.26 -4.42 135.00 135.70 1p31 s PRO 375 Ca -0.06 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 1p31 s PRO 375 Cb -0.19 -2.61 -0.00 0.00 0.02 0.00 0.00 34.50 31.71 1p31 s PRO 375 CO -0.04 -0.67 0.02 -1.58 -0.33 0.00 0.00 177.00 174.41 1p31 s HIS 376 N -1.30 3.06 0.14 6.54 2.46 -1.26 0.11 115.29 125.04 1p31 s HIS 376 Ca 0.61 -0.89 0.00 0.00 0.47 0.00 0.00 55.06 55.25 1p31 s HIS 376 Cb -0.38 -2.18 0.00 0.00 -0.13 0.00 0.00 32.58 29.89 1p31 s HIS 376 CO 0.48 -0.53 0.00 0.54 -2.47 0.00 0.00 174.74 172.76 1p31 n ARG 377 N 4.84 -1.34 -0.12 2.88 1.74 0.10 -4.52 116.66 120.24 1p31 n ARG 377 Ca -0.16 0.99 -0.12 0.00 -0.77 0.00 0.00 57.85 57.79 1p31 n ARG 377 Cb 0.50 -1.10 0.01 0.00 -1.02 0.00 0.00 32.46 30.84 1p31 n ARG 377 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1p31 h TYR 378 N 0.58 1.08 -0.21 -1.55 0.05 -1.82 -2.78 116.97 112.32 1p31 h TYR 378 Ca 0.00 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 58.53 1p31 h TYR 378 Cb 0.00 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.46 1p31 h TYR 378 CO 0.00 1.10 -0.03 0.66 -1.05 0.00 0.00 178.16 178.85 1p31 h SER 379 N 0.77 -0.14 -0.68 3.88 4.64 -1.89 0.13 113.55 120.26 1p31 h SER 379 Ca 0.08 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1p31 h SER 379 Cb 0.88 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 1p31 h SER 379 CO 0.08 -0.04 0.17 -0.09 -0.87 0.00 0.00 176.83 176.08 1p31 h ARG 380 N 0.03 1.09 -0.59 4.77 2.43 -1.79 -0.12 114.38 120.21 1p31 h ARG 380 Ca 0.10 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1p31 h ARG 380 Cb 0.14 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1p31 h ARG 380 CO -0.20 0.96 0.26 1.15 -1.51 0.00 0.00 179.97 180.64 1p31 h THR 381 N 1.02 1.22 -0.08 0.20 2.02 -1.15 -0.67 112.91 115.48 1p31 h THR 381 Ca 0.22 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1p31 h THR 381 Cb 0.36 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1p31 h THR 381 CO 0.00 0.25 0.04 -0.09 0.37 0.00 0.00 175.52 176.09 1p31 h ARG 382 N 0.80 0.11 -0.09 6.66 2.43 -0.46 -1.52 114.38 122.31 1p31 h ARG 382 Ca 0.20 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1p31 h ARG 382 Cb 0.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1p31 h ARG 382 CO -0.02 0.16 -0.46 -0.44 -1.51 0.00 0.00 179.97 177.70 1p31 h ASP 383 N 0.03 0.23 -0.10 -3.80 3.32 -0.77 -3.18 116.42 112.15 1p31 h ASP 383 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1p31 h ASP 383 Cb 0.09 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1p31 h ASP 383 CO -0.00 0.66 -0.15 0.18 -1.72 0.00 0.00 179.24 178.21 1p31 n LEU 384 N -3.99 2.98 0.04 1.55 4.77 -0.28 -4.87 117.00 117.19 1p31 n LEU 384 Ca -0.02 -3.40 -0.12 0.00 -0.03 0.00 0.00 56.01 52.44 1p31 n LEU 384 Cb 0.51 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1p31 n LEU 384 CO 0.42 0.98 0.63 0.15 -1.33 0.00 0.00 177.39 178.24 1p31 h PHE 385 N 0.72 -0.98 -0.83 -1.77 3.04 -1.25 -0.45 116.94 115.42 1p31 h PHE 385 Ca 0.03 0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.06 1p31 h PHE 385 Cb 1.18 0.44 -0.05 0.00 2.56 0.00 0.00 35.95 40.07 1p31 h PHE 385 CO 0.45 -0.43 0.53 -0.44 -2.02 0.00 0.00 178.31 176.39 1p31 h ASP 386 N -0.47 0.85 -0.85 0.41 3.32 -1.88 -0.61 116.42 117.20 1p31 h ASP 386 Ca 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1p31 h ASP 386 Cb 0.58 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1p31 h ASP 386 CO -0.32 0.57 0.41 0.44 -1.72 0.00 0.00 179.24 178.63 1p31 h ASP 387 N 1.00 1.10 -0.49 6.45 3.32 -1.73 -1.27 116.42 124.80 1p31 h ASP 387 Ca 0.34 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1p31 h ASP 387 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1p31 h ASP 387 CO -0.14 0.92 0.29 -0.26 -1.72 0.00 0.00 179.24 178.34 1p31 h PHE 388 N 1.21 0.65 -0.48 4.55 0.04 -0.16 -1.61 116.94 121.14 1p31 h PHE 388 Ca 0.29 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.11 1p31 h PHE 388 Cb 0.11 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1p31 h PHE 388 CO 0.01 0.45 0.20 0.28 -0.60 0.00 0.00 178.31 178.65 1p31 h VAL 389 N 0.65 0.88 -0.12 -0.55 2.07 -0.65 -0.69 116.25 117.84 1p31 h VAL 389 Ca 0.17 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1p31 h VAL 389 Cb -0.00 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1p31 h VAL 389 CO -0.03 0.07 -0.02 1.56 0.02 0.00 0.00 177.57 179.17 1p31 h GLN 390 N 0.39 0.23 -0.19 1.57 1.08 -1.10 -2.60 115.11 114.49 1p31 h GLN 390 Ca 0.22 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 57.19 1p31 h GLN 390 Cb 0.20 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1p31 h GLN 390 CO -0.20 0.50 -0.48 0.28 -0.95 0.00 0.00 178.83 177.98 1p31 h VAL 391 N -0.07 1.32 0.00 -0.54 2.07 -1.14 -2.92 116.25 114.97 1p31 h VAL 391 Ca 0.03 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1p31 h VAL 391 Cb 0.41 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1p31 h VAL 391 CO 0.01 0.53 -0.04 -0.07 0.02 0.00 0.00 177.57 178.02 1p31 h LEU 392 N 0.36 0.00 0.00 2.57 3.38 -1.21 -2.11 115.31 118.31 1p31 h LEU 392 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p31 h LEU 392 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1p31 h LEU 392 CO 0.10 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.48 1p31 n SER 393 N -3.25 0.00 0.17 -0.43 7.64 -0.98 -3.41 113.62 113.36 1p31 n SER 393 Ca -0.01 -0.30 0.12 0.00 1.01 0.00 0.00 58.87 59.68 1p31 n SER 393 Cb 0.22 -0.23 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 1p31 n SER 393 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1p31 h GLN 394 N 0.00 0.00 -7.45 1.43 4.20 -1.45 -3.40 115.11 108.43 1p31 h GLN 394 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1p31 h GLN 394 Cb 0.22 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.08 1p31 h GLN 394 CO 0.00 0.00 0.39 0.14 -0.67 0.00 0.00 178.83 178.69 1p31 s VAL 395 N -3.21 3.39 0.03 -0.54 -7.23 -1.22 -5.00 120.40 106.61 1p31 s VAL 395 Ca 0.06 0.40 0.04 0.00 -1.81 0.00 0.00 61.98 60.68 1p31 s VAL 395 Cb 0.07 -3.44 -0.24 0.00 0.56 0.00 0.00 36.38 33.33 1p31 s VAL 395 CO 0.68 -0.57 0.94 0.44 -0.31 0.00 0.00 175.10 176.29 1p31 h ASP 396 N -0.64 0.16 -4.08 4.85 3.32 -1.45 -3.45 116.42 115.13 1p31 h ASP 396 Ca -0.45 -0.22 -0.18 0.00 0.02 0.00 0.00 57.03 56.20 1p31 h ASP 396 Cb 1.26 -0.05 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 1p31 h ASP 396 CO 0.64 1.18 -0.56 0.00 -1.72 0.00 0.00 179.24 178.78 1p31 s ALA 397 N -2.64 -0.30 -0.07 3.45 0.00 -1.11 -4.91 121.76 116.18 1p31 s ALA 397 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1p31 s ALA 397 Cb 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1p31 s ALA 397 CO 0.83 -0.10 -0.05 -1.17 0.00 0.00 0.00 175.76 175.28 1p31 s LEU 398 N -0.30 1.10 0.00 0.00 2.96 -1.26 -4.32 118.68 116.85 1p31 s LEU 398 Ca -0.04 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1p31 s LEU 398 Cb -0.03 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 46.09 1p31 s LEU 398 CO 0.00 -0.10 0.06 -0.38 -1.32 0.00 0.00 176.35 174.61 1p31 n ILE 399 N 4.57 0.00 -3.61 6.68 5.41 -1.26 -0.94 119.36 130.21 1p31 n ILE 399 Ca -0.16 -0.29 -0.11 0.00 1.00 0.00 0.00 62.75 63.19 1p31 n ILE 399 Cb 0.50 -0.47 -0.05 0.00 -0.71 0.00 0.00 39.64 38.92 1p31 n ILE 399 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1p31 s LEU 401 N 0.00 0.29 0.68 1.39 1.43 -0.05 -0.82 118.68 121.59 1p31 s LEU 401 Ca 0.04 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 1p31 s LEU 401 Cb -0.00 1.91 0.01 0.00 0.03 0.00 0.00 46.19 48.14 1p31 s LEU 401 CO 0.03 -0.83 1.23 -1.81 0.23 0.00 0.00 176.35 175.20 1p31 s ASP 402 N -2.63 4.49 0.17 2.29 1.01 -1.26 -4.42 116.67 116.32 1p31 s ASP 402 Ca 0.01 2.43 -0.33 0.00 0.71 0.00 0.00 52.55 55.36 1p31 s ASP 402 Cb 0.01 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.20 1p31 s ASP 402 CO -0.10 -2.07 1.40 0.52 0.21 0.00 0.00 175.17 175.13 1p31 n VAL 403 N -2.31 0.46 -2.68 -1.27 0.31 -1.26 -4.52 118.33 107.06 1p31 n VAL 403 Ca 0.14 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1p31 n VAL 403 Cb 0.50 -1.24 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 1p31 n VAL 403 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1p31 s TYR 404 N 0.31 2.63 0.36 3.52 6.14 0.12 -4.91 117.35 125.52 1p31 s TYR 404 Ca 0.76 0.13 0.06 0.00 0.64 0.00 0.00 57.07 58.66 1p31 s TYR 404 Cb -0.76 -4.37 0.70 0.00 0.42 0.00 0.00 41.96 37.96 1p31 s TYR 404 CO 0.46 -1.58 1.93 0.00 0.64 0.00 0.00 175.55 176.99 1p31 h ALA 405 N 9.54 1.48 -6.75 3.97 0.00 -1.88 0.29 119.26 125.90 1p31 h ALA 405 Ca -0.26 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 53.94 1p31 h ALA 405 Cb 1.06 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.55 1p31 h ALA 405 CO 1.17 0.38 -0.89 0.00 0.00 0.00 0.00 179.25 179.91 1p31 n ALA 406 N -2.48 -1.70 0.00 0.00 0.00 -1.26 -1.90 120.51 113.17 1p31 n ALA 406 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1p31 n ALA 406 Cb 0.21 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1p31 n ALA 406 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p31 n GLY 407 N -1.84 1.81 3.78 0.00 0.00 -1.26 -5.05 105.19 102.63 1p31 n GLY 407 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1p31 n GLY 407 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p31 s GLU 408 N -0.62 4.45 0.46 1.61 2.02 -0.80 -5.04 118.70 120.78 1p31 s GLU 408 Ca 0.00 1.50 -0.23 0.00 0.02 0.00 0.00 54.97 56.26 1p31 s GLU 408 Cb 0.00 -2.80 -0.07 0.00 0.10 0.00 0.00 34.13 31.36 1p31 s GLU 408 CO 0.00 0.12 1.18 0.00 0.02 0.00 0.00 175.26 176.58 1p31 s ALA 409 N -1.52 2.97 0.43 5.21 0.00 -1.26 -4.85 121.76 122.74 1p31 s ALA 409 Ca 0.51 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 53.18 1p31 s ALA 409 Cb -0.23 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1p31 s ALA 409 CO 0.29 -0.70 1.29 -2.30 0.00 0.00 0.00 175.76 174.33 1p31 n PRO 410 N -0.50 1.94 -4.31 0.00 -0.02 -1.26 -4.85 135.00 126.00 1p31 n PRO 410 Ca 0.07 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.91 1p31 n PRO 410 Cb 0.48 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 1p31 n PRO 410 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p31 s ILE 411 N -1.20 3.66 0.22 4.25 1.01 -1.26 -5.09 121.20 122.79 1p31 s ILE 411 Ca 0.61 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 1p31 s ILE 411 Cb -0.50 -2.62 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 1p31 s ILE 411 CO 0.58 0.47 1.50 -0.69 0.00 0.00 0.00 174.94 176.80 1p31 s VAL 412 N 0.69 2.62 0.00 2.92 1.01 -1.26 -1.97 120.40 124.41 1p31 s VAL 412 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1p31 s VAL 412 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1p31 s VAL 412 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1p31 n GLY 413 N 2.84 0.88 1.10 4.51 0.00 -1.26 -4.88 105.19 108.38 1p31 n GLY 413 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1p31 n GLY 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p31 n ALA 414 N 0.29 3.49 -2.28 4.61 0.00 -0.83 -4.80 120.51 120.99 1p31 n ALA 414 Ca 0.00 -3.13 -0.24 0.00 0.00 0.00 0.00 53.44 50.08 1p31 n ALA 414 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.00 1p31 n ALA 414 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1p31 s ASP 415 N -3.03 4.80 0.28 0.00 1.47 -1.25 -4.62 116.67 114.32 1p31 s ASP 415 Ca 0.38 -1.09 -0.00 0.00 1.18 0.00 0.00 52.55 53.02 1p31 s ASP 415 Cb 0.38 0.28 0.41 0.00 -0.34 0.00 0.00 42.92 43.65 1p31 s ASP 415 CO -0.08 -1.12 1.81 0.28 0.68 0.00 0.00 175.17 176.74 1p31 h SER 416 N 0.63 0.71 -0.62 2.11 0.02 -1.94 -2.09 113.55 112.37 1p31 h SER 416 Ca -0.35 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1p31 h SER 416 Cb 1.29 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1p31 h SER 416 CO 0.53 0.75 0.34 0.11 -1.14 0.00 0.00 176.83 177.41 1p31 h LYS 417 N 0.71 0.62 -0.41 3.45 1.57 -1.96 0.67 116.57 121.21 1p31 h LYS 417 Ca 0.15 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1p31 h LYS 417 Cb 0.37 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1p31 h LYS 417 CO 0.01 0.41 0.08 0.77 -0.57 0.00 0.00 179.45 180.15 1p31 h SER 418 N 0.64 0.65 -0.53 0.86 0.02 -1.79 -1.00 113.55 112.40 1p31 h SER 418 Ca 0.27 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1p31 h SER 418 Cb 0.15 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1p31 h SER 418 CO -0.17 0.73 0.35 -0.07 -1.14 0.00 0.00 176.83 176.53 1p31 h LEU 419 N 0.54 0.60 -0.47 5.07 3.38 -1.06 -1.99 115.31 121.37 1p31 h LEU 419 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1p31 h LEU 419 Cb 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1p31 h LEU 419 CO 0.01 0.43 0.31 0.00 0.09 0.00 0.00 178.44 179.28 1p31 h ARG 421 N 0.63 0.02 -0.51 0.00 2.43 -0.94 0.42 114.38 116.43 1p31 h ARG 421 Ca 0.17 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1p31 h ARG 421 Cb -0.07 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1p31 h ARG 421 CO -0.04 0.02 -0.11 0.77 -1.51 0.00 0.00 179.97 179.10 1p31 h SER 422 N 0.03 0.98 -0.05 -3.80 0.02 -1.03 -0.61 113.55 109.10 1p31 h SER 422 Ca 0.11 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1p31 h SER 422 Cb 0.16 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1p31 h SER 422 CO -0.21 1.11 0.01 0.40 -1.14 0.00 0.00 176.83 177.00 1p31 h ILE 423 N 0.84 1.19 -0.59 3.27 2.04 -0.98 -0.74 117.51 122.54 1p31 h ILE 423 Ca 0.13 -0.58 0.12 0.00 1.00 0.00 0.00 64.86 65.54 1p31 h ILE 423 Cb 0.67 1.49 -0.10 0.00 -0.74 0.00 0.00 36.82 38.14 1p31 h ILE 423 CO 0.05 0.16 -0.01 -0.09 0.00 0.00 0.00 178.15 178.25 1p31 h ARG 424 N -0.14 0.10 0.00 2.37 2.43 -0.81 -1.73 114.38 116.59 1p31 h ARG 424 Ca 0.02 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1p31 h ARG 424 Cb 0.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1p31 h ARG 424 CO 0.00 0.07 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.23 1p31 h ASN 425 N 0.11 0.00 -0.73 -3.80 2.35 -0.90 -1.68 115.58 110.92 1p31 h ASN 425 Ca 0.30 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1p31 h ASN 425 Cb 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1p31 h ASN 425 CO -0.51 0.39 0.34 0.25 -1.65 0.00 0.00 177.43 176.25 1p31 h LEU 426 N 0.00 0.99 0.00 1.61 6.46 -0.29 -3.47 115.31 120.61 1p31 h LEU 426 Ca -0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1p31 h LEU 426 Cb 0.74 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1p31 h LEU 426 CO 0.05 0.85 0.00 0.61 -0.62 0.00 0.00 178.44 179.33 1p31 n GLY 427 N -1.02 0.75 0.14 3.75 0.00 -0.63 -4.92 105.19 103.25 1p31 n GLY 427 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1p31 n GLY 427 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p31 h LYS 428 N 3.02 0.44 -3.89 1.61 1.57 -1.84 -3.46 116.57 114.02 1p31 h LYS 428 Ca 0.00 -0.71 -0.18 0.00 -1.87 0.00 0.00 60.65 57.89 1p31 h LYS 428 Cb 0.00 0.26 -0.22 0.00 0.08 0.00 0.00 32.23 32.34 1p31 h LYS 428 CO 0.00 1.33 -0.68 0.54 -0.57 0.00 0.00 179.45 180.07 1p31 s VAL 429 N -2.71 0.09 -0.44 0.50 0.11 -1.26 -5.01 120.40 111.67 1p31 s VAL 429 Ca -0.07 -0.72 -0.09 0.00 -2.93 0.00 0.00 61.98 58.17 1p31 s VAL 429 Cb 0.06 -0.23 0.09 0.00 -1.53 0.00 0.00 36.38 34.77 1p31 s VAL 429 CO 0.92 -0.40 0.30 -0.62 -3.33 0.00 0.00 175.10 171.96 1p31 s ASP 430 N -1.18 5.67 0.51 3.54 -1.08 -1.26 -3.92 116.67 118.95 1p31 s ASP 430 Ca -0.13 -1.66 -0.19 0.00 -0.52 0.00 0.00 52.55 50.05 1p31 s ASP 430 Cb -0.08 -2.00 -0.07 0.00 -1.46 0.00 0.00 42.92 39.31 1p31 s ASP 430 CO -0.01 -0.60 1.03 -2.16 0.52 0.00 0.00 175.17 173.96 1p31 s PRO 431 N 1.40 3.73 -0.18 4.34 0.05 -1.26 -4.60 135.00 138.48 1p31 s PRO 431 Ca 0.04 1.29 -0.02 0.00 0.05 0.00 0.00 61.00 62.36 1p31 s PRO 431 Cb -0.24 -2.09 -0.01 0.00 0.05 0.00 0.00 34.50 32.21 1p31 s PRO 431 CO 0.01 -0.48 -0.09 0.42 0.05 0.00 0.00 177.00 176.91 1p31 s ILE 432 N -2.14 3.21 -0.16 0.56 1.01 -0.11 -5.01 121.20 118.56 1p31 s ILE 432 Ca 0.66 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 1p31 s ILE 432 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1p31 s ILE 432 CO 0.24 0.47 0.64 -0.22 0.00 0.00 0.00 174.94 176.08 1p31 s LEU 433 N 0.95 4.20 -0.31 2.97 2.96 -1.26 -4.25 118.68 123.94 1p31 s LEU 433 Ca -0.01 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1p31 s LEU 433 Cb -0.15 -2.94 0.07 0.00 0.50 0.00 0.00 46.19 43.68 1p31 s LEU 433 CO -0.00 -0.22 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.12 1p31 s VAL 434 N 1.53 2.52 -0.09 1.68 1.01 -1.26 -4.97 120.40 120.83 1p31 s VAL 434 Ca 0.31 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.48 1p31 s VAL 434 Cb -0.16 -2.61 -0.25 0.00 0.00 0.00 0.00 36.38 33.36 1p31 s VAL 434 CO 0.12 -0.28 0.48 -1.20 0.00 0.00 0.00 175.10 174.22 1p31 n SER 435 N 4.45 1.65 -4.36 3.32 7.64 -1.26 -4.14 113.62 120.91 1p31 n SER 435 Ca -0.08 0.29 -0.45 0.00 1.01 0.00 0.00 58.87 59.64 1p31 n SER 435 Cb 0.42 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 1p31 n SER 435 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p31 s ASP 436 N -6.68 6.28 0.00 6.43 -1.08 -1.26 -4.90 116.67 115.47 1p31 s ASP 436 Ca -0.16 -1.70 0.19 0.00 -0.52 0.00 0.00 52.55 50.36 1p31 s ASP 436 Cb 0.07 -2.28 0.96 0.00 -1.46 0.00 0.00 42.92 40.21 1p31 s ASP 436 CO 0.79 -1.00 1.56 0.35 0.52 0.00 0.00 175.17 177.40 1p31 n THR 437 N 5.30 0.39 0.30 1.71 -2.24 -1.26 -0.89 114.28 117.59 1p31 n THR 437 Ca -0.05 0.10 0.18 0.00 -2.27 0.00 0.00 64.05 62.00 1p31 n THR 437 Cb 0.43 -0.79 0.79 0.00 -2.10 0.00 0.00 70.33 68.66 1p31 n THR 437 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1p31 h SER 438 N 0.00 0.00 0.17 3.42 4.64 -1.98 -2.33 113.55 117.48 1p31 h SER 438 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p31 h SER 438 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1p31 h SER 438 CO 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.68 1p31 n GLN 439 N -2.97 0.97 -0.13 4.77 6.02 -0.07 -4.50 117.38 121.48 1p31 n GLN 439 Ca -0.00 -0.63 -0.04 0.00 -0.01 0.00 0.00 57.00 56.31 1p31 n GLN 439 Cb 0.23 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 30.05 1p31 n GLN 439 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1p31 h LEU 440 N 1.54 0.06 -1.16 1.08 5.85 -1.53 -1.20 115.31 119.95 1p31 h LEU 440 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1p31 h LEU 440 Cb 0.56 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1p31 h LEU 440 CO 0.00 0.07 0.57 1.23 -0.34 0.00 0.00 178.44 179.97 1p31 h GLY 441 N 0.25 1.24 0.76 3.75 0.00 -1.80 -0.14 103.07 107.13 1p31 h GLY 441 Ca 0.21 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1p31 h GLY 441 CO -0.25 0.39 -0.11 -0.55 0.00 0.00 0.00 176.54 176.01 1p31 h ASP 442 N 1.10 0.38 -0.51 0.19 3.32 -1.58 0.11 116.42 119.44 1p31 h ASP 442 Ca 0.34 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1p31 h ASP 442 Cb -0.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1p31 h ASP 442 CO -0.10 0.74 0.30 0.58 -1.72 0.00 0.00 179.24 179.04 1p31 h VAL 443 N 0.02 1.04 -0.16 -1.35 2.07 -0.93 -1.12 116.25 115.83 1p31 h VAL 443 Ca 0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1p31 h VAL 443 Cb 0.62 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1p31 h VAL 443 CO 0.03 0.11 0.10 -0.07 0.02 0.00 0.00 177.57 177.76 1p31 h LEU 444 N 0.59 0.18 -1.41 2.57 3.38 -0.97 -2.70 115.31 116.95 1p31 h LEU 444 Ca 0.21 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1p31 h LEU 444 Cb 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1p31 h LEU 444 CO -0.10 0.14 0.52 0.44 0.09 0.00 0.00 178.44 179.53 1p31 h ASP 445 N 0.21 0.57 -0.31 -0.43 3.45 -0.37 0.17 116.42 119.72 1p31 h ASP 445 Ca 0.06 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.43 1p31 h ASP 445 Cb -0.02 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1p31 h ASP 445 CO -0.01 0.32 -0.18 1.56 -1.57 0.00 0.00 179.24 179.36 1p31 h GLN 446 N 0.63 0.77 -0.00 3.56 4.20 -0.93 -3.30 115.11 120.03 1p31 h GLN 446 Ca 0.38 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1p31 h GLN 446 Cb 0.60 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1p31 h GLN 446 CO -0.14 0.90 -0.88 0.44 -0.67 0.00 0.00 178.83 178.48 1p31 n ILE 447 N -4.13 0.00 -1.87 2.54 -5.35 -0.51 -4.99 119.36 105.05 1p31 n ILE 447 Ca 0.01 -0.06 -0.40 0.00 -0.27 0.00 0.00 62.75 62.02 1p31 n ILE 447 Cb 0.41 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 1p31 n ILE 447 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p31 s ILE 448 N -2.79 2.19 0.17 7.28 1.01 0.50 -5.04 121.20 124.52 1p31 s ILE 448 Ca 0.08 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.01 1p31 s ILE 448 Cb 0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1p31 s ILE 448 CO 0.78 0.04 -0.18 -1.10 0.00 0.00 0.00 174.94 174.47 1p31 s GLN 449 N -2.17 1.30 0.22 2.79 -0.21 -1.26 -4.66 119.66 115.67 1p31 s GLN 449 Ca 0.55 -1.44 -0.32 0.00 0.02 0.00 0.00 55.36 54.17 1p31 s GLN 449 Cb -0.44 -1.34 -0.13 0.00 1.00 0.00 0.00 33.01 32.10 1p31 s GLN 449 CO 0.59 0.27 1.46 -3.47 -2.12 0.00 0.00 175.29 172.01 1p31 n ASP 450 N 0.18 2.90 0.00 5.90 2.03 -1.20 -2.26 116.55 124.10 1p31 n ASP 450 Ca -0.12 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1p31 n ASP 450 Cb 0.57 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1p31 n ASP 450 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p31 n GLY 451 N 2.49 0.70 3.77 0.27 0.00 0.29 -4.87 105.19 107.84 1p31 n GLY 451 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1p31 n GLY 451 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p31 s ASP 452 N -2.33 6.49 -0.25 1.61 1.01 -0.96 -4.31 116.67 117.93 1p31 s ASP 452 Ca 0.00 2.90 -0.12 0.00 0.71 0.00 0.00 52.55 56.04 1p31 s ASP 452 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1p31 s ASP 452 CO 0.00 -0.78 0.22 -0.22 0.21 0.00 0.00 175.17 174.60 1p31 s LEU 453 N -1.51 4.08 -0.32 1.23 2.96 0.04 -1.27 118.68 123.89 1p31 s LEU 453 Ca 0.55 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.50 1p31 s LEU 453 Cb -0.45 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.07 1p31 s LEU 453 CO 0.55 -0.01 0.14 -0.63 -1.32 0.00 0.00 176.35 175.08 1p31 s ILE 454 N 1.42 4.36 -0.38 6.68 1.01 0.34 0.03 121.20 134.65 1p31 s ILE 454 Ca 0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 1p31 s ILE 454 Cb -0.15 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1p31 s ILE 454 CO 0.08 -0.01 0.26 -0.22 0.00 0.00 0.00 174.94 175.04 1p31 s LEU 455 N 1.55 4.82 -0.34 2.97 1.98 0.17 -0.94 118.68 128.89 1p31 s LEU 455 Ca 0.03 -0.77 -0.23 0.00 -2.89 0.00 0.00 54.13 50.27 1p31 s LEU 455 Cb -0.18 -2.12 0.01 0.00 0.66 0.00 0.00 46.19 44.56 1p31 s LEU 455 CO 0.05 -0.37 0.78 0.00 -1.89 0.00 0.00 176.35 174.92 1p31 s ALA 456 N 1.66 3.47 -0.09 5.97 0.00 0.14 -0.05 121.76 132.86 1p31 s ALA 456 Ca 0.05 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1p31 s ALA 456 Cb -0.18 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1p31 s ALA 456 CO 0.09 -1.37 -0.16 -1.14 0.00 0.00 0.00 175.76 173.18 1p31 s GLN 457 N 3.03 2.22 0.00 0.00 2.00 0.13 -0.36 119.66 126.68 1p31 s GLN 457 Ca 0.31 -0.58 0.00 0.00 -2.00 0.00 0.00 55.36 53.09 1p31 s GLN 457 Cb -0.14 -1.78 0.00 0.00 0.80 0.00 0.00 33.01 31.89 1p31 s GLN 457 CO 0.15 0.05 0.00 0.41 -0.50 0.00 0.00 175.29 175.40 1p31 n GLY 458 N 3.83 3.08 0.03 2.59 0.00 -0.14 -1.50 105.19 113.07 1p31 n GLY 458 Ca -0.21 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.27 1p31 n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p31 n ALA 459 N -1.88 4.03 -1.79 4.61 0.00 -1.20 -4.20 120.51 120.07 1p31 n ALA 459 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1p31 n ALA 459 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1p31 n ALA 459 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p31 n GLY 460 N 1.49 1.61 0.00 0.00 0.00 -1.26 -4.94 105.19 102.09 1p31 n GLY 460 Ca 0.05 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.64 1p31 n GLY 460 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p31 n SER 461 N 0.00 0.00 -0.33 1.61 3.41 -1.26 -3.53 113.62 113.52 1p31 n SER 461 Ca 0.00 0.12 0.18 0.00 -0.26 0.00 0.00 58.87 58.91 1p31 n SER 461 Cb 0.00 -0.34 0.41 0.00 -0.26 0.00 0.00 64.21 64.02 1p31 n SER 461 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1p31 h VAL 462 N 0.00 0.60 0.05 -3.33 3.04 -1.92 0.10 116.25 114.79 1p31 h VAL 462 Ca 0.00 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1p31 h VAL 462 Cb 0.23 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1p31 h VAL 462 CO 0.00 0.11 -0.02 -1.28 -1.01 0.00 0.00 177.57 175.36 1p31 h SER 463 N 0.58 -0.05 -0.66 3.17 0.87 -1.84 0.18 113.55 115.80 1p31 h SER 463 Ca 0.60 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 61.05 1p31 h SER 463 Cb 1.19 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.12 1p31 h SER 463 CO -0.37 0.11 0.40 0.50 -0.53 0.00 0.00 176.83 176.94 1p31 h LYS 464 N -0.21 0.75 -0.74 2.24 3.64 -1.62 -0.43 116.57 120.20 1p31 h LYS 464 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1p31 h LYS 464 Cb 0.19 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1p31 h LYS 464 CO 0.01 0.50 0.47 0.82 -2.27 0.00 0.00 179.45 178.97 1p31 h ILE 465 N 0.78 1.20 -0.14 2.00 2.04 -0.60 -0.77 117.51 122.02 1p31 h ILE 465 Ca 0.27 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1p31 h ILE 465 Cb 0.06 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1p31 h ILE 465 CO -0.12 0.20 -0.44 0.77 0.00 0.00 0.00 178.15 178.56 1p31 h SER 466 N 1.00 0.34 0.47 1.72 4.64 0.02 -1.46 113.55 120.28 1p31 h SER 466 Ca 0.27 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 1p31 h SER 466 Cb -0.07 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1p31 h SER 466 CO -0.05 0.74 -0.67 0.03 -0.87 0.00 0.00 176.83 176.00 1p31 h ARG 467 N 0.26 0.18 -0.61 4.77 3.08 -0.78 0.36 114.38 121.65 1p31 h ARG 467 Ca 0.02 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1p31 h ARG 467 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1p31 h ARG 467 CO 0.07 0.79 0.10 0.78 -1.07 0.00 0.00 179.97 180.63 1p31 h GLY 468 N 1.65 1.08 0.97 0.04 0.00 -0.87 -1.02 103.07 104.93 1p31 h GLY 468 Ca -0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1p31 h GLY 468 CO 0.10 0.67 -0.15 -2.00 0.00 0.00 0.00 176.54 175.16 1p31 h LEU 469 N 0.91 -0.36 -0.39 3.11 5.85 -0.97 -1.95 115.31 121.52 1p31 h LEU 469 Ca 0.18 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1p31 h LEU 469 Cb 0.43 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1p31 h LEU 469 CO 0.01 -0.24 -0.15 0.00 -0.34 0.00 0.00 178.44 177.72 1p31 h ALA 470 N 0.33 0.18 -0.66 1.25 0.00 -0.83 -1.44 119.26 118.09 1p31 h ALA 470 Ca -0.03 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1p31 h ALA 470 Cb 0.31 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1p31 h ALA 470 CO 0.05 -0.51 0.33 1.49 0.00 0.00 0.00 179.25 180.61 1p31 h GLU 471 N -0.07 0.58 0.00 0.00 4.81 -1.08 -1.59 114.58 117.22 1p31 h GLU 471 Ca 0.19 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1p31 h GLU 471 Cb 0.36 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1p31 h GLU 471 CO -0.44 0.38 -0.39 0.66 -0.73 0.00 0.00 179.01 178.50 1p31 h SER 472 N 0.59 0.00 0.01 1.04 4.64 -0.85 -2.67 113.55 116.32 1p31 h SER 472 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1p31 h SER 472 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1p31 h SER 472 CO -0.23 0.39 -0.00 0.79 -0.87 0.00 0.00 176.83 176.90 1p31 n TRP 473 N -3.91 0.00 1.54 4.77 7.02 -0.59 -5.11 117.44 121.17 1p31 n TRP 473 Ca -0.01 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.61 1p31 n TRP 473 Cb 0.44 -0.01 0.56 0.00 -2.42 0.00 0.00 31.31 29.88 1p31 n TRP 473 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30