#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pan s LYS 3 N 0.00 4.57 0.40 0.00 -0.14 -1.26 -1.69 119.74 121.62 2pan s LYS 3 Ca 0.00 1.80 -0.18 0.00 -1.36 0.00 0.00 55.97 56.23 2pan s LYS 3 Cb 0.00 -3.24 -0.10 0.00 -1.68 0.00 0.00 37.83 32.82 2pan s LYS 3 CO 0.00 0.06 0.86 1.03 -0.76 0.00 0.00 175.35 176.54 2pan s ARG 5 N -0.67 4.09 0.24 1.68 0.52 -1.26 -4.98 118.95 118.56 2pan s ARG 5 Ca 0.49 0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 56.52 2pan s ARG 5 Cb -0.31 -2.28 0.28 0.00 0.52 0.00 0.00 34.95 33.15 2pan s ARG 5 CO 0.37 0.02 1.88 0.00 0.02 0.00 0.00 175.30 177.59 2pan h ALA 6 N 1.90 1.17 -0.07 2.13 0.00 -1.17 -1.72 119.26 121.50 2pan h ALA 6 Ca -0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2pan h ALA 6 Cb 1.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2pan h ALA 6 CO 0.63 0.41 -0.20 -0.39 0.00 0.00 0.00 179.25 179.70 2pan h VAL 7 N 1.10 1.18 -0.42 0.00 -1.51 -1.79 -1.56 116.25 113.25 2pan h VAL 7 Ca 0.36 -0.85 -0.12 0.00 -1.23 0.00 0.00 66.70 64.86 2pan h VAL 7 Cb 0.03 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2pan h VAL 7 CO -0.12 0.25 -0.20 0.44 -1.23 0.00 0.00 177.57 176.71 2pan h ASP 8 N 0.11 0.91 -0.48 4.19 3.32 -1.64 -2.82 116.42 120.01 2pan h ASP 8 Ca 0.02 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 2pan h ASP 8 Cb 0.43 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2pan h ASP 8 CO 0.03 1.11 0.20 0.00 -1.72 0.00 0.00 179.24 178.86 2pan h ALA 9 N 0.83 1.37 0.00 3.45 0.00 -1.16 -3.18 119.26 120.58 2pan h ALA 9 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pan h ALA 9 Cb 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pan h ALA 9 CO 0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2pan n ALA 10 N -2.46 1.52 0.00 0.00 0.00 -0.61 -2.08 120.51 116.88 2pan n ALA 10 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2pan n ALA 10 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2pan n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pan n TYR 12 N 1.03 0.00 0.09 0.00 4.02 -1.20 -1.10 117.16 120.00 2pan n TYR 12 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2pan n TYR 12 Cb 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.25 2pan n TYR 12 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pan h VAL 13 N 0.00 0.92 -0.95 -0.72 2.07 -1.74 -1.08 116.25 114.75 2pan h VAL 13 Ca 0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2pan h VAL 13 Cb 0.00 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 2pan h VAL 13 CO 0.00 0.03 0.62 -0.07 0.02 0.00 0.00 177.57 178.17 2pan h LEU 14 N -0.20 1.03 -0.09 2.57 3.38 -1.40 -1.39 115.31 119.20 2pan h LEU 14 Ca -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2pan h LEU 14 Cb 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2pan h LEU 14 CO 0.03 0.69 -0.04 -0.33 0.09 0.00 0.00 178.44 178.87 2pan h GLU 15 N 1.18 0.19 0.00 1.13 5.08 -1.74 -1.19 114.58 119.23 2pan h GLU 15 Ca 0.39 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2pan h GLU 15 Cb 0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2pan h GLU 15 CO -0.12 0.55 0.00 0.87 -1.00 0.00 0.00 179.01 179.31 2pan h LYS 16 N -0.18 0.00 -0.36 2.33 1.57 -0.96 -2.14 116.57 116.83 2pan h LYS 16 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2pan h LYS 16 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2pan h LYS 16 CO 0.01 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.98 2pan n GLU 17 N -2.94 2.45 0.00 3.15 4.07 -0.55 -4.94 120.64 121.88 2pan n GLU 17 Ca -0.01 -2.18 0.00 0.00 -0.06 0.00 0.00 57.16 54.91 2pan n GLU 17 Cb 0.18 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 2pan n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2pan n GLY 18 N 1.48 0.51 3.70 8.31 0.00 -0.80 -5.03 105.19 113.36 2pan n GLY 18 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2pan n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 19 N -2.00 4.35 0.00 -0.61 1.01 -0.48 -4.90 121.20 118.57 2pan s ILE 19 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2pan s ILE 19 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2pan s ILE 19 CO 0.00 0.09 0.21 0.35 0.00 0.00 0.00 174.94 175.59 2pan n THR 20 N 4.12 0.00 -3.96 2.92 -2.24 -1.26 -4.49 114.28 109.36 2pan n THR 20 Ca 0.09 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 2pan n THR 20 Cb 0.48 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.81 2pan n THR 20 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pan s THR 21 N -0.24 0.11 -0.15 4.28 2.01 -1.26 -1.18 115.64 119.20 2pan s THR 21 Ca 0.00 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 2pan s THR 21 Cb 0.00 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.25 2pan s THR 21 CO 0.00 -0.48 0.38 0.00 -0.69 0.00 0.00 174.62 173.83 2pan s ALA 22 N -1.46 -0.95 -0.11 7.40 0.00 -0.18 -4.36 121.76 122.10 2pan s ALA 22 Ca -0.16 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 2pan s ALA 22 Cb -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2pan s ALA 22 CO -0.01 -0.21 -0.09 -0.06 0.00 0.00 0.00 175.76 175.39 2pan s PHE 23 N 0.75 2.88 0.09 0.00 0.40 -0.27 -0.77 117.98 121.07 2pan s PHE 23 Ca -0.04 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 2pan s PHE 23 Cb -0.06 -1.81 0.06 0.00 0.51 0.00 0.00 43.02 41.72 2pan s PHE 23 CO -0.05 0.01 0.87 0.41 0.70 0.00 0.00 175.22 177.16 2pan n GLY 24 N 3.07 0.61 2.67 4.36 0.00 -0.78 -0.62 105.19 114.49 2pan n GLY 24 Ca -0.18 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 2pan n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 25 N -2.13 0.03 0.85 1.61 1.01 -0.48 -1.88 120.40 119.40 2pan s VAL 25 Ca 0.20 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2pan s VAL 25 Cb -0.02 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 36.01 2pan s VAL 25 CO 0.03 -0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.05 2pan s PRO 26 N 2.10 1.68 0.07 2.72 0.04 -1.26 -3.86 135.00 136.50 2pan s PRO 26 Ca 0.03 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 2pan s PRO 26 Cb -0.14 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.60 2pan s PRO 26 CO -0.06 -1.88 0.90 0.20 0.04 0.00 0.00 177.00 176.19 2pan s GLY 27 N -3.87 -0.37 0.22 0.56 0.00 -1.26 -4.79 107.32 97.80 2pan s GLY 27 Ca 0.62 0.60 -0.07 0.00 0.00 0.00 0.00 44.72 45.86 2pan s GLY 27 CO 0.54 0.18 1.78 0.00 0.00 0.00 0.00 173.10 175.60 2pan h ALA 28 N 2.00 0.95 0.00 3.20 0.00 -2.00 -1.24 119.26 122.17 2pan h ALA 28 Ca -0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2pan h ALA 28 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2pan h ALA 28 CO 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.45 2pan h ALA 29 N 1.42 1.05 -0.25 0.00 0.00 -1.96 -2.83 119.26 116.69 2pan h ALA 29 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2pan h ALA 29 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2pan h ALA 29 CO -0.26 0.04 0.00 1.51 0.00 0.00 0.00 179.25 180.54 2pan n ILE 30 N -3.20 0.83 -0.32 0.00 0.13 -0.68 -4.04 119.36 112.07 2pan n ILE 30 Ca -0.01 -0.91 -0.01 0.00 -1.10 0.00 0.00 62.75 60.72 2pan n ILE 30 Cb 0.24 0.62 0.12 0.00 -0.84 0.00 0.00 39.64 39.78 2pan n ILE 30 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 2pan h ASN 31 N 1.75 0.93 -0.98 9.51 -0.26 -1.00 -2.60 115.58 122.92 2pan h ASN 31 Ca 0.00 -0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.84 2pan h ASN 31 Cb 0.64 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.63 2pan h ASN 31 CO 0.00 0.63 0.63 -0.65 -1.06 0.00 0.00 177.43 176.97 2pan h PRO 32 N 1.08 0.99 -0.12 0.81 0.11 -1.85 0.94 132.00 133.96 2pan h PRO 32 Ca 0.36 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 2pan h PRO 32 Cb 0.05 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2pan h PRO 32 CO -0.13 0.66 0.07 0.35 -0.21 0.00 0.00 178.00 178.74 2pan h PHE 33 N 1.02 0.16 -0.75 0.65 3.57 -1.83 -1.54 116.94 118.23 2pan h PHE 33 Ca 0.46 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.98 2pan h PHE 33 Cb 0.38 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2pan h PHE 33 CO -0.00 0.15 0.50 1.88 -2.23 0.00 0.00 178.31 178.61 2pan h TYR 34 N 0.12 0.92 -0.43 0.41 -1.99 -1.15 -2.61 116.97 112.25 2pan h TYR 34 Ca 0.04 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2pan h TYR 34 Cb 0.04 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.44 2pan h TYR 34 CO -0.05 0.56 0.19 1.03 -0.00 0.00 0.00 178.16 179.89 2pan h SER 35 N 0.98 0.58 0.00 3.88 0.87 -0.59 -1.90 113.55 117.37 2pan h SER 35 Ca 0.28 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2pan h SER 35 Cb -0.05 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2pan h SER 35 CO -0.07 0.57 0.00 0.00 -0.53 0.00 0.00 176.83 176.80 2pan n ALA 36 N -2.30 1.76 0.00 6.23 0.00 -0.60 -1.82 120.51 123.78 2pan n ALA 36 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2pan n ALA 36 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2pan n ALA 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2pan n ARG 38 N 0.77 0.00 -0.25 0.00 0.63 -0.72 -1.30 116.66 115.79 2pan n ARG 38 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2pan n ARG 38 Cb 0.14 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.17 2pan n ARG 38 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2pan h LYS 39 N 0.00 1.09 0.22 -0.14 3.64 -1.63 -3.25 116.57 116.50 2pan h LYS 39 Ca 0.00 -0.19 -0.33 0.00 -1.27 0.00 0.00 60.65 58.87 2pan h LYS 39 Cb 0.00 -0.18 0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2pan h LYS 39 CO 0.00 0.88 -1.42 1.25 -2.27 0.00 0.00 179.45 177.90 2pan h HIS 40 N 1.07 0.96 -1.00 1.91 2.76 -1.46 -3.50 115.15 115.87 2pan h HIS 40 Ca 0.25 -0.68 0.12 0.00 -2.20 0.00 0.00 60.37 57.86 2pan h HIS 40 Cb 0.20 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 2pan h HIS 40 CO 0.02 1.52 -0.21 0.41 -1.30 0.00 0.00 177.93 178.37 2pan n GLY 41 N 1.63 -1.74 1.15 5.26 0.00 -1.23 -4.98 105.19 105.28 2pan n GLY 41 Ca -0.16 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2pan n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pan n GLY 42 N -2.41 1.26 3.24 -0.02 0.00 -1.26 -4.98 105.19 101.02 2pan n GLY 42 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pan n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 43 N -2.37 2.58 -0.27 -0.61 1.01 -1.26 -4.58 121.20 115.70 2pan s ILE 43 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 2pan s ILE 43 Cb 0.00 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.38 2pan s ILE 43 CO 0.00 0.52 0.87 -0.60 0.00 0.00 0.00 174.94 175.72 2pan s ARG 44 N 0.89 4.12 -0.21 2.79 3.52 -0.32 -4.93 118.95 124.80 2pan s ARG 44 Ca -0.04 0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 56.33 2pan s ARG 44 Cb -0.15 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 2pan s ARG 44 CO -0.01 -0.61 0.27 -1.58 -0.81 0.00 0.00 175.30 172.55 2pan s HIS 45 N 3.00 3.36 -0.25 5.12 5.65 -1.26 -1.01 115.29 129.90 2pan s HIS 45 Ca 0.36 0.44 -0.09 0.00 0.25 0.00 0.00 55.06 56.02 2pan s HIS 45 Cb -0.15 -2.38 -0.04 0.00 -1.18 0.00 0.00 32.58 28.84 2pan s HIS 45 CO 0.09 0.07 0.11 0.42 -0.65 0.00 0.00 174.74 174.79 2pan s ILE 46 N 1.04 4.76 -0.28 0.89 -1.09 0.05 -4.99 121.20 121.58 2pan s ILE 46 Ca 0.13 -0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.24 2pan s ILE 46 Cb -0.14 -3.23 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 2pan s ILE 46 CO 0.05 0.33 1.10 -0.22 -1.23 0.00 0.00 174.94 174.97 2pan s LEU 47 N 1.45 3.99 0.68 2.97 2.96 -1.26 -1.87 118.68 127.59 2pan s LEU 47 Ca 0.06 1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 55.08 2pan s LEU 47 Cb -0.15 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.04 2pan s LEU 47 CO 0.06 -0.84 1.02 0.00 -1.32 0.00 0.00 176.35 175.26 2pan s ALA 48 N 3.60 3.08 -0.19 5.97 0.00 -0.79 -4.84 121.76 128.59 2pan s ALA 48 Ca 0.47 -0.71 0.16 0.00 0.00 0.00 0.00 51.96 51.88 2pan s ALA 48 Cb -0.14 -2.73 0.38 0.00 0.00 0.00 0.00 23.12 20.64 2pan s ALA 48 CO 0.14 -1.17 1.27 0.54 0.00 0.00 0.00 175.76 176.54 2pan n ARG 49 N -2.89 2.23 -3.64 0.00 1.74 -1.26 -4.85 116.66 107.99 2pan n ARG 49 Ca 0.07 -2.60 -0.09 0.00 -0.77 0.00 0.00 57.85 54.46 2pan n ARG 49 Cb 0.59 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 2pan n ARG 49 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pan s HIS 50 N -2.63 -0.54 0.24 -1.55 2.46 -1.26 -4.89 115.29 107.12 2pan s HIS 50 Ca 0.34 1.27 -0.06 0.00 0.47 0.00 0.00 55.06 57.08 2pan s HIS 50 Cb 0.28 0.36 0.30 0.00 -0.13 0.00 0.00 32.58 33.40 2pan s HIS 50 CO 0.06 -0.26 1.89 0.28 -2.47 0.00 0.00 174.74 174.24 2pan h VAL 51 N 3.89 1.14 -0.92 0.89 2.07 -1.91 -0.52 116.25 120.90 2pan h VAL 51 Ca -0.28 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2pan h VAL 51 Cb 1.18 -0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2pan h VAL 51 CO 0.12 0.21 0.59 -0.08 0.02 0.00 0.00 177.57 178.42 2pan h GLU 52 N 1.14 0.88 -0.24 1.57 4.81 -1.92 -0.47 114.58 120.35 2pan h GLU 52 Ca 0.37 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2pan h GLU 52 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2pan h GLU 52 CO -0.13 0.58 0.15 0.78 -0.73 0.00 0.00 179.01 179.66 2pan h GLY 53 N 0.90 0.33 1.04 1.92 0.00 -1.47 -1.68 103.07 104.11 2pan h GLY 53 Ca 0.43 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.67 2pan h GLY 53 CO -0.19 0.11 0.60 0.00 0.00 0.00 0.00 176.54 177.06 2pan h ALA 54 N 1.10 1.38 -0.23 3.60 0.00 -0.47 -2.83 119.26 121.80 2pan h ALA 54 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pan h ALA 54 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2pan h ALA 54 CO -0.03 0.55 0.10 0.77 0.00 0.00 0.00 179.25 180.65 2pan h SER 55 N 1.20 0.30 0.00 0.00 0.02 -0.82 -2.47 113.55 111.78 2pan h SER 55 Ca 0.35 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2pan h SER 55 Cb -0.07 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2pan h SER 55 CO -0.09 0.36 -0.02 1.41 -1.14 0.00 0.00 176.83 177.35 2pan n HIS 56 N -4.83 0.00 0.00 3.45 8.25 -0.66 -2.34 115.22 119.09 2pan n HIS 56 Ca -0.03 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 2pan n HIS 56 Cb 0.11 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.69 2pan n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pan n ALA 58 N 1.65 0.00 -0.07 -1.41 0.00 -0.93 -1.98 120.51 117.77 2pan n ALA 58 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2pan n ALA 58 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 2pan n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pan h GLU 59 N 0.00 0.34 -0.69 0.00 5.08 -1.76 -1.75 114.58 115.80 2pan h GLU 59 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2pan h GLU 59 Cb 0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2pan h GLU 59 CO 0.00 0.32 0.40 0.78 -1.00 0.00 0.00 179.01 179.51 2pan h GLY 60 N 0.28 1.02 0.77 -3.84 0.00 -1.61 -1.23 103.07 98.46 2pan h GLY 60 Ca 0.09 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 47.02 2pan h GLY 60 CO -0.01 0.43 0.48 -1.82 0.00 0.00 0.00 176.54 175.62 2pan h TYR 61 N 0.95 0.90 0.04 5.60 3.20 -1.57 -1.65 116.97 124.44 2pan h TYR 61 Ca 0.25 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2pan h TYR 61 Cb 0.00 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.98 2pan h TYR 61 CO -0.01 0.47 -0.02 1.15 -1.64 0.00 0.00 178.16 178.12 2pan h THR 62 N 0.91 1.18 0.00 1.81 2.02 -1.03 -3.23 112.91 114.57 2pan h THR 62 Ca 0.33 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2pan h THR 62 Cb 0.11 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2pan h THR 62 CO -0.15 0.18 0.00 0.03 0.37 0.00 0.00 175.52 175.95 2pan h ARG 63 N -0.38 0.00 -0.46 6.66 3.08 -1.01 -3.23 114.38 119.04 2pan h ARG 63 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2pan h ARG 63 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2pan h ARG 63 CO 0.01 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.87 2pan h ALA 64 N 2.04 0.63 -3.07 0.04 0.00 -1.32 -3.46 119.26 114.11 2pan h ALA 64 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2pan h ALA 64 Cb 0.31 -0.17 -0.24 0.00 0.00 0.00 0.00 17.79 17.69 2pan h ALA 64 CO 0.00 0.46 -0.49 0.99 0.00 0.00 0.00 179.25 180.21 2pan s THR 65 N -4.93 0.03 0.22 0.00 2.01 -1.22 -4.89 115.64 106.86 2pan s THR 65 Ca -0.12 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 2pan s THR 65 Cb 0.11 -0.34 0.21 0.00 0.01 0.00 0.00 72.50 72.49 2pan s THR 65 CO 0.82 -0.15 1.67 0.00 -0.69 0.00 0.00 174.62 176.28 2pan h ALA 66 N 5.22 0.70 -0.01 7.40 0.00 -1.89 -1.59 119.26 129.08 2pan h ALA 66 Ca -0.27 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pan h ALA 66 Cb 1.20 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2pan h ALA 66 CO 0.40 -0.37 -0.04 0.41 0.00 0.00 0.00 179.25 179.65 2pan n GLY 67 N -1.36 -0.40 3.75 0.00 0.00 -1.26 -4.97 105.19 100.96 2pan n GLY 67 Ca 0.10 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2pan n GLY 67 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pan s ASN 68 N -2.11 7.02 -0.28 1.61 0.01 -0.60 -5.02 114.94 115.57 2pan s ASN 68 Ca 0.38 2.40 0.01 0.00 -0.71 0.00 0.00 52.86 54.93 2pan s ASN 68 Cb 0.21 -2.62 0.08 0.00 0.41 0.00 0.00 41.25 39.33 2pan s ASN 68 CO 0.38 -0.37 0.03 -0.63 -1.51 0.00 0.00 177.10 174.99 2pan s ILE 69 N -0.64 1.45 0.30 0.60 -1.09 -1.26 -4.57 121.20 115.99 2pan s ILE 69 Ca 0.50 -1.53 -0.29 0.00 -2.23 0.00 0.00 60.65 57.10 2pan s ILE 69 Cb -0.35 -1.94 -0.10 0.00 -1.58 0.00 0.00 42.46 38.49 2pan s ILE 69 CO 0.42 -0.42 1.26 -0.83 -1.23 0.00 0.00 174.94 174.15 2pan s GLY 70 N 1.37 2.93 -0.09 6.18 0.00 -1.25 -4.87 107.32 111.59 2pan s GLY 70 Ca 0.04 1.16 0.02 0.00 0.00 0.00 0.00 44.72 45.94 2pan s GLY 70 CO -0.13 1.85 -0.17 0.14 0.00 0.00 0.00 173.10 174.79 2pan s VAL 71 N -0.96 2.76 -0.15 1.40 1.01 -1.26 -1.26 120.40 121.94 2pan s VAL 71 Ca 0.49 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2pan s VAL 71 Cb -0.38 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2pan s VAL 71 CO 0.48 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.93 2pan s LEU 73 N 0.97 2.44 0.27 0.00 1.43 0.21 -0.59 118.68 123.41 2pan s LEU 73 Ca -0.03 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2pan s LEU 73 Cb -0.15 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2pan s LEU 73 CO -0.05 0.23 0.50 -0.83 0.23 0.00 0.00 176.35 176.43 2pan s GLY 74 N -0.08 0.70 0.00 -3.19 0.00 -0.60 -1.39 107.32 102.77 2pan s GLY 74 Ca -0.04 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2pan s GLY 74 CO 0.04 -0.68 0.00 -0.37 0.00 0.00 0.00 173.10 172.09 2pan n THR 75 N -0.43 0.00 -1.67 0.90 5.66 -1.25 -1.67 114.28 115.82 2pan n THR 75 Ca -0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.68 2pan n THR 75 Cb 0.62 -1.60 0.22 0.00 -1.55 0.00 0.00 70.33 68.01 2pan n THR 75 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pan s SER 76 N -1.00 2.17 1.87 1.09 1.04 -1.19 -3.45 113.70 114.24 2pan s SER 76 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2pan s SER 76 Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2pan s SER 76 CO 0.00 -3.32 0.00 0.61 0.98 0.00 0.00 173.24 171.51 2pan n GLY 77 N -2.93 4.00 0.15 7.32 0.00 -0.33 -3.00 105.19 110.40 2pan n GLY 77 Ca 0.16 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.39 2pan n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pan h PRO 78 N 0.00 0.00 -0.48 1.61 0.13 -1.90 -2.46 132.00 128.91 2pan h PRO 78 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2pan h PRO 78 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2pan h PRO 78 CO 0.00 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 177.91 2pan h ALA 79 N 2.24 0.63 -0.61 -0.56 0.00 -1.76 -1.97 119.26 117.22 2pan h ALA 79 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2pan h ALA 79 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pan h ALA 79 CO 0.00 0.29 0.03 0.78 0.00 0.00 0.00 179.25 180.35 2pan h GLY 80 N 0.64 1.12 2.00 0.00 0.00 -1.60 -2.76 103.07 102.47 2pan h GLY 80 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2pan h GLY 80 CO -0.00 0.73 0.00 -0.91 0.00 0.00 0.00 176.54 176.36 2pan h THR 81 N 0.96 0.00 -0.17 4.70 1.35 -1.47 -3.29 112.91 114.99 2pan h THR 81 Ca 0.18 -0.52 -0.16 0.00 -0.55 0.00 0.00 66.41 65.36 2pan h THR 81 Cb 0.51 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 68.31 2pan h THR 81 CO 0.02 0.00 -0.04 0.47 -0.25 0.00 0.00 175.52 175.72 2pan n ASP 82 N -2.71 5.57 0.00 5.36 8.00 -0.75 -4.73 116.55 127.29 2pan n ASP 82 Ca 0.02 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.93 2pan n ASP 82 Cb 0.35 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2pan n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2pan n ILE 84 N 1.63 0.00 -0.36 0.53 2.08 -1.24 -3.72 119.36 118.28 2pan n ILE 84 Ca 0.24 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.53 2pan n ILE 84 Cb 0.66 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.67 2pan n ILE 84 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2pan h THR 85 N 0.00 1.21 -0.20 1.39 2.02 -1.94 -0.74 112.91 114.64 2pan h THR 85 Ca 0.00 -0.44 -0.17 0.00 0.77 0.00 0.00 66.41 66.57 2pan h THR 85 Cb 0.00 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.23 2pan h THR 85 CO 0.00 0.23 -0.55 0.00 0.37 0.00 0.00 175.52 175.58 2pan h ALA 86 N 1.38 0.34 -0.83 6.16 0.00 -1.94 -0.83 119.26 123.53 2pan h ALA 86 Ca 0.37 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2pan h ALA 86 Cb -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2pan h ALA 86 CO -0.10 0.55 0.53 -0.07 0.00 0.00 0.00 179.25 180.16 2pan h LEU 87 N 0.44 0.86 0.11 0.00 3.38 -1.81 0.78 115.31 119.08 2pan h LEU 87 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pan h LEU 87 Cb 1.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2pan h LEU 87 CO 0.12 0.58 -0.05 0.22 0.09 0.00 0.00 178.44 179.39 2pan h TYR 88 N 1.01 -0.14 -0.64 1.13 3.20 -1.06 -0.85 116.97 119.63 2pan h TYR 88 Ca 0.34 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.28 2pan h TYR 88 Cb 0.06 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 2pan h TYR 88 CO -0.03 0.02 0.32 1.03 -1.64 0.00 0.00 178.16 177.86 2pan h SER 89 N -0.27 0.44 -0.22 -2.11 0.87 -0.76 0.81 113.55 112.31 2pan h SER 89 Ca -0.02 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2pan h SER 89 Cb 0.22 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2pan h SER 89 CO 0.03 0.28 -0.17 0.00 -0.53 0.00 0.00 176.83 176.44 2pan h ALA 90 N 1.36 0.32 -0.09 6.23 0.00 -0.80 -2.64 119.26 123.64 2pan h ALA 90 Ca 0.30 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2pan h ALA 90 Cb 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2pan h ALA 90 CO -0.21 0.23 -0.17 0.77 0.00 0.00 0.00 179.25 179.86 2pan h SER 91 N 0.21 -0.51 -0.81 0.00 0.02 -0.91 -0.68 113.55 110.87 2pan h SER 91 Ca 0.04 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 2pan h SER 91 Cb 0.70 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 2pan h SER 91 CO 0.04 -0.22 0.53 0.00 -1.14 0.00 0.00 176.83 176.04 2pan h ALA 92 N 0.78 1.73 -0.64 3.77 0.00 -0.77 -1.61 119.26 122.51 2pan h ALA 92 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pan h ALA 92 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2pan h ALA 92 CO -0.23 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.88 2pan n ASP 93 N -4.51 4.21 -3.65 0.00 8.00 -1.00 -4.85 116.55 114.75 2pan n ASP 93 Ca 0.14 -2.26 -0.25 0.00 0.71 0.00 0.00 54.79 53.13 2pan n ASP 93 Cb 0.31 -0.53 0.07 0.00 -0.02 0.00 0.00 41.12 40.96 2pan n ASP 93 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pan n SER 94 N 1.23 -5.76 -4.17 -2.24 7.64 -0.61 -5.02 113.62 104.70 2pan n SER 94 Ca 0.24 -0.59 -0.21 0.00 1.01 0.00 0.00 58.87 59.32 2pan n SER 94 Cb 0.75 -4.83 -0.13 0.00 -1.01 0.00 0.00 64.21 58.99 2pan n SER 94 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2pan s ILE 95 N -3.32 1.22 0.10 0.44 -5.25 -0.31 -4.21 121.20 109.88 2pan s ILE 95 Ca 0.55 -1.10 -0.14 0.00 -0.99 0.00 0.00 60.65 58.97 2pan s ILE 95 Cb -0.25 -1.11 -0.07 0.00 2.95 0.00 0.00 42.46 43.98 2pan s ILE 95 CO 0.75 0.00 0.51 -2.16 -1.79 0.00 0.00 174.94 172.25 2pan s PRO 96 N -1.26 3.97 0.15 0.37 0.04 -1.26 -3.54 135.00 133.47 2pan s PRO 96 Ca 0.02 0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.59 2pan s PRO 96 Cb -0.08 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2pan s PRO 96 CO 0.02 0.55 -0.12 0.96 0.04 0.00 0.00 177.00 178.44 2pan s ILE 97 N -1.34 1.31 -0.30 0.56 -4.36 -1.26 -4.43 121.20 111.37 2pan s ILE 97 Ca 0.34 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 58.70 2pan s ILE 97 Cb -0.16 -1.78 0.04 0.00 1.25 0.00 0.00 42.46 41.81 2pan s ILE 97 CO 0.18 -0.63 0.03 -0.22 0.24 0.00 0.00 174.94 174.55 2pan s LEU 98 N -2.98 3.89 -0.14 0.37 2.96 -0.39 -1.49 118.68 120.89 2pan s LEU 98 Ca 0.15 -1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 52.85 2pan s LEU 98 Cb -0.00 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 2pan s LEU 98 CO 0.02 -0.25 0.27 0.00 -1.32 0.00 0.00 176.35 175.08 2pan s ILE 100 N 0.14 1.51 0.07 0.00 1.01 0.24 -0.24 121.20 123.92 2pan s ILE 100 Ca 0.16 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.29 2pan s ILE 100 Cb -0.13 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2pan s ILE 100 CO 0.04 0.45 -0.23 0.42 0.00 0.00 0.00 174.94 175.62 2pan s THR 101 N 1.33 2.46 0.91 2.92 -4.23 -0.24 -1.55 115.64 117.23 2pan s THR 101 Ca 0.01 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2pan s THR 101 Cb -0.14 -2.03 0.14 0.00 1.34 0.00 0.00 72.50 71.81 2pan s THR 101 CO -0.07 0.28 1.13 -0.83 -0.54 0.00 0.00 174.62 174.59 2pan s GLY 102 N -1.55 1.58 -0.02 3.99 0.00 -0.67 -0.71 107.32 109.93 2pan s GLY 102 Ca 0.14 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 2pan s GLY 102 CO 0.05 0.08 0.72 1.62 0.00 0.00 0.00 173.10 175.57 2pan s GLN 103 N -5.23 1.02 0.84 2.90 2.00 -0.68 -3.18 119.66 117.33 2pan s GLN 103 Ca 0.64 0.08 -0.11 0.00 -2.00 0.00 0.00 55.36 53.97 2pan s GLN 103 Cb -0.15 0.48 0.10 0.00 0.80 0.00 0.00 33.01 34.24 2pan s GLN 103 CO 0.54 -0.35 1.13 0.00 -0.50 0.00 0.00 175.29 176.11 2pan s ALA 104 N -1.75 1.84 0.72 1.58 0.00 -1.26 -0.54 121.76 122.35 2pan s ALA 104 Ca -0.07 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 2pan s ALA 104 Cb -0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2pan s ALA 104 CO 0.04 -2.28 1.06 -2.30 0.00 0.00 0.00 175.76 172.28 2pan n PRO 105 N -3.77 0.59 -0.36 0.00 -0.02 -1.26 -4.05 135.00 126.13 2pan n PRO 105 Ca 0.11 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2pan n PRO 105 Cb 0.52 -2.31 0.16 0.00 -0.02 0.00 0.00 33.50 31.85 2pan n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pan h ARG 106 N -0.17 1.12 0.00 -0.52 3.08 -1.93 -1.77 114.38 114.19 2pan h ARG 106 Ca -0.48 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2pan h ARG 106 Cb 1.33 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2pan h ARG 106 CO 0.48 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 180.12 2pan h ALA 107 N 1.44 1.00 -0.09 0.04 0.00 -2.04 -2.85 119.26 116.76 2pan h ALA 107 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2pan h ALA 107 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pan h ALA 107 CO -0.16 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.63 2pan n ARG 108 N -3.00 2.57 0.28 0.00 1.74 -0.68 -4.70 116.66 112.88 2pan n ARG 108 Ca -0.03 -1.55 0.15 0.00 -0.77 0.00 0.00 57.85 55.66 2pan n ARG 108 Cb 0.08 -1.07 0.85 0.00 -1.02 0.00 0.00 32.46 31.30 2pan n ARG 108 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pan h LEU 109 N 0.58 0.00 -0.83 0.55 3.38 -1.36 -2.99 115.31 114.64 2pan h LEU 109 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pan h LEU 109 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pan h LEU 109 CO 0.00 0.06 -0.18 1.41 0.09 0.00 0.00 178.44 179.82 2pan n HIS 110 N -3.56 0.00 -2.36 1.13 8.25 -1.26 -4.86 115.22 112.55 2pan n HIS 110 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2pan n HIS 110 Cb 0.18 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 2pan n HIS 110 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pan s LYS 111 N -1.31 3.69 -1.45 -0.41 -0.14 -1.13 -4.96 119.74 114.04 2pan s LYS 111 Ca 0.09 0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 55.20 2pan s LYS 111 Cb 0.08 -2.23 0.04 0.00 -1.68 0.00 0.00 37.83 34.05 2pan s LYS 111 CO 0.24 -0.31 2.42 0.39 -0.76 0.00 0.00 175.35 177.32 2pan n GLU 112 N -2.09 3.60 -2.04 1.68 1.02 -1.26 -4.95 120.64 116.60 2pan n GLU 112 Ca 0.04 -2.82 -0.40 0.00 -0.02 0.00 0.00 57.16 53.95 2pan n GLU 112 Cb 0.54 -2.94 -0.01 0.00 -0.02 0.00 0.00 31.44 29.01 2pan n GLU 112 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pan s ASP 113 N 1.88 6.57 -0.13 1.62 2.15 -1.26 -4.85 116.67 122.65 2pan s ASP 113 Ca 0.54 2.75 -0.40 0.00 0.43 0.00 0.00 52.55 55.88 2pan s ASP 113 Cb 0.15 -2.65 -0.17 0.00 -0.30 0.00 0.00 42.92 39.95 2pan s ASP 113 CO -0.06 -0.68 1.49 0.33 -0.17 0.00 0.00 175.17 176.08 2pan n PHE 114 N 0.56 1.64 -2.85 -5.34 7.35 -1.26 -1.34 117.46 116.22 2pan n PHE 114 Ca 0.01 0.71 -0.22 0.00 -0.76 0.00 0.00 57.45 57.20 2pan n PHE 114 Cb 0.42 -2.34 0.02 0.00 0.35 0.00 0.00 39.48 37.93 2pan n PHE 114 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2pan n GLN 115 N 3.65 -3.83 -3.69 -4.13 6.02 -1.26 -4.91 117.38 109.23 2pan n GLN 115 Ca 0.23 0.90 -0.38 0.00 -0.01 0.00 0.00 57.00 57.74 2pan n GLN 115 Cb 0.12 -5.69 -0.12 0.00 1.02 0.00 0.00 30.24 25.57 2pan n GLN 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan s ALA 116 N -3.10 3.24 0.09 -1.58 0.00 -0.45 -1.19 121.76 118.78 2pan s ALA 116 Ca 0.22 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2pan s ALA 116 Cb -0.10 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2pan s ALA 116 CO 0.27 -0.74 -0.11 0.54 0.00 0.00 0.00 175.76 175.71 2pan s VAL 117 N 1.62 0.98 -1.40 0.00 0.11 -1.26 -4.81 120.40 115.65 2pan s VAL 117 Ca 0.05 -1.50 -0.13 0.00 -2.93 0.00 0.00 61.98 57.47 2pan s VAL 117 Cb -0.16 -1.22 0.08 0.00 -1.53 0.00 0.00 36.38 33.55 2pan s VAL 117 CO 0.05 -0.44 2.09 -0.67 -3.33 0.00 0.00 175.10 172.80 2pan n ASP 118 N 0.84 4.29 0.23 3.54 2.03 -1.26 -4.73 116.55 121.50 2pan n ASP 118 Ca -0.18 -2.92 0.07 0.00 0.52 0.00 0.00 54.79 52.28 2pan n ASP 118 Cb 0.56 -1.62 0.56 0.00 -0.72 0.00 0.00 41.12 39.91 2pan n ASP 118 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2pan h ILE 119 N 4.05 1.02 -0.28 5.18 6.09 -1.97 -2.52 117.51 129.08 2pan h ILE 119 Ca 0.51 -0.55 0.05 0.00 -1.37 0.00 0.00 64.86 63.51 2pan h ILE 119 Cb 0.66 1.30 -0.05 0.00 0.47 0.00 0.00 36.82 39.20 2pan h ILE 119 CO 1.78 0.15 -0.04 -0.08 -3.07 0.00 0.00 178.15 176.89 2pan h GLU 120 N 0.00 0.03 -0.53 2.19 4.81 -1.89 -0.42 114.58 118.76 2pan h GLU 120 Ca -0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2pan h GLU 120 Cb 0.29 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2pan h GLU 120 CO 0.02 0.02 -0.13 0.00 -0.73 0.00 0.00 179.01 178.19 2pan h ALA 121 N 1.26 0.77 -0.44 2.92 0.00 -1.81 -2.63 119.26 119.33 2pan h ALA 121 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2pan h ALA 121 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2pan h ALA 121 CO -0.26 0.67 -0.18 0.82 0.00 0.00 0.00 179.25 180.30 2pan h ILE 122 N 0.90 1.27 0.00 0.00 2.04 -1.23 -3.25 117.51 117.24 2pan h ILE 122 Ca 0.14 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2pan h ILE 122 Cb 0.70 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2pan h ILE 122 CO 0.05 0.44 -0.76 0.00 0.00 0.00 0.00 178.15 177.88 2pan h ALA 123 N 1.04 0.57 -0.72 1.87 0.00 -1.09 -3.39 119.26 117.53 2pan h ALA 123 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.17 2pan h ALA 123 Cb 0.70 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 2pan h ALA 123 CO 0.05 0.00 -0.10 -0.22 0.00 0.00 0.00 179.25 178.98 2pan h LYS 124 N 0.00 0.04 0.00 0.00 1.63 -1.50 -1.70 116.57 115.04 2pan h LYS 124 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2pan h LYS 124 Cb 0.88 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2pan h LYS 124 CO 0.00 0.02 0.00 -2.30 -3.45 0.00 0.00 179.45 173.72 2pan n PRO 125 N -5.42 0.05 -1.41 1.90 -0.02 -1.26 -3.34 135.00 125.49 2pan n PRO 125 Ca 0.11 0.29 -0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2pan n PRO 125 Cb 0.41 -1.59 0.10 0.00 -0.02 0.00 0.00 33.50 32.40 2pan n PRO 125 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pan n VAL 126 N -1.67 1.43 -3.64 -1.45 0.24 -0.65 -5.05 118.33 107.52 2pan n VAL 126 Ca 0.03 -2.64 -0.13 0.00 -2.04 0.00 0.00 64.34 59.56 2pan n VAL 126 Cb 0.18 0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.71 2pan n VAL 126 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pan s SER 127 N -2.97 -0.34 0.00 -1.34 1.04 -1.14 -4.03 113.70 104.92 2pan s SER 127 Ca 0.37 0.11 0.11 0.00 0.48 0.00 0.00 55.95 57.02 2pan s SER 127 Cb 0.38 0.44 0.63 0.00 0.10 0.00 0.00 66.02 67.56 2pan s SER 127 CO -0.08 -0.65 1.06 0.29 0.98 0.00 0.00 173.24 174.84 2pan n LYS 128 N 0.61 0.34 -3.23 4.02 5.02 -0.44 -4.89 118.16 119.58 2pan n LYS 128 Ca -0.19 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.14 2pan n LYS 128 Cb 0.59 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 2pan n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pan s ALA 130 N -2.00 -3.23 -0.02 7.82 0.00 -1.26 -5.07 121.76 118.00 2pan s ALA 130 Ca 0.16 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 2pan s ALA 130 Cb 0.07 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.90 2pan s ALA 130 CO 0.12 -1.11 0.06 0.54 0.00 0.00 0.00 175.76 175.37 2pan s VAL 131 N 2.42 -0.00 -0.26 0.00 0.11 -0.84 -4.87 120.40 116.96 2pan s VAL 131 Ca -0.02 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 2pan s VAL 131 Cb -0.05 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 2pan s VAL 131 CO -0.15 0.01 0.52 -0.89 -3.33 0.00 0.00 175.10 171.26 2pan s THR 132 N 0.11 5.06 -0.22 5.04 2.01 -1.26 -0.90 115.64 125.48 2pan s THR 132 Ca -0.01 0.90 -0.29 0.00 0.31 0.00 0.00 61.69 62.61 2pan s THR 132 Cb -0.01 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 2pan s THR 132 CO -0.00 0.08 1.20 -0.69 -0.69 0.00 0.00 174.62 174.52 2pan s VAL 133 N 2.31 4.37 -0.83 3.82 1.01 -0.27 -4.91 120.40 125.90 2pan s VAL 133 Ca 0.22 1.63 0.23 0.00 0.00 0.00 0.00 61.98 64.06 2pan s VAL 133 Cb -0.16 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 2pan s VAL 133 CO 0.09 -0.25 1.17 0.54 0.00 0.00 0.00 175.10 176.66 2pan n ARG 134 N 6.71 0.13 -3.92 2.72 5.12 -1.26 -4.46 116.66 121.70 2pan n ARG 134 Ca 0.13 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.95 2pan n ARG 134 Cb 0.46 -1.55 -0.13 0.00 -1.16 0.00 0.00 32.46 30.08 2pan n ARG 134 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2pan s GLU 135 N -3.08 0.13 0.18 5.56 0.41 -1.26 -5.04 118.70 115.59 2pan s GLU 135 Ca 0.07 -0.24 -0.15 0.00 -0.41 0.00 0.00 54.97 54.25 2pan s GLU 135 Cb 0.16 0.02 0.14 0.00 -1.78 0.00 0.00 34.13 32.67 2pan s GLU 135 CO 0.77 -0.01 1.68 0.00 -0.49 0.00 0.00 175.26 177.21 2pan h ALA 136 N 5.58 0.38 0.00 5.21 0.00 -1.90 -1.87 119.26 126.65 2pan h ALA 136 Ca -0.27 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pan h ALA 136 Cb 1.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2pan h ALA 136 CO 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2pan h ALA 137 N 1.41 1.00 0.00 0.00 0.00 -1.91 -1.90 119.26 117.86 2pan h ALA 137 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2pan h ALA 137 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pan h ALA 137 CO -0.39 0.00 -0.26 1.28 0.00 0.00 0.00 179.25 179.88 2pan n LEU 138 N -2.84 0.42 0.16 0.00 4.77 -0.71 -4.32 117.00 114.49 2pan n LEU 138 Ca -0.01 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 2pan n LEU 138 Cb 0.15 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 2pan n LEU 138 CO 0.20 -0.01 0.64 0.58 -1.33 0.00 0.00 177.39 177.48 2pan h VAL 139 N 0.00 0.31 -0.06 4.08 2.07 -1.34 0.13 116.25 121.43 2pan h VAL 139 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2pan h VAL 139 Cb 0.59 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2pan h VAL 139 CO 0.00 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.09 2pan h PRO 140 N -0.62 0.09 -0.04 1.57 0.13 -1.79 -2.90 132.00 128.44 2pan h PRO 140 Ca 0.01 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 2pan h PRO 140 Cb 0.60 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.72 2pan h PRO 140 CO -0.13 0.15 -0.90 0.00 -0.23 0.00 0.00 178.00 176.89 2pan h ARG 141 N 0.09 0.53 -0.59 0.86 2.47 -1.59 -1.42 114.38 114.73 2pan h ARG 141 Ca 0.02 -0.52 -0.10 0.00 -1.26 0.00 0.00 59.98 58.12 2pan h ARG 141 Cb 0.16 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 2pan h ARG 141 CO 0.01 1.15 -0.02 0.28 0.56 0.00 0.00 179.97 181.95 2pan h VAL 142 N 0.32 1.27 -0.49 2.04 2.07 -0.69 -0.39 116.25 120.39 2pan h VAL 142 Ca -0.08 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 2pan h VAL 142 Cb 1.52 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2pan h VAL 142 CO 0.16 0.42 0.13 -0.07 0.02 0.00 0.00 177.57 178.24 2pan h LEU 143 N 0.96 0.73 -0.50 2.57 3.38 -1.52 0.19 115.31 121.11 2pan h LEU 143 Ca 0.17 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2pan h LEU 143 Cb 0.58 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2pan h LEU 143 CO 0.03 0.76 0.16 -0.61 0.09 0.00 0.00 178.44 178.87 2pan h GLN 144 N 0.66 0.31 -0.29 1.13 4.15 -0.99 -1.79 115.11 118.28 2pan h GLN 144 Ca 0.15 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 2pan h GLN 144 Cb 0.31 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2pan h GLN 144 CO -0.00 0.20 -0.22 0.37 -1.93 0.00 0.00 178.83 177.25 2pan h GLN 145 N 0.32 0.55 -0.54 1.69 5.75 -0.84 -3.12 115.11 118.93 2pan h GLN 145 Ca 0.25 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2pan h GLN 145 Cb 0.29 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2pan h GLN 145 CO -0.27 0.74 0.20 0.00 -2.65 0.00 0.00 178.83 176.85 2pan h ALA 146 N 1.27 0.70 -0.01 3.38 0.00 0.17 -2.34 119.26 122.44 2pan h ALA 146 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2pan h ALA 146 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2pan h ALA 146 CO 0.05 0.32 -0.47 0.74 0.00 0.00 0.00 179.25 179.89 2pan h PHE 147 N 0.73 0.02 0.06 0.00 0.04 -1.36 -2.87 116.94 113.56 2pan h PHE 147 Ca 0.18 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 2pan h PHE 147 Cb 0.22 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2pan h PHE 147 CO 0.01 0.49 -0.03 1.25 -0.60 0.00 0.00 178.31 179.43 2pan h HIS 148 N 0.01 -0.07 0.00 -0.55 2.76 -1.44 -2.78 115.15 113.08 2pan h HIS 148 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2pan h HIS 148 Cb 0.84 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2pan h HIS 148 CO 0.00 0.06 0.00 1.28 -1.30 0.00 0.00 177.93 177.98 2pan n LEU 149 N -5.07 0.80 0.00 0.26 4.77 -0.90 -0.97 117.00 115.89 2pan n LEU 149 Ca -0.08 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2pan n LEU 149 Cb 0.11 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2pan n LEU 149 CO 0.33 0.14 0.00 0.54 -1.33 0.00 0.00 177.39 177.07 2pan n ARG 151 N 0.99 0.00 -3.10 3.23 1.74 -1.05 -4.29 116.66 114.19 2pan n ARG 151 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2pan n ARG 151 Cb 0.12 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.54 2pan n ARG 151 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2pan s SER 152 N 0.00 6.37 0.93 0.55 0.01 -0.14 -4.80 113.70 116.62 2pan s SER 152 Ca 0.00 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2pan s SER 152 Cb 0.00 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2pan s SER 152 CO 0.00 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2pan n GLY 153 N -1.54 2.83 3.61 3.44 0.00 -0.59 -3.69 105.19 109.26 2pan n GLY 153 Ca -0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2pan n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pan s ARG 154 N 0.00 3.76 0.55 1.61 3.52 -1.26 -4.94 118.95 122.18 2pan s ARG 154 Ca 0.00 0.78 -0.20 0.00 -0.13 0.00 0.00 55.73 56.17 2pan s ARG 154 Cb 0.00 -3.91 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 2pan s ARG 154 CO 0.00 -1.33 1.23 -2.14 -0.81 0.00 0.00 175.30 172.25 2pan s PRO 155 N 4.42 3.20 0.29 5.12 0.02 -1.24 -5.01 135.00 141.79 2pan s PRO 155 Ca 0.51 1.91 -0.20 0.00 0.02 0.00 0.00 61.00 63.23 2pan s PRO 155 Cb -0.10 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.34 2pan s PRO 155 CO 0.29 -1.05 0.76 0.20 -0.33 0.00 0.00 177.00 176.87 2pan s GLY 156 N -1.39 -0.02 0.63 0.52 0.00 -1.26 -3.43 107.32 102.36 2pan s GLY 156 Ca 0.73 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 2pan s GLY 156 CO 0.37 -0.08 1.02 2.56 0.00 0.00 0.00 173.10 176.97 2pan s PRO 157 N -3.56 3.41 0.01 2.90 0.04 -1.23 -4.22 135.00 132.35 2pan s PRO 157 Ca 0.12 0.63 0.03 0.00 0.04 0.00 0.00 61.00 61.82 2pan s PRO 157 Cb -0.05 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2pan s PRO 157 CO 0.07 -0.65 -0.09 0.08 0.04 0.00 0.00 177.00 176.45 2pan s VAL 158 N -3.18 0.71 -0.14 -0.36 1.01 -0.56 -1.33 120.40 116.55 2pan s VAL 158 Ca 0.55 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2pan s VAL 158 Cb -0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 2pan s VAL 158 CO 0.53 0.10 -0.16 -0.22 0.00 0.00 0.00 175.10 175.35 2pan s LEU 159 N -0.48 2.49 -0.19 3.92 0.20 -1.26 -1.01 118.68 122.35 2pan s LEU 159 Ca 0.02 -0.45 -0.01 0.00 0.69 0.00 0.00 54.13 54.38 2pan s LEU 159 Cb -0.05 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.16 2pan s LEU 159 CO -0.00 0.11 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.35 2pan s VAL 160 N 0.64 2.70 -0.26 1.68 1.01 0.67 -1.98 120.40 124.86 2pan s VAL 160 Ca -0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2pan s VAL 160 Cb -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2pan s VAL 160 CO 0.03 0.49 0.01 -0.62 0.00 0.00 0.00 175.10 175.01 2pan s ASP 161 N 1.20 4.68 -0.40 3.32 3.68 -0.08 -1.08 116.67 127.99 2pan s ASP 161 Ca 0.02 -0.60 -0.03 0.00 2.13 0.00 0.00 52.55 54.08 2pan s ASP 161 Cb -0.14 -1.79 0.10 0.00 -1.45 0.00 0.00 42.92 39.64 2pan s ASP 161 CO -0.06 -0.11 0.18 -0.76 0.13 0.00 0.00 175.17 174.56 2pan s LEU 162 N 1.46 5.13 0.34 -1.34 1.43 0.11 -1.11 118.68 124.71 2pan s LEU 162 Ca 0.03 -1.97 -0.28 0.00 -1.03 0.00 0.00 54.13 50.88 2pan s LEU 162 Cb -0.16 -1.81 -0.12 0.00 0.03 0.00 0.00 46.19 44.13 2pan s LEU 162 CO -0.01 -0.51 1.31 -2.65 0.23 0.00 0.00 176.35 174.71 2pan n PRO 163 N 4.58 2.17 -0.18 1.29 -0.02 -1.26 -1.69 135.00 139.89 2pan n PRO 163 Ca -0.03 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.21 2pan n PRO 163 Cb 0.42 -2.35 0.08 0.00 -0.02 0.00 0.00 33.50 31.62 2pan n PRO 163 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2pan h PHE 164 N 2.58 -0.05 0.00 6.00 3.57 -0.96 -0.52 116.94 127.57 2pan h PHE 164 Ca -0.46 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.01 2pan h PHE 164 Cb 1.28 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2pan h PHE 164 CO 0.51 -0.14 -0.33 0.38 -2.23 0.00 0.00 178.31 176.49 2pan h ASP 165 N 0.11 0.00 -0.41 0.41 2.03 -1.88 -2.66 116.42 114.02 2pan h ASP 165 Ca 0.28 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.43 2pan h ASP 165 Cb 0.44 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 2pan h ASP 165 CO -0.48 0.33 -0.34 0.58 -1.03 0.00 0.00 179.24 178.31 2pan h VAL 166 N 0.00 1.27 -0.28 4.15 2.07 -1.49 -2.86 116.25 119.12 2pan h VAL 166 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 2pan h VAL 166 Cb 0.62 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2pan h VAL 166 CO 0.04 0.51 0.17 1.56 0.02 0.00 0.00 177.57 179.87 2pan h GLN 167 N 0.79 0.38 0.00 1.57 4.20 -1.02 -3.27 115.11 117.76 2pan h GLN 167 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2pan h GLN 167 Cb 0.93 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2pan h GLN 167 CO 0.09 0.30 -0.36 1.33 -0.67 0.00 0.00 178.83 179.52 2pan n VAL 168 N -4.86 0.11 -2.30 -0.54 0.24 -1.09 -2.57 118.33 107.32 2pan n VAL 168 Ca -0.02 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.34 61.83 2pan n VAL 168 Cb 0.05 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 2pan n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pan s ALA 169 N -3.04 3.08 0.18 2.33 0.00 -1.08 -4.73 121.76 118.50 2pan s ALA 169 Ca 0.11 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2pan s ALA 169 Cb 0.17 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2pan s ALA 169 CO 0.65 -0.55 0.99 -1.21 0.00 0.00 0.00 175.76 175.64 2pan s GLU 170 N -2.47 4.73 0.20 0.00 0.41 -1.26 -1.61 118.70 118.70 2pan s GLU 170 Ca 0.60 1.54 0.02 0.00 -0.41 0.00 0.00 54.97 56.72 2pan s GLU 170 Cb -0.29 -3.31 -0.05 0.00 -1.78 0.00 0.00 34.13 28.70 2pan s GLU 170 CO 0.36 0.29 0.00 0.96 -0.49 0.00 0.00 175.26 176.38 2pan s ILE 171 N -0.50 0.80 -0.21 -1.63 -4.36 -1.26 -4.91 121.20 109.13 2pan s ILE 171 Ca 0.45 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.71 2pan s ILE 171 Cb -0.26 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 2pan s ILE 171 CO 0.32 -0.41 0.28 -0.70 0.24 0.00 0.00 174.94 174.67 2pan s GLU 172 N -3.90 4.16 -0.18 0.37 2.56 -1.26 -4.29 118.70 116.15 2pan s GLU 172 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.97 55.14 2pan s GLU 172 Cb 0.06 -3.50 0.08 0.00 2.00 0.00 0.00 34.13 32.76 2pan s GLU 172 CO 0.06 0.08 0.41 0.12 -0.56 0.00 0.00 175.26 175.37 2pan s PHE 173 N 0.97 -0.71 -0.44 5.30 5.36 -0.68 -5.02 117.98 122.76 2pan s PHE 173 Ca 0.14 1.41 -0.12 0.00 -0.96 0.00 0.00 56.93 57.40 2pan s PHE 173 Cb -0.14 0.28 0.07 0.00 -0.34 0.00 0.00 43.02 42.90 2pan s PHE 173 CO 0.05 -0.42 0.31 0.34 -1.46 0.00 0.00 175.22 174.04 2pan s ASP 174 N 2.12 5.84 0.42 6.13 3.68 -1.26 -4.68 116.67 128.92 2pan s ASP 174 Ca -0.05 -1.41 0.16 0.00 2.13 0.00 0.00 52.55 53.38 2pan s ASP 174 Cb -0.11 -2.07 0.93 0.00 -1.45 0.00 0.00 42.92 40.23 2pan s ASP 174 CO -0.13 -0.57 1.91 1.55 0.13 0.00 0.00 175.17 178.06 2pan h PRO 175 N 8.55 0.00 -1.99 4.34 0.13 -1.99 -3.22 132.00 137.82 2pan h PRO 175 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2pan h PRO 175 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2pan h PRO 175 CO 0.80 0.27 0.00 -0.25 -0.23 0.00 0.00 178.00 178.59 2pan n ASP 176 N -4.06 0.06 -1.75 1.44 9.92 -1.26 -4.87 116.55 116.03 2pan n ASP 176 Ca -0.02 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.93 2pan n ASP 176 Cb 0.33 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2pan n ASP 176 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pan n TYR 178 N 1.27 -2.51 -3.99 1.24 9.36 -1.22 -5.19 117.16 116.12 2pan n TYR 178 Ca 0.00 1.36 -0.30 0.00 3.32 0.00 0.00 57.90 62.28 2pan n TYR 178 Cb 0.01 -2.12 -0.16 0.00 -0.63 0.00 0.00 39.34 36.44 2pan n TYR 178 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2pan s GLU 179 N -1.19 2.09 0.37 2.98 2.56 -1.26 -5.12 118.70 119.13 2pan s GLU 179 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 54.97 54.05 2pan s GLU 179 Cb 0.00 -2.19 -0.11 0.00 2.00 0.00 0.00 34.13 33.82 2pan s GLU 179 CO 0.00 -0.33 1.31 -2.30 -0.56 0.00 0.00 175.26 173.39 2pan n PRO 180 N 4.75 2.16 -1.96 4.30 -0.02 -1.26 -4.96 135.00 138.02 2pan n PRO 180 Ca -0.15 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 2pan n PRO 180 Cb 0.48 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2pan n PRO 180 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pan s LEU 181 N -1.35 3.49 0.46 2.45 1.43 -1.26 -4.99 118.68 118.91 2pan s LEU 181 Ca 0.56 1.94 -0.23 0.00 -1.03 0.00 0.00 54.13 55.37 2pan s LEU 181 Cb -0.54 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.06 2pan s LEU 181 CO 0.61 -1.36 1.18 -2.16 0.23 0.00 0.00 176.35 174.85 2pan s PRO 182 N -3.97 3.73 -0.11 1.29 0.04 -1.26 -4.91 135.00 129.80 2pan s PRO 182 Ca 0.66 1.81 -0.25 0.00 0.04 0.00 0.00 61.00 63.26 2pan s PRO 182 Cb -0.19 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 2pan s PRO 182 CO 0.37 -0.59 0.78 0.08 0.04 0.00 0.00 177.00 177.68 2pan s VAL 183 N -1.53 4.96 -0.11 -0.36 1.01 -1.26 -4.98 120.40 118.13 2pan s VAL 183 Ca 0.64 1.57 -0.23 0.00 0.00 0.00 0.00 61.98 63.95 2pan s VAL 183 Cb -0.29 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2pan s VAL 183 CO 0.36 0.14 0.71 -0.47 0.00 0.00 0.00 175.10 175.84 2pan s TYR 184 N 1.46 3.51 -0.13 5.22 5.04 -1.26 -5.02 117.35 126.17 2pan s TYR 184 Ca 0.39 1.19 -0.06 0.00 -2.44 0.00 0.00 57.07 56.16 2pan s TYR 184 Cb -0.17 -2.84 0.06 0.00 0.35 0.00 0.00 41.96 39.35 2pan s TYR 184 CO 0.16 -0.02 0.28 0.15 -1.34 0.00 0.00 175.55 174.79 2pan s LYS 185 N 1.24 0.21 0.55 4.97 1.02 -1.26 -1.54 119.74 124.94 2pan s LYS 185 Ca 0.36 0.68 -0.18 0.00 0.02 0.00 0.00 55.97 56.85 2pan s LYS 185 Cb -0.17 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.04 2pan s LYS 185 CO 0.16 -0.21 1.08 -1.25 -0.92 0.00 0.00 175.35 174.20 2pan s PRO 186 N 1.81 3.42 -0.00 -1.68 0.04 -1.26 -4.90 135.00 132.42 2pan s PRO 186 Ca -0.05 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.44 2pan s PRO 186 Cb -0.11 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2pan s PRO 186 CO -0.09 -0.76 -0.11 0.00 0.04 0.00 0.00 177.00 176.08 2pan s ALA 187 N -2.06 0.90 0.68 8.56 0.00 -1.26 -0.60 121.76 127.98 2pan s ALA 187 Ca 0.68 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 2pan s ALA 187 Cb -0.19 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2pan s ALA 187 CO 0.29 0.21 1.11 0.00 0.00 0.00 0.00 175.76 177.37 2pan s ALA 188 N -0.32 2.43 0.26 0.00 0.00 -1.26 -4.88 121.76 117.99 2pan s ALA 188 Ca 0.04 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 2pan s ALA 188 Cb -0.05 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2pan s ALA 188 CO -0.00 -1.36 0.48 -1.54 0.00 0.00 0.00 175.76 173.34 2pan s SER 189 N -2.67 6.39 0.00 0.00 1.04 -1.26 -4.95 113.70 112.25 2pan s SER 189 Ca 0.66 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2pan s SER 189 Cb -0.20 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2pan s SER 189 CO 0.43 -0.15 0.00 -1.14 0.98 0.00 0.00 173.24 173.37 2pan n ARG 190 N -0.97 0.00 0.00 4.02 0.63 -1.26 -2.38 116.66 116.71 2pan n ARG 190 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2pan n ARG 190 Cb 0.54 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.41 2pan n ARG 190 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2pan n GLN 192 N 0.68 0.00 -0.11 -0.14 6.02 -1.26 -1.12 117.38 121.46 2pan n GLN 192 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2pan n GLN 192 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 2pan n GLN 192 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2pan h ILE 193 N 0.00 1.27 -0.73 5.09 1.08 -1.86 -1.99 117.51 120.37 2pan h ILE 193 Ca 0.00 -1.55 0.05 0.00 -0.39 0.00 0.00 64.86 62.97 2pan h ILE 193 Cb 0.00 1.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 2pan h ILE 193 CO 0.00 0.52 0.44 -0.33 -0.69 0.00 0.00 178.15 178.09 2pan h GLU 194 N 0.73 0.81 -0.79 2.37 5.08 -1.39 -0.59 114.58 120.80 2pan h GLU 194 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2pan h GLU 194 Cb 0.96 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2pan h GLU 194 CO 0.09 0.54 0.46 -0.22 -1.00 0.00 0.00 179.01 178.88 2pan h LYS 195 N 0.84 1.09 -0.52 2.33 1.63 -1.76 0.23 116.57 120.41 2pan h LYS 195 Ca 0.31 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2pan h LYS 195 Cb 0.11 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2pan h LYS 195 CO -0.15 0.78 0.16 0.00 -3.45 0.00 0.00 179.45 176.79 2pan h ALA 196 N 1.24 0.68 -0.28 5.00 0.00 -0.79 -3.07 119.26 122.04 2pan h ALA 196 Ca 0.28 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2pan h ALA 196 Cb -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pan h ALA 196 CO -0.05 0.34 -0.55 0.28 0.00 0.00 0.00 179.25 179.27 2pan h VAL 197 N 0.71 1.28 0.00 0.00 2.07 -0.93 -0.95 116.25 118.43 2pan h VAL 197 Ca 0.17 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2pan h VAL 197 Cb 0.28 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2pan h VAL 197 CO -0.00 0.57 0.00 -0.62 0.02 0.00 0.00 177.57 177.53 2pan n GLU 198 N -4.00 0.00 0.00 1.57 1.02 0.05 -1.28 120.64 118.01 2pan n GLU 198 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2pan n GLU 198 Cb 0.63 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 2pan n GLU 198 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2pan n LEU 200 N 0.58 0.00 0.20 -4.62 7.94 -0.36 -3.47 117.00 117.28 2pan n LEU 200 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 2pan n LEU 200 Cb 0.00 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.38 2pan n LEU 200 CO 0.00 0.00 0.77 0.16 -1.11 0.00 0.00 177.39 177.21 2pan h ILE 201 N 0.00 1.08 -0.04 1.96 3.07 -1.47 -2.54 117.51 119.57 2pan h ILE 201 Ca 0.00 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.26 2pan h ILE 201 Cb 0.00 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 2pan h ILE 201 CO 0.00 0.31 0.00 0.00 -1.05 0.00 0.00 178.15 177.41 2pan n GLN 202 N -3.94 1.59 -2.68 0.16 10.64 -1.23 -4.78 117.38 117.14 2pan n GLN 202 Ca -0.02 -0.86 -0.41 0.00 -1.83 0.00 0.00 57.00 53.88 2pan n GLN 202 Cb 0.38 -1.46 -0.04 0.00 -0.86 0.00 0.00 30.24 28.26 2pan n GLN 202 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2pan s ALA 203 N -1.96 3.26 0.06 2.61 0.00 -0.96 -4.98 121.76 119.80 2pan s ALA 203 Ca 0.38 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 2pan s ALA 203 Cb 0.20 -3.30 -0.30 0.00 0.00 0.00 0.00 23.12 19.71 2pan s ALA 203 CO 0.32 -0.09 1.08 0.93 0.00 0.00 0.00 175.76 178.01 2pan h GLU 204 N 5.64 0.47 -2.05 0.00 5.08 -1.88 -3.41 114.58 118.44 2pan h GLU 204 Ca -0.43 -0.74 -0.52 0.00 -1.00 0.00 0.00 59.36 56.67 2pan h GLU 204 Cb 1.21 0.27 -0.40 0.00 0.50 0.00 0.00 28.75 30.33 2pan h GLU 204 CO 0.72 1.34 -1.07 0.54 -1.00 0.00 0.00 179.01 179.55 2pan n ARG 205 N -3.67 1.29 -2.81 2.33 1.74 -1.26 -4.92 116.66 109.35 2pan n ARG 205 Ca -0.13 -3.61 -0.32 0.00 -0.77 0.00 0.00 57.85 53.02 2pan n ARG 205 Cb 1.04 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 2pan n ARG 205 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2pan s PRO 206 N -2.23 4.06 0.02 5.56 0.04 -1.26 -1.67 135.00 139.52 2pan s PRO 206 Ca 0.40 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.37 2pan s PRO 206 Cb 0.28 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2pan s PRO 206 CO -0.09 -0.04 -0.11 0.14 0.04 0.00 0.00 177.00 176.94 2pan s VAL 207 N -2.25 0.85 -0.18 -0.36 -7.23 -1.26 -4.29 120.40 105.68 2pan s VAL 207 Ca 0.58 -0.76 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 2pan s VAL 207 Cb -0.10 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2pan s VAL 207 CO 0.20 0.02 0.37 -0.63 -0.31 0.00 0.00 175.10 174.75 2pan s ILE 208 N -0.68 5.23 -0.39 -0.62 1.01 -0.27 -0.38 121.20 125.11 2pan s ILE 208 Ca 0.00 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.22 2pan s ILE 208 Cb -0.06 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2pan s ILE 208 CO 0.00 0.31 0.24 -0.69 0.00 0.00 0.00 174.94 174.80 2pan s VAL 209 N 0.94 4.80 -0.32 2.92 1.01 -0.55 0.42 120.40 129.62 2pan s VAL 209 Ca 0.19 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 2pan s VAL 209 Cb -0.14 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2pan s VAL 209 CO 0.07 -0.26 0.25 0.00 0.00 0.00 0.00 175.10 175.15 2pan s ALA 210 N 1.59 3.51 0.56 5.51 0.00 -0.47 -1.39 121.76 131.08 2pan s ALA 210 Ca 0.03 -1.27 0.09 0.00 0.00 0.00 0.00 51.96 50.81 2pan s ALA 210 Cb -0.19 -2.64 0.08 0.00 0.00 0.00 0.00 23.12 20.36 2pan s ALA 210 CO 0.08 -0.87 0.73 0.20 0.00 0.00 0.00 175.76 175.90 2pan s GLY 211 N 1.73 1.82 0.40 0.00 0.00 -0.18 -1.43 107.32 109.66 2pan s GLY 211 Ca 0.07 -2.02 0.27 0.00 0.00 0.00 0.00 44.72 43.05 2pan s GLY 211 CO 0.11 -1.70 1.83 -1.33 0.00 0.00 0.00 173.10 172.00 2pan h GLY 212 N 0.28 0.00 1.71 0.20 0.00 -1.84 -1.62 103.07 101.80 2pan h GLY 212 Ca -0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2pan h GLY 212 CO 0.43 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.52 2pan h GLY 213 N 0.05 0.39 0.93 4.60 0.00 -1.11 0.45 103.07 108.38 2pan h GLY 213 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2pan h GLY 213 CO 0.00 0.23 0.08 -2.08 0.00 0.00 0.00 176.54 174.77 2pan h VAL 214 N 0.34 1.10 -0.65 4.60 2.07 -1.48 -0.81 116.25 121.42 2pan h VAL 214 Ca 0.07 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2pan h VAL 214 Cb 0.42 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2pan h VAL 214 CO 0.02 0.09 0.15 0.40 0.02 0.00 0.00 177.57 178.26 2pan h ILE 215 N 0.12 1.26 -0.92 4.57 2.04 -1.62 -1.58 117.51 121.38 2pan h ILE 215 Ca 0.05 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 65.00 2pan h ILE 215 Cb 0.08 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2pan h ILE 215 CO -0.01 0.36 0.60 -1.13 0.00 0.00 0.00 178.15 177.97 2pan h ASN 216 N 0.97 0.99 0.63 1.72 -0.73 -0.74 -1.94 115.58 116.47 2pan h ASN 216 Ca 0.20 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.37 2pan h ASN 216 Cb 0.37 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2pan h ASN 216 CO 0.00 0.67 -0.01 0.00 -0.37 0.00 0.00 177.43 177.73 2pan n ALA 217 N -2.36 2.48 -3.21 1.57 0.00 -0.33 -4.93 120.51 113.74 2pan n ALA 217 Ca 0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2pan n ALA 217 Cb 0.10 -1.48 0.07 0.00 0.00 0.00 0.00 19.45 18.14 2pan n ALA 217 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pan n ASP 218 N -1.31 -2.93 -1.16 0.00 2.03 -0.73 -4.62 116.55 107.82 2pan n ASP 218 Ca 0.13 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.97 2pan n ASP 218 Cb 0.26 -4.19 0.13 0.00 -0.72 0.00 0.00 41.12 36.60 2pan n ASP 218 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pan n ALA 219 N -3.77 3.53 -0.12 -1.67 0.00 -0.65 -4.84 120.51 112.99 2pan n ALA 219 Ca -0.17 -3.14 -0.10 0.00 0.00 0.00 0.00 53.44 50.03 2pan n ALA 219 Cb 0.61 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 2pan n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pan h ALA 220 N 1.29 0.49 -0.64 0.00 0.00 -1.84 -2.22 119.26 116.34 2pan h ALA 220 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pan h ALA 220 Cb 1.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2pan h ALA 220 CO 0.15 0.24 0.42 0.00 0.00 0.00 0.00 179.25 180.06 2pan h ALA 221 N 0.88 0.81 -0.29 0.00 0.00 -1.88 -2.03 119.26 116.75 2pan h ALA 221 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2pan h ALA 221 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pan h ALA 221 CO 0.02 0.25 -0.26 -0.07 0.00 0.00 0.00 179.25 179.19 2pan h LEU 222 N 0.87 0.57 -0.02 0.00 3.38 -1.92 -1.27 115.31 116.92 2pan h LEU 222 Ca 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pan h LEU 222 Cb -0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2pan h LEU 222 CO -0.05 0.81 0.00 0.25 0.09 0.00 0.00 178.44 179.55 2pan h LEU 223 N 0.49 0.03 -0.55 1.67 5.85 -1.16 -0.62 115.31 121.03 2pan h LEU 223 Ca 0.07 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2pan h LEU 223 Cb 0.71 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 2pan h LEU 223 CO 0.05 0.27 0.22 -0.61 -0.34 0.00 0.00 178.44 178.03 2pan h GLN 224 N -0.20 0.39 -0.62 1.25 4.15 -1.31 -1.10 115.11 117.67 2pan h GLN 224 Ca 0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2pan h GLN 224 Cb 0.25 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2pan h GLN 224 CO 0.00 0.26 0.36 0.37 -1.93 0.00 0.00 178.83 177.89 2pan h GLN 225 N 0.41 0.85 -0.66 1.69 4.15 -1.07 -0.18 115.11 120.29 2pan h GLN 225 Ca 0.27 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 2pan h GLN 225 Cb 0.29 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2pan h GLN 225 CO -0.26 0.62 0.18 0.35 -1.93 0.00 0.00 178.83 177.80 2pan h PHE 226 N 0.84 1.08 -0.52 3.99 3.57 -0.70 -0.57 116.94 124.63 2pan h PHE 226 Ca 0.22 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2pan h PHE 226 Cb 0.00 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2pan h PHE 226 CO -0.02 0.88 0.15 0.00 -2.23 0.00 0.00 178.31 177.10 2pan h ALA 227 N 1.07 0.69 -0.30 2.41 0.00 -0.95 -2.21 119.26 119.97 2pan h ALA 227 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pan h ALA 227 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2pan h ALA 227 CO -0.00 0.36 0.17 0.93 0.00 0.00 0.00 179.25 180.70 2pan h GLU 228 N 0.72 0.41 -0.40 0.00 5.08 -0.81 0.25 114.58 119.83 2pan h GLU 228 Ca 0.17 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2pan h GLU 228 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2pan h GLU 228 CO -0.00 0.33 0.05 -0.07 -1.00 0.00 0.00 179.01 178.33 2pan h LEU 229 N 0.37 0.57 0.00 1.33 3.38 -1.01 -2.96 115.31 116.99 2pan h LEU 229 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pan h LEU 229 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2pan h LEU 229 CO -0.02 0.60 -0.86 0.35 0.09 0.00 0.00 178.44 178.61 2pan n THR 230 N -4.29 0.03 -3.61 0.22 -2.24 -0.84 -4.99 114.28 98.57 2pan n THR 230 Ca 0.02 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 2pan n THR 230 Cb 0.23 0.57 0.07 0.00 -2.10 0.00 0.00 70.33 69.10 2pan n THR 230 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pan n SER 231 N -1.61 -5.21 -4.44 3.42 2.88 0.84 -4.87 113.62 104.63 2pan n SER 231 Ca 0.04 -0.59 -0.35 0.00 -1.33 0.00 0.00 58.87 56.64 2pan n SER 231 Cb 0.36 -4.90 -0.13 0.00 -0.75 0.00 0.00 64.21 58.80 2pan n SER 231 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pan s VAL 232 N -3.34 3.91 0.57 2.46 1.01 -0.94 -4.79 120.40 119.28 2pan s VAL 232 Ca 0.46 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2pan s VAL 232 Cb -0.21 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2pan s VAL 232 CO 0.74 0.43 1.30 -2.65 0.00 0.00 0.00 175.10 174.93 2pan n PRO 233 N 4.20 1.50 -4.65 2.72 -0.02 -1.26 -4.76 135.00 132.73 2pan n PRO 233 Ca -0.17 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 2pan n PRO 233 Cb 0.52 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 2pan n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pan s VAL 234 N -1.32 3.37 -0.36 -1.45 1.01 0.93 -1.12 120.40 121.46 2pan s VAL 234 Ca 0.74 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2pan s VAL 234 Cb -0.41 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.62 2pan s VAL 234 CO 0.47 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.58 2pan s ILE 235 N 0.19 3.15 0.36 2.22 -1.09 0.17 -0.82 121.20 125.38 2pan s ILE 235 Ca -0.06 -1.74 -0.25 0.00 -2.23 0.00 0.00 60.65 56.37 2pan s ILE 235 Cb -0.15 -3.01 -0.09 0.00 -1.58 0.00 0.00 42.46 37.63 2pan s ILE 235 CO 0.04 -0.42 1.02 -2.16 -1.23 0.00 0.00 174.94 172.19 2pan s PRO 236 N 1.19 4.36 1.07 2.79 0.04 -1.25 -1.37 135.00 141.84 2pan s PRO 236 Ca 0.02 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 2pan s PRO 236 Cb -0.21 -2.71 0.22 0.00 0.04 0.00 0.00 34.50 31.84 2pan s PRO 236 CO -0.03 0.04 1.10 0.95 0.04 0.00 0.00 177.00 179.10 2pan s THR 237 N -1.58 1.89 -0.62 1.26 -4.23 -0.52 -4.47 115.64 107.37 2pan s THR 237 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2pan s THR 237 Cb -0.22 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2pan s THR 237 CO 0.28 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.25 2pan n LEU 238 N -4.38 0.00 0.00 4.79 7.94 -1.26 -1.02 117.00 123.07 2pan n LEU 238 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2pan n LEU 238 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2pan n LEU 238 CO 0.54 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.43 2pan n GLY 240 N 0.59 0.00 3.69 -3.96 0.00 -1.26 -4.95 105.19 99.30 2pan n GLY 240 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2pan n GLY 240 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2pan n TRP 241 N 0.00 2.17 0.00 1.61 -0.00 -0.19 -1.95 117.44 119.08 2pan n TRP 241 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.50 57.77 2pan n TRP 241 Cb 0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 28.76 2pan n TRP 241 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2pan n GLY 242 N 4.16 1.81 0.15 5.87 0.00 -1.26 -4.57 105.19 111.34 2pan n GLY 242 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 2pan n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pan s ILE 244 N -3.30 0.93 0.51 0.00 2.07 -1.26 -4.50 121.20 115.64 2pan s ILE 244 Ca 0.06 -0.45 -0.23 0.00 -1.41 0.00 0.00 60.65 58.62 2pan s ILE 244 Cb 0.10 -0.81 -0.06 0.00 0.13 0.00 0.00 42.46 41.82 2pan s ILE 244 CO 0.48 0.28 1.31 -2.84 -1.91 0.00 0.00 174.94 172.26 2pan s PRO 245 N 0.11 3.39 0.51 3.50 0.02 -1.26 -4.88 135.00 136.39 2pan s PRO 245 Ca -0.02 2.14 0.21 0.00 0.02 0.00 0.00 61.00 63.34 2pan s PRO 245 Cb -0.09 -2.36 1.33 0.00 0.02 0.00 0.00 34.50 33.40 2pan s PRO 245 CO 0.01 -0.96 2.10 -0.44 -0.33 0.00 0.00 177.00 177.37 2pan h ASP 246 N 1.75 0.00 -0.11 2.53 5.19 -1.81 -1.97 116.42 122.02 2pan h ASP 246 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2pan h ASP 246 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2pan h ASP 246 CO 0.59 0.10 0.00 -0.90 -3.12 0.00 0.00 179.24 175.90 2pan n ASP 247 N -4.11 1.51 -4.77 6.45 5.75 -1.26 -4.89 116.55 115.24 2pan n ASP 247 Ca -0.03 -1.61 -0.39 0.00 -0.01 0.00 0.00 54.79 52.75 2pan n ASP 247 Cb 0.18 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2pan n ASP 247 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2pan s HIS 248 N -1.87 2.77 0.35 2.11 2.46 -0.74 -4.93 115.29 115.43 2pan s HIS 248 Ca 0.34 1.43 0.28 0.00 0.47 0.00 0.00 55.06 57.58 2pan s HIS 248 Cb 0.19 -3.64 1.38 0.00 -0.13 0.00 0.00 32.58 30.38 2pan s HIS 248 CO 0.29 -2.09 2.03 1.05 -2.47 0.00 0.00 174.74 173.55 2pan h GLU 249 N 2.44 0.00 -4.36 2.88 4.11 -1.90 -3.46 114.58 114.29 2pan h GLU 249 Ca -0.50 0.00 -0.75 0.00 0.07 0.00 0.00 59.36 58.19 2pan h GLU 249 Cb 1.25 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.28 2pan h GLU 249 CO 0.62 0.13 0.53 -0.51 0.07 0.00 0.00 179.01 179.85 2pan s LEU 250 N -7.03 5.90 0.00 3.06 1.43 -1.26 -4.92 118.68 115.86 2pan s LEU 250 Ca -0.02 -2.55 0.00 0.00 -1.03 0.00 0.00 54.13 50.53 2pan s LEU 250 Cb 0.12 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2pan s LEU 250 CO 0.58 -0.76 0.00 0.00 0.23 0.00 0.00 176.35 176.41 2pan n ALA 252 N 5.02 0.43 0.00 4.21 0.00 -0.00 -0.05 120.51 130.12 2pan n ALA 252 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2pan n ALA 252 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2pan n ALA 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 253 N 0.00 0.83 3.60 0.00 0.00 -1.26 -3.89 105.19 104.48 2pan n GLY 253 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 2pan n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 255 N 0.00 0.00 -5.00 1.61 1.01 -1.26 -3.81 120.40 112.95 2pan s VAL 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2pan s VAL 255 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2pan s VAL 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2pan n GLY 256 N 1.77 -0.19 0.09 4.51 0.00 -1.24 -4.67 105.19 105.46 2pan n GLY 256 Ca -0.13 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.40 2pan n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pan n LEU 257 N 0.00 0.70 0.05 0.99 4.77 0.36 -4.73 117.00 119.14 2pan n LEU 257 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2pan n LEU 257 Cb 0.00 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2pan n LEU 257 CO 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.15 2pan n GLN 258 N -2.77 0.00 -1.84 3.23 6.02 -1.26 -1.92 117.38 118.84 2pan n GLN 258 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 2pan n GLN 258 Cb 0.78 -0.06 -0.00 0.00 1.02 0.00 0.00 30.24 31.97 2pan n GLN 258 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2pan n THR 259 N -2.90 3.81 -4.08 5.09 -2.24 -1.26 -4.87 114.28 107.83 2pan n THR 259 Ca 0.00 -3.34 -0.10 0.00 -2.27 0.00 0.00 64.05 58.34 2pan n THR 259 Cb 0.00 -2.53 -0.08 0.00 -2.10 0.00 0.00 70.33 65.62 2pan n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pan s ALA 260 N 2.28 0.44 0.18 6.98 0.00 -1.26 -4.59 121.76 125.80 2pan s ALA 260 Ca 0.48 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 51.26 2pan s ALA 260 Cb 0.14 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.33 2pan s ALA 260 CO -0.06 -0.67 0.09 -1.01 0.00 0.00 0.00 175.76 174.10 2pan s HIS 261 N -4.06 3.02 0.20 0.00 3.76 -1.26 -4.74 115.29 112.20 2pan s HIS 261 Ca 0.27 -0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 55.02 2pan s HIS 261 Cb 0.04 -1.44 0.11 0.00 1.11 0.00 0.00 32.58 32.40 2pan s HIS 261 CO 0.07 0.52 1.72 0.00 -0.85 0.00 0.00 174.74 176.21 2pan h ARG 262 N 2.39 1.11 -0.40 1.40 3.08 -1.97 -2.39 114.38 117.61 2pan h ARG 262 Ca -0.47 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.20 2pan h ARG 262 Cb 1.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2pan h ARG 262 CO 0.61 0.97 -0.25 0.10 -1.07 0.00 0.00 179.97 180.33 2pan h TYR 263 N 1.05 0.94 0.09 3.04 -0.00 -1.84 -2.38 116.97 117.87 2pan h TYR 263 Ca 0.22 -0.23 0.01 0.00 0.00 0.00 0.00 58.73 58.74 2pan h TYR 263 Cb 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 36.73 36.83 2pan h TYR 263 CO 0.03 0.98 -0.15 0.78 -0.00 0.00 0.00 178.16 179.80 2pan h GLY 264 N 0.94 -0.26 1.18 0.10 0.00 -1.64 -0.42 103.07 102.96 2pan h GLY 264 Ca 0.09 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2pan h GLY 264 CO 0.06 -0.15 0.45 3.43 0.00 0.00 0.00 176.54 180.34 2pan h ASN 265 N -0.29 0.96 -0.20 0.19 4.21 -1.42 -1.83 115.58 117.20 2pan h ASN 265 Ca 0.02 -0.07 -0.18 0.00 1.21 0.00 0.00 56.30 57.28 2pan h ASN 265 Cb 0.31 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.26 2pan h ASN 265 CO -0.08 0.76 -0.55 0.00 -1.29 0.00 0.00 177.43 176.27 2pan h ALA 266 N 1.40 0.52 -0.39 -0.83 0.00 -1.24 -1.65 119.26 117.09 2pan h ALA 266 Ca 0.28 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2pan h ALA 266 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2pan h ALA 266 CO -0.05 0.68 0.17 1.15 0.00 0.00 0.00 179.25 181.21 2pan h THR 267 N 0.61 1.18 -0.47 0.00 2.02 -0.88 -1.24 112.91 114.13 2pan h THR 267 Ca 0.01 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2pan h THR 267 Cb 1.15 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2pan h THR 267 CO 0.12 0.20 0.18 0.25 0.37 0.00 0.00 175.52 176.63 2pan h LEU 268 N 0.48 0.66 -2.02 2.58 6.46 -1.27 -0.86 115.31 121.35 2pan h LEU 268 Ca 0.13 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 2pan h LEU 268 Cb 0.15 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2pan h LEU 268 CO -0.01 0.66 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.33 2pan h LEU 269 N 0.62 0.00 0.00 2.25 3.38 -1.18 -2.12 115.31 118.27 2pan h LEU 269 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2pan h LEU 269 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2pan h LEU 269 CO -0.01 0.07 -0.71 0.00 0.09 0.00 0.00 178.44 177.88 2pan h ALA 270 N 1.93 0.70 -2.34 1.53 0.00 -0.70 -3.48 119.26 116.89 2pan h ALA 270 Ca -0.00 -0.25 -0.51 0.00 0.00 0.00 0.00 54.91 54.14 2pan h ALA 270 Cb 0.31 0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.25 2pan h ALA 270 CO 0.01 0.30 0.34 -1.54 0.00 0.00 0.00 179.25 178.36 2pan s SER 271 N -5.89 4.88 -0.32 0.00 1.04 -0.37 -4.97 113.70 108.07 2pan s SER 271 Ca 0.02 1.78 0.08 0.00 0.48 0.00 0.00 55.95 58.30 2pan s SER 271 Cb 0.08 -2.52 0.50 0.00 0.10 0.00 0.00 66.02 64.18 2pan s SER 271 CO 0.75 -1.78 1.47 -0.90 0.98 0.00 0.00 173.24 173.76 2pan n ASP 272 N -3.23 3.17 -3.60 7.02 5.75 -0.67 -4.83 116.55 120.16 2pan n ASP 272 Ca 0.09 -3.80 -0.18 0.00 -0.01 0.00 0.00 54.79 50.89 2pan n ASP 272 Cb 0.53 -0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 39.85 2pan n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pan s VAL 274 N -3.56 -0.29 -0.80 2.12 1.01 -0.23 -1.84 120.40 116.81 2pan s VAL 274 Ca 0.47 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 2pan s VAL 274 Cb 0.42 -0.48 0.19 0.00 0.00 0.00 0.00 36.38 36.51 2pan s VAL 274 CO -0.00 -0.03 0.79 0.12 0.00 0.00 0.00 175.10 175.98 2pan s PHE 275 N 2.31 3.58 -0.30 5.22 5.36 0.49 -1.27 117.98 133.37 2pan s PHE 275 Ca 0.04 -1.79 -0.25 0.00 -0.96 0.00 0.00 56.93 53.97 2pan s PHE 275 Cb -0.14 -3.90 0.01 0.00 -0.34 0.00 0.00 43.02 38.65 2pan s PHE 275 CO -0.09 -1.08 0.88 0.20 -1.46 0.00 0.00 175.22 173.67 2pan s GLY 276 N 2.59 1.67 -0.22 13.12 0.00 0.74 -1.48 107.32 123.73 2pan s GLY 276 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.65 2pan s GLY 276 CO -0.07 1.92 -0.10 -0.42 0.00 0.00 0.00 173.10 174.43 2pan s ILE 277 N 3.15 1.79 -0.56 0.90 1.01 -0.49 -0.28 121.20 126.72 2pan s ILE 277 Ca 0.37 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2pan s ILE 277 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2pan s ILE 277 CO 0.12 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2pan n GLY 278 N 4.60 0.76 3.76 6.18 0.00 -0.38 -1.01 105.19 119.10 2pan n GLY 278 Ca -0.14 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 2pan n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pan s ASN 279 N -2.60 5.25 0.56 1.61 4.22 -1.26 -0.54 114.94 122.18 2pan s ASN 279 Ca 0.00 -0.27 0.07 0.00 -2.14 0.00 0.00 52.86 50.52 2pan s ASN 279 Cb 0.00 -1.27 0.06 0.00 1.28 0.00 0.00 41.25 41.32 2pan s ASN 279 CO 0.00 0.04 0.57 0.00 -2.04 0.00 0.00 177.10 175.68 2pan s ARG 280 N -3.28 2.28 -0.87 3.55 1.70 -1.26 -4.85 118.95 116.21 2pan s ARG 280 Ca 0.31 -1.86 -0.00 0.00 -0.47 0.00 0.00 55.73 53.70 2pan s ARG 280 Cb -0.09 -2.34 0.24 0.00 -0.57 0.00 0.00 34.95 32.19 2pan s ARG 280 CO 0.22 -0.73 0.89 1.19 -1.08 0.00 0.00 175.30 175.80 2pan n PHE 281 N -1.98 3.75 -1.80 5.89 3.01 -1.26 -5.04 117.46 120.03 2pan n PHE 281 Ca 0.06 -3.88 -0.41 0.00 1.01 0.00 0.00 57.45 54.23 2pan n PHE 281 Cb 0.63 -1.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.07 2pan n PHE 281 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pan s ALA 282 N -1.87 3.62 0.19 4.37 0.00 -1.26 -4.73 121.76 122.08 2pan s ALA 282 Ca 0.31 1.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.80 2pan s ALA 282 Cb -0.00 -3.62 0.34 0.00 0.00 0.00 0.00 23.12 19.84 2pan s ALA 282 CO -0.06 -1.03 1.03 -1.71 0.00 0.00 0.00 175.76 173.98 2pan n ASN 283 N 0.96 -0.20 -0.34 0.00 4.05 -1.26 -0.58 115.26 117.87 2pan n ASN 283 Ca 0.03 1.13 0.13 0.00 0.45 0.00 0.00 54.58 56.32 2pan n ASN 283 Cb 0.39 -0.36 0.40 0.00 1.23 0.00 0.00 39.78 41.44 2pan n ASN 283 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2pan n ARG 284 N -5.03 1.14 0.07 1.20 1.74 -1.26 -2.09 116.66 112.43 2pan n ARG 284 Ca 0.12 -0.69 -0.23 0.00 -0.77 0.00 0.00 57.85 56.27 2pan n ARG 284 Cb 0.37 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.17 2pan n ARG 284 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pan h HIS 285 N 1.69 0.72 0.05 -1.55 2.76 -1.11 0.10 115.15 117.80 2pan h HIS 285 Ca 0.00 -0.52 -0.36 0.00 -2.20 0.00 0.00 60.37 57.29 2pan h HIS 285 Cb 0.53 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 2pan h HIS 285 CO 0.00 1.64 -2.15 0.25 -1.30 0.00 0.00 177.93 176.37 2pan n THR 286 N -3.67 1.61 -4.50 6.26 -2.24 -0.70 -3.65 114.28 107.39 2pan n THR 286 Ca -0.24 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2pan n THR 286 Cb 1.05 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2pan n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pan n GLY 287 N 1.96 1.21 3.67 3.38 0.00 -0.89 -4.39 105.19 110.14 2pan n GLY 287 Ca -0.34 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2pan n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pan s SER 288 N -4.00 6.57 0.31 1.61 0.01 -1.26 -4.89 113.70 112.04 2pan s SER 288 Ca 0.00 2.49 0.04 0.00 1.31 0.00 0.00 55.95 59.79 2pan s SER 288 Cb 0.00 -2.55 0.66 0.00 0.21 0.00 0.00 66.02 64.34 2pan s SER 288 CO 0.00 -0.95 1.85 0.58 0.41 0.00 0.00 173.24 175.13 2pan h VAL 289 N 5.20 0.89 -0.94 3.43 2.07 -1.95 -1.50 116.25 123.45 2pan h VAL 289 Ca -0.44 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2pan h VAL 289 Cb 1.20 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2pan h VAL 289 CO 0.94 0.16 0.62 -0.33 0.02 0.00 0.00 177.57 178.98 2pan h GLU 290 N 0.88 1.13 -0.10 1.57 3.07 -1.95 -1.42 114.58 117.76 2pan h GLU 290 Ca 0.48 -0.07 -0.23 0.00 -0.50 0.00 0.00 59.36 59.04 2pan h GLU 290 Cb 0.58 -0.26 0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2pan h GLU 290 CO -0.25 0.75 -0.84 0.87 -1.40 0.00 0.00 179.01 178.14 2pan h LYS 291 N 1.17 0.71 -0.17 2.33 1.57 -1.66 -2.64 116.57 117.87 2pan h LYS 291 Ca 0.38 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2pan h LYS 291 Cb 0.05 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2pan h LYS 291 CO -0.12 1.23 0.01 -0.92 -0.57 0.00 0.00 179.45 179.08 2pan h TYR 292 N 0.47 0.24 0.00 -1.35 3.20 -0.92 -3.18 116.97 115.42 2pan h TYR 292 Ca -0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2pan h TYR 292 Cb 1.47 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.67 2pan h TYR 292 CO 0.08 0.25 -1.20 2.41 -1.64 0.00 0.00 178.16 178.07 2pan n THR 293 N -4.40 0.00 -1.69 1.81 -1.04 -0.58 -4.97 114.28 103.42 2pan n THR 293 Ca -0.00 -0.11 -0.53 0.00 -2.04 0.00 0.00 64.05 61.37 2pan n THR 293 Cb 0.16 0.76 -0.06 0.00 -1.82 0.00 0.00 70.33 69.37 2pan n THR 293 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2pan n GLU 294 N -1.67 1.62 -3.26 -2.82 2.13 -1.00 -2.08 120.64 113.56 2pan n GLU 294 Ca 0.02 0.59 -0.23 0.00 0.66 0.00 0.00 57.16 58.21 2pan n GLU 294 Cb 0.38 -2.34 0.05 0.00 0.27 0.00 0.00 31.44 29.81 2pan n GLU 294 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pan n GLY 295 N 4.08 -0.50 3.17 8.31 0.00 -1.26 -4.98 105.19 114.01 2pan n GLY 295 Ca 0.24 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 2pan n GLY 295 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pan s ARG 296 N -5.96 0.31 0.31 1.61 3.52 -0.88 -4.69 118.95 113.17 2pan s ARG 296 Ca 0.42 0.67 -0.14 0.00 -0.13 0.00 0.00 55.73 56.55 2pan s ARG 296 Cb -0.19 -0.07 -0.09 0.00 -1.56 0.00 0.00 34.95 33.05 2pan s ARG 296 CO 0.53 -0.16 0.71 0.15 -0.81 0.00 0.00 175.30 175.71 2pan s LYS 297 N 1.32 3.96 -0.10 5.12 1.02 -0.77 -4.93 119.74 125.37 2pan s LYS 297 Ca -0.09 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.51 2pan s LYS 297 Cb -0.09 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 2pan s LYS 297 CO -0.11 0.17 -0.13 0.42 -0.92 0.00 0.00 175.35 174.79 2pan s ILE 298 N -1.98 1.29 -0.06 2.17 -1.09 -1.26 -1.07 121.20 119.20 2pan s ILE 298 Ca 0.53 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2pan s ILE 298 Cb -0.10 -1.20 -0.03 0.00 -1.58 0.00 0.00 42.46 39.54 2pan s ILE 298 CO 0.19 0.40 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.53 2pan s VAL 299 N 1.07 3.68 -0.11 2.92 1.01 -0.40 -0.74 120.40 127.83 2pan s VAL 299 Ca -0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2pan s VAL 299 Cb -0.15 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.77 2pan s VAL 299 CO -0.02 0.59 0.05 -2.28 0.00 0.00 0.00 175.10 173.43 2pan s HIS 300 N -0.82 0.48 -0.23 5.22 2.46 -1.26 -0.19 115.29 120.95 2pan s HIS 300 Ca 0.13 -0.25 -0.04 0.00 0.47 0.00 0.00 55.06 55.37 2pan s HIS 300 Cb -0.11 -0.74 -0.00 0.00 -0.13 0.00 0.00 32.58 31.59 2pan s HIS 300 CO 0.02 -0.40 -0.04 0.42 -2.47 0.00 0.00 174.74 172.27 2pan s ILE 301 N 2.04 3.37 0.01 0.89 1.01 0.62 -0.01 121.20 129.13 2pan s ILE 301 Ca 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 2pan s ILE 301 Cb -0.14 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 2pan s ILE 301 CO -0.06 0.38 0.05 -0.62 0.00 0.00 0.00 174.94 174.68 2pan s ASP 302 N 1.47 0.14 0.46 3.58 -1.08 -0.85 -1.25 116.67 119.14 2pan s ASP 302 Ca 0.05 -0.36 0.26 0.00 -0.52 0.00 0.00 52.55 51.98 2pan s ASP 302 Cb -0.15 0.15 0.89 0.00 -1.46 0.00 0.00 42.92 42.35 2pan s ASP 302 CO -0.03 -0.33 1.81 -0.29 0.52 0.00 0.00 175.17 176.84 2pan h ILE 303 N 4.47 0.31 -3.63 4.11 2.10 -1.74 0.11 117.51 123.25 2pan h ILE 303 Ca -0.31 -1.00 -0.68 0.00 1.08 0.00 0.00 64.86 63.95 2pan h ILE 303 Cb 1.20 1.78 -0.24 0.00 -1.09 0.00 0.00 36.82 38.47 2pan h ILE 303 CO 0.41 0.14 -0.59 -0.70 -1.08 0.00 0.00 178.15 176.33 2pan s GLU 304 N -3.52 3.21 0.23 2.19 2.56 -1.26 -4.60 118.70 117.51 2pan s GLU 304 Ca 0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 54.97 54.12 2pan s GLU 304 Cb 0.09 -3.47 0.37 0.00 2.00 0.00 0.00 34.13 33.12 2pan s GLU 304 CO 0.62 -0.43 1.68 -1.35 -0.56 0.00 0.00 175.26 175.22 2pan h PRO 305 N 8.29 0.19 0.00 4.30 0.11 -1.97 -2.09 132.00 140.83 2pan h PRO 305 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2pan h PRO 305 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pan h PRO 305 CO 0.61 0.13 0.00 2.41 -0.21 0.00 0.00 178.00 180.94 2pan n THR 306 N -5.21 0.16 0.58 -1.15 -1.04 -1.26 -1.83 114.28 104.54 2pan n THR 306 Ca 0.11 0.04 0.12 0.00 -2.04 0.00 0.00 64.05 62.28 2pan n THR 306 Cb 0.40 -0.72 0.13 0.00 -1.82 0.00 0.00 70.33 68.32 2pan n THR 306 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pan n GLN 307 N -1.12 0.28 -3.21 -2.82 1.13 -0.79 -4.54 117.38 106.32 2pan n GLN 307 Ca 0.13 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.82 2pan n GLN 307 Cb 0.11 -1.65 -0.08 0.00 0.11 0.00 0.00 30.24 28.73 2pan n GLN 307 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2pan s ILE 308 N -3.17 4.96 0.00 5.09 1.01 -0.76 -3.84 121.20 124.49 2pan s ILE 308 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2pan s ILE 308 Cb 0.14 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2pan s ILE 308 CO 0.75 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2pan n GLY 309 N 5.03 0.69 0.24 6.18 0.00 -1.22 -4.99 105.19 111.12 2pan n GLY 309 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2pan n GLY 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pan h ARG 310 N 4.42 0.79 0.00 1.61 2.43 -1.80 -3.39 114.38 118.45 2pan h ARG 310 Ca 0.00 -0.51 -0.16 0.00 -0.81 0.00 0.00 59.98 58.50 2pan h ARG 310 Cb 0.00 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2pan h ARG 310 CO 0.00 1.13 -1.62 0.28 -1.51 0.00 0.00 179.97 178.26 2pan n VAL 311 N -3.99 0.62 -3.97 0.20 0.31 -1.26 -5.05 118.33 105.19 2pan n VAL 311 Ca -0.04 -0.25 -0.08 0.00 -0.01 0.00 0.00 64.34 63.96 2pan n VAL 311 Cb 0.63 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.59 2pan n VAL 311 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2pan s LEU 312 N -5.56 1.95 -0.37 7.52 -0.00 -1.26 -4.99 118.68 115.97 2pan s LEU 312 Ca -0.14 -0.73 -0.20 0.00 -0.00 0.00 0.00 54.13 53.06 2pan s LEU 312 Cb 0.04 0.56 0.01 0.00 -0.00 0.00 0.00 46.19 46.80 2pan s LEU 312 CO 0.26 -0.59 0.62 0.00 -0.00 0.00 0.00 176.35 176.64 2pan s PRO 314 N 2.69 3.75 0.33 0.00 0.04 -1.26 -4.96 135.00 135.59 2pan s PRO 314 Ca 0.23 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.37 2pan s PRO 314 Cb -0.15 -2.10 0.60 0.00 0.04 0.00 0.00 34.50 32.89 2pan s PRO 314 CO 0.15 -0.44 1.80 -0.44 0.04 0.00 0.00 177.00 178.11 2pan h ASP 315 N 0.73 0.25 0.00 6.66 3.32 -1.33 -3.43 116.42 122.63 2pan h ASP 315 Ca -0.47 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2pan h ASP 315 Cb 1.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2pan h ASP 315 CO 0.60 0.53 0.00 -0.11 -1.72 0.00 0.00 179.24 178.54 2pan n LEU 316 N -4.14 0.00 -1.30 1.55 7.94 -1.11 -5.03 117.00 114.91 2pan n LEU 316 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2pan n LEU 316 Cb 0.38 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2pan n LEU 316 CO 0.40 -0.21 -0.16 0.61 -1.11 0.00 0.00 177.39 176.92 2pan n GLY 317 N 3.65 -3.95 3.01 -3.96 0.00 -1.25 -4.92 105.19 97.77 2pan n GLY 317 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2pan n GLY 317 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 318 N -0.19 0.89 -0.36 -0.61 1.01 0.99 -4.94 121.20 118.00 2pan s ILE 318 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 2pan s ILE 318 Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.67 2pan s ILE 318 CO 0.00 0.28 0.67 -0.69 0.00 0.00 0.00 174.94 175.20 2pan s VAL 319 N 0.32 4.85 -0.18 2.92 1.01 -1.26 -2.00 120.40 126.06 2pan s VAL 319 Ca -0.06 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 2pan s VAL 319 Cb -0.11 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.27 2pan s VAL 319 CO 0.01 -0.35 0.93 -0.55 0.00 0.00 0.00 175.10 175.13 2pan s SER 320 N 1.81 -0.47 0.50 3.32 0.15 0.39 -4.05 113.70 115.34 2pan s SER 320 Ca 0.26 0.67 -0.23 0.00 0.70 0.00 0.00 55.95 57.35 2pan s SER 320 Cb -0.14 0.60 -0.06 0.00 -1.71 0.00 0.00 66.02 64.70 2pan s SER 320 CO 0.15 -0.33 1.39 -0.62 1.20 0.00 0.00 173.24 175.04 2pan s ASP 321 N -0.63 5.56 0.24 5.45 2.15 0.23 -2.15 116.67 127.52 2pan s ASP 321 Ca -0.02 2.85 0.07 0.00 0.43 0.00 0.00 52.55 55.88 2pan s ASP 321 Cb -0.02 -2.64 0.26 0.00 -0.30 0.00 0.00 42.92 40.22 2pan s ASP 321 CO 0.01 -1.38 1.56 0.00 -0.17 0.00 0.00 175.17 175.19 2pan h ALA 322 N 1.88 0.87 -0.17 3.66 0.00 -1.91 -2.17 119.26 121.43 2pan h ALA 322 Ca -0.51 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 53.71 2pan h ALA 322 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pan h ALA 322 CO 0.59 0.79 -0.33 -0.22 0.00 0.00 0.00 179.25 180.08 2pan h LYS 323 N 0.07 0.53 -0.53 0.00 3.64 -1.90 -1.38 116.57 117.00 2pan h LYS 323 Ca -0.01 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2pan h LYS 323 Cb 1.16 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2pan h LYS 323 CO 0.09 0.95 0.24 0.00 -2.27 0.00 0.00 179.45 178.46 2pan h ALA 324 N 0.58 0.68 -0.48 5.00 0.00 -1.93 -1.56 119.26 121.55 2pan h ALA 324 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2pan h ALA 324 Cb 0.92 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2pan h ALA 324 CO 0.07 0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.63 2pan h ALA 325 N 1.08 0.64 -0.00 0.00 0.00 -1.40 -2.79 119.26 116.79 2pan h ALA 325 Ca 0.18 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2pan h ALA 325 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2pan h ALA 325 CO -0.02 0.40 -0.60 -0.07 0.00 0.00 0.00 179.25 178.95 2pan h LEU 326 N 0.67 0.02 -0.26 0.00 3.38 -1.18 0.08 115.31 118.03 2pan h LEU 326 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pan h LEU 326 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2pan h LEU 326 CO 0.02 0.62 0.17 0.74 0.09 0.00 0.00 178.44 180.07 2pan h THR 327 N 0.01 1.05 -0.37 0.22 2.02 -1.20 -1.05 112.91 113.60 2pan h THR 327 Ca -0.01 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2pan h THR 327 Cb 1.07 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2pan h THR 327 CO 0.08 0.06 0.11 -0.07 0.37 0.00 0.00 175.52 176.07 2pan h LEU 328 N 0.34 0.55 -0.57 2.58 -0.00 -1.26 -2.39 115.31 114.55 2pan h LEU 328 Ca 0.10 -0.21 0.06 0.00 -0.00 0.00 0.00 57.88 57.82 2pan h LEU 328 Cb -0.03 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.43 2pan h LEU 328 CO -0.03 0.62 0.29 -0.07 -0.00 0.00 0.00 178.44 179.25 2pan h LEU 329 N 0.46 0.41 -0.40 1.67 -0.00 -0.81 0.19 115.31 116.83 2pan h LEU 329 Ca 0.12 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.00 2pan h LEU 329 Cb 0.27 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2pan h LEU 329 CO -0.00 0.27 0.12 0.58 -0.00 0.00 0.00 178.44 179.41 2pan h VAL 330 N 0.55 1.22 -0.26 1.22 2.07 -1.20 -0.19 116.25 119.65 2pan h VAL 330 Ca 0.26 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2pan h VAL 330 Cb 0.19 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2pan h VAL 330 CO -0.19 0.25 0.17 -0.08 0.02 0.00 0.00 177.57 177.74 2pan h GLU 331 N 0.49 0.34 -0.46 1.57 4.57 -0.86 -1.21 114.58 119.02 2pan h GLU 331 Ca 0.13 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 2pan h GLU 331 Cb 0.26 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2pan h GLU 331 CO -0.00 0.22 -0.22 0.28 -1.18 0.00 0.00 179.01 178.11 2pan h VAL 332 N 0.35 1.27 -0.58 0.32 2.07 -0.59 -2.49 116.25 116.60 2pan h VAL 332 Ca 0.10 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.27 2pan h VAL 332 Cb -0.03 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2pan h VAL 332 CO -0.03 0.47 0.33 0.00 0.02 0.00 0.00 177.57 178.37 2pan h ALA 333 N 0.85 0.75 -0.48 1.67 0.00 -0.92 -2.73 119.26 118.39 2pan h ALA 333 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pan h ALA 333 Cb 0.80 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2pan h ALA 333 CO 0.07 0.03 0.20 1.96 0.00 0.00 0.00 179.25 181.50 2pan h GLN 334 N 0.64 0.69 -1.26 0.00 4.20 -1.05 -0.66 115.11 117.68 2pan h GLN 334 Ca 0.24 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2pan h GLN 334 Cb 0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2pan h GLN 334 CO -0.13 0.57 0.00 0.39 -0.67 0.00 0.00 178.83 178.99 2pan n GLU 335 N -4.36 0.49 0.00 1.46 1.02 -0.95 -2.03 120.64 116.26 2pan n GLU 335 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2pan n GLU 335 Cb 0.15 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2pan n GLU 335 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2pan n GLN 337 N 0.63 0.00 0.00 3.49 7.27 -0.26 -2.37 117.38 126.15 2pan n GLN 337 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2pan n GLN 337 Cb 0.21 0.00 0.11 0.00 2.41 0.00 0.00 30.24 32.98 2pan n GLN 337 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2pan h LYS 338 N 0.00 0.53 0.00 3.69 1.57 -1.68 -3.41 116.57 117.27 2pan h LYS 338 Ca 0.00 -0.27 -0.40 0.00 -1.87 0.00 0.00 60.65 58.11 2pan h LYS 338 Cb 0.00 0.01 0.17 0.00 0.08 0.00 0.00 32.23 32.49 2pan h LYS 338 CO 0.00 0.85 0.32 0.00 -0.57 0.00 0.00 179.45 180.05 2pan n ALA 339 N -2.50 -1.99 -1.52 3.86 0.00 -1.00 -4.98 120.51 112.37 2pan n ALA 339 Ca -0.02 -1.63 -0.37 0.00 0.00 0.00 0.00 53.44 51.43 2pan n ALA 339 Cb 0.52 -0.09 0.07 0.00 0.00 0.00 0.00 19.45 19.94 2pan n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 340 N -3.65 5.77 0.00 0.00 0.00 -1.26 -4.67 105.19 101.38 2pan n GLY 340 Ca 0.16 -2.37 0.07 0.00 0.00 0.00 0.00 46.02 43.88 2pan n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pan n ARG 341 N -0.80 1.60 -2.98 1.61 1.74 -1.26 -4.88 116.66 111.68 2pan n ARG 341 Ca 0.60 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 57.22 2pan n ARG 341 Cb 0.52 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 2pan n ARG 341 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pan s LEU 342 N -3.20 4.09 0.63 0.55 1.43 -1.26 -4.99 118.68 115.93 2pan s LEU 342 Ca 0.01 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 53.88 2pan s LEU 342 Cb 0.10 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2pan s LEU 342 CO 0.59 -0.44 1.08 -2.16 0.23 0.00 0.00 176.35 175.65 2pan s PRO 343 N 2.60 3.07 0.11 1.29 0.04 -1.26 -5.01 135.00 135.84 2pan s PRO 343 Ca 0.32 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 2pan s PRO 343 Cb -0.15 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 2pan s PRO 343 CO 0.08 -1.02 1.03 0.00 0.04 0.00 0.00 177.00 177.14 2pan n ARG 345 N 2.95 1.34 -0.14 0.00 1.74 -1.26 -4.87 116.66 116.42 2pan n ARG 345 Ca 0.04 -3.10 -0.05 0.00 -0.77 0.00 0.00 57.85 53.97 2pan n ARG 345 Cb 0.48 -1.36 0.04 0.00 -1.02 0.00 0.00 32.46 30.60 2pan n ARG 345 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2pan h LYS 346 N 1.00 0.40 -0.28 5.56 1.63 -1.93 -2.05 116.57 120.89 2pan h LYS 346 Ca -0.04 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 2pan h LYS 346 Cb 1.14 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 2pan h LYS 346 CO 0.02 0.26 -0.04 1.49 -3.45 0.00 0.00 179.45 177.73 2pan h GLU 347 N 0.41 0.53 -0.38 1.90 4.81 -1.99 -1.71 114.58 118.15 2pan h GLU 347 Ca 0.20 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2pan h GLU 347 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2pan h GLU 347 CO -0.17 0.71 0.04 2.35 -0.73 0.00 0.00 179.01 181.21 2pan h TRP 348 N 0.30 0.68 -0.51 0.92 -0.00 -1.89 -2.05 115.95 113.40 2pan h TRP 348 Ca 0.08 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.89 58.84 2pan h TRP 348 Cb 0.50 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.45 2pan h TRP 348 CO 0.04 0.70 0.20 -0.39 -0.00 0.00 0.00 178.44 178.99 2pan h VAL 349 N 0.47 1.19 0.24 2.65 -1.51 -1.41 -2.61 116.25 115.27 2pan h VAL 349 Ca 0.11 -0.60 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 2pan h VAL 349 Cb 0.39 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2pan h VAL 349 CO 0.01 0.23 -0.12 0.00 -1.23 0.00 0.00 177.57 176.47 2pan h ALA 350 N 1.49 -0.32 0.00 5.19 0.00 -0.95 -2.43 119.26 122.24 2pan h ALA 350 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pan h ALA 350 Cb 0.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pan h ALA 350 CO -0.02 -0.62 0.00 0.38 0.00 0.00 0.00 179.25 178.99 2pan h ASP 351 N -0.44 0.00 -0.38 0.00 2.03 -1.37 -0.91 116.42 115.34 2pan h ASP 351 Ca -0.03 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.23 2pan h ASP 351 Cb 0.34 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 2pan h ASP 351 CO 0.05 0.00 0.08 0.00 -1.03 0.00 0.00 179.24 178.35 2pan h GLN 353 N 0.47 0.30 -0.57 0.00 4.20 -0.88 -2.29 115.11 116.34 2pan h GLN 353 Ca 0.12 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2pan h GLN 353 Cb 0.32 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2pan h GLN 353 CO 0.00 0.56 0.21 0.37 -0.67 0.00 0.00 178.83 179.31 2pan h GLN 354 N 0.27 0.86 -0.64 1.46 5.75 -1.14 -2.34 115.11 119.33 2pan h GLN 354 Ca 0.04 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2pan h GLN 354 Cb 0.64 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 2pan h GLN 354 CO 0.05 0.76 0.41 0.00 -2.65 0.00 0.00 178.83 177.40 2pan h ARG 355 N 0.79 0.86 0.00 1.69 3.08 -1.34 -3.05 114.38 116.41 2pan h ARG 355 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2pan h ARG 355 Cb 0.23 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2pan h ARG 355 CO -0.01 0.59 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.21 2pan h LYS 356 N 0.87 0.00 -0.40 0.04 3.64 -0.90 -1.13 116.57 118.69 2pan h LYS 356 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2pan h LYS 356 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2pan h LYS 356 CO -0.05 0.05 0.00 2.89 -2.27 0.00 0.00 179.45 180.07 2pan n ARG 357 N -3.39 2.66 0.00 1.90 1.85 -0.96 -4.65 116.66 114.08 2pan n ARG 357 Ca -0.02 -2.12 0.00 0.00 -1.00 0.00 0.00 57.85 54.71 2pan n ARG 357 Cb 0.18 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2pan n ARG 357 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2pan n THR 358 N 0.79 0.00 -2.89 8.89 -2.24 -0.93 -4.64 114.28 113.25 2pan n THR 358 Ca 0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 2pan n THR 358 Cb 0.46 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.40 2pan n THR 358 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pan n LEU 359 N -1.20 6.32 -4.79 3.22 4.77 -0.47 -4.11 117.00 120.74 2pan n LEU 359 Ca 0.00 -5.03 -0.27 0.00 -0.03 0.00 0.00 56.01 50.68 2pan n LEU 359 Cb 0.20 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 39.87 2pan n LEU 359 CO 0.00 1.53 -0.12 -0.76 -1.33 0.00 0.00 177.39 176.72 2pan s LEU 360 N -1.80 2.83 -0.03 2.23 1.43 -0.47 -3.84 118.68 119.03 2pan s LEU 360 Ca 0.34 -1.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 2pan s LEU 360 Cb 0.04 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 2pan s LEU 360 CO 0.06 -0.77 -0.22 -0.13 0.23 0.00 0.00 176.35 175.52 2pan s ARG 361 N -4.01 1.92 0.23 1.70 0.52 -1.26 -1.28 118.95 116.78 2pan s ARG 361 Ca 0.32 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 2pan s ARG 361 Cb 0.02 -1.78 -0.10 0.00 0.52 0.00 0.00 34.95 33.61 2pan s ARG 361 CO 0.18 0.42 1.41 0.21 0.02 0.00 0.00 175.30 177.54 2pan s LYS 362 N -0.37 4.30 0.00 3.54 2.20 -0.84 -4.62 119.74 123.94 2pan s LYS 362 Ca 0.04 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 2pan s LYS 362 Cb -0.10 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2pan s LYS 362 CO 0.00 -0.39 0.00 0.25 -0.36 0.00 0.00 175.35 174.86 2pan n THR 363 N 2.51 0.00 -2.68 3.43 -2.24 0.36 -4.90 114.28 110.76 2pan n THR 363 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 2pan n THR 363 Cb 0.41 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2pan n THR 363 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pan n HIS 364 N -1.43 4.49 -4.12 4.78 -0.00 -0.64 -2.86 115.22 115.43 2pan n HIS 364 Ca 0.00 -3.12 -0.34 0.00 -0.00 0.00 0.00 57.72 54.26 2pan n HIS 364 Cb 0.13 -2.29 -0.10 0.00 -0.00 0.00 0.00 29.99 27.73 2pan n HIS 364 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2pan s PHE 365 N 2.18 3.21 -2.29 1.57 0.40 -1.26 -4.98 117.98 116.81 2pan s PHE 365 Ca 0.46 0.03 0.21 0.00 -0.60 0.00 0.00 56.93 57.02 2pan s PHE 365 Cb 0.02 -2.02 0.53 0.00 0.51 0.00 0.00 43.02 42.06 2pan s PHE 365 CO 0.02 0.17 1.45 -0.25 0.70 0.00 0.00 175.22 177.31 2pan n ASP 366 N 3.32 2.88 -4.65 1.36 8.00 -1.26 -4.85 116.55 121.35 2pan n ASP 366 Ca -0.17 -1.92 -0.38 0.00 0.71 0.00 0.00 54.79 53.02 2pan n ASP 366 Cb 0.52 -0.25 0.05 0.00 -0.02 0.00 0.00 41.12 41.42 2pan n ASP 366 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pan n ASN 367 N 1.10 1.38 -3.83 -2.24 4.13 -1.26 -4.83 115.26 109.71 2pan n ASN 367 Ca 0.18 0.88 -0.24 0.00 1.68 0.00 0.00 54.58 57.08 2pan n ASN 367 Cb 0.50 -1.44 -0.17 0.00 -1.54 0.00 0.00 39.78 37.13 2pan n ASN 367 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2pan s VAL 368 N -1.42 0.63 0.77 2.41 1.01 -1.26 -3.72 120.40 118.82 2pan s VAL 368 Ca 0.73 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 2pan s VAL 368 Cb -0.43 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.28 2pan s VAL 368 CO 0.49 0.30 1.12 -2.16 0.00 0.00 0.00 175.10 174.84 2pan s PRO 369 N 1.78 2.15 0.28 2.72 0.04 -1.26 -5.11 135.00 135.60 2pan s PRO 369 Ca 0.03 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 2pan s PRO 369 Cb -0.13 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 2pan s PRO 369 CO -0.06 -1.75 1.26 0.08 0.04 0.00 0.00 177.00 176.58 2pan s VAL 370 N -2.64 3.03 0.08 -0.36 1.01 -1.19 -4.29 120.40 116.03 2pan s VAL 370 Ca 0.65 0.98 -0.24 0.00 0.00 0.00 0.00 61.98 63.36 2pan s VAL 370 Cb -0.20 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 2pan s VAL 370 CO 0.52 0.21 0.74 -0.54 0.00 0.00 0.00 175.10 176.03 2pan s LYS 371 N -1.22 4.49 0.44 2.72 1.02 -1.26 -0.84 119.74 125.09 2pan s LYS 371 Ca 0.50 1.05 0.15 0.00 0.02 0.00 0.00 55.97 57.69 2pan s LYS 371 Cb -0.37 -3.33 1.00 0.00 -0.52 0.00 0.00 37.83 34.61 2pan s LYS 371 CO 0.46 0.39 1.98 -1.00 -0.92 0.00 0.00 175.35 176.26 2pan h PRO 372 N 5.22 0.00 0.00 -1.68 0.13 -1.95 -1.94 132.00 131.78 2pan h PRO 372 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2pan h PRO 372 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2pan h PRO 372 CO 0.69 0.20 -0.07 -0.56 -0.23 0.00 0.00 178.00 178.03 2pan h GLN 373 N 0.00 0.00 -0.00 0.86 -0.00 -1.91 -1.33 115.11 112.72 2pan h GLN 373 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 2pan h GLN 373 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.82 2pan h GLN 373 CO 0.03 0.07 -0.48 -0.09 -0.00 0.00 0.00 178.83 178.36 2pan h ARG 374 N 0.00 0.00 -0.48 0.06 9.65 -1.20 -3.17 114.38 119.25 2pan h ARG 374 Ca -0.00 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 2pan h ARG 374 Cb 0.38 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 2pan h ARG 374 CO 0.01 0.48 0.10 0.28 2.80 0.00 0.00 179.97 183.64 2pan h VAL 375 N 0.00 1.24 -0.19 0.20 2.07 -1.34 -2.63 116.25 115.61 2pan h VAL 375 Ca -0.00 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 2pan h VAL 375 Cb 0.84 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2pan h VAL 375 CO 0.06 0.31 -0.40 1.88 0.02 0.00 0.00 177.57 179.44 2pan h TYR 376 N 0.65 0.51 -0.28 1.57 -1.99 -1.57 -2.53 116.97 113.33 2pan h TYR 376 Ca 0.15 -0.14 0.03 0.00 2.00 0.00 0.00 58.73 60.77 2pan h TYR 376 Cb 0.34 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 2pan h TYR 376 CO 0.02 0.76 0.08 1.49 -0.00 0.00 0.00 178.16 180.52 2pan h GLU 377 N 0.36 0.20 -1.67 4.88 4.81 -1.51 -2.06 114.58 119.58 2pan h GLU 377 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2pan h GLU 377 Cb 0.85 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2pan h GLU 377 CO 0.07 0.13 0.00 0.39 -0.73 0.00 0.00 179.01 178.87 2pan n GLU 378 N -5.05 0.43 0.00 1.92 -0.58 -0.95 -2.46 120.64 113.95 2pan n GLU 378 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2pan n GLU 378 Cb 0.10 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2pan n GLU 378 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pan n ASN 380 N 1.03 0.00 -0.12 1.62 3.02 -0.78 -1.06 115.26 118.97 2pan n ASN 380 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 2pan n ASN 380 Cb 0.21 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 2pan n ASN 380 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2pan h LYS 381 N 0.00 0.81 0.01 3.52 1.57 -1.77 -3.35 116.57 117.36 2pan h LYS 381 Ca 0.00 -0.39 -0.20 0.00 -1.87 0.00 0.00 60.65 58.19 2pan h LYS 381 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2pan h LYS 381 CO 0.00 1.03 -0.94 0.00 -0.57 0.00 0.00 179.45 178.97 2pan h ALA 382 N 0.77 0.45 -3.09 3.86 0.00 -1.38 -3.46 119.26 116.40 2pan h ALA 382 Ca 0.07 -0.84 -0.62 0.00 0.00 0.00 0.00 54.91 53.52 2pan h ALA 382 Cb 0.83 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 2pan h ALA 382 CO 0.07 1.14 -0.62 -0.06 0.00 0.00 0.00 179.25 179.78 2pan s PHE 383 N -2.89 3.08 1.06 0.00 0.40 -1.26 -5.03 117.98 113.35 2pan s PHE 383 Ca 0.00 -0.00 -0.17 0.00 -0.60 0.00 0.00 56.93 56.16 2pan s PHE 383 Cb 0.10 -1.54 0.23 0.00 0.51 0.00 0.00 43.02 42.32 2pan s PHE 383 CO 0.81 0.51 1.21 0.20 0.70 0.00 0.00 175.22 178.65 2pan s GLY 384 N -2.59 1.67 0.42 4.36 0.00 -1.26 -4.85 107.32 105.07 2pan s GLY 384 Ca 0.28 -1.01 0.18 0.00 0.00 0.00 0.00 44.72 44.18 2pan s GLY 384 CO 0.21 -0.22 1.89 -0.09 0.00 0.00 0.00 173.10 174.89 2pan h ARG 385 N -2.02 0.00 -0.14 2.90 2.43 -1.95 -2.67 114.38 112.94 2pan h ARG 385 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2pan h ARG 385 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2pan h ARG 385 CO 0.39 0.28 0.00 -0.40 -1.51 0.00 0.00 179.97 178.74 2pan n ASP 386 N -3.87 0.75 -4.73 -3.80 3.85 -1.26 -4.37 116.55 103.13 2pan n ASP 386 Ca -0.02 -1.96 -0.38 0.00 -0.71 0.00 0.00 54.79 51.73 2pan n ASP 386 Cb 0.36 -0.09 0.05 0.00 -1.35 0.00 0.00 41.12 40.10 2pan n ASP 386 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2pan n VAL 387 N -0.11 4.27 -3.86 2.12 3.14 -1.01 -4.45 118.33 118.43 2pan n VAL 387 Ca 0.06 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.64 2pan n VAL 387 Cb 0.12 -1.56 -0.16 0.00 -1.06 0.00 0.00 33.84 31.18 2pan n VAL 387 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pan s TYR 389 N 1.50 3.77 -0.09 0.00 4.12 -0.67 -0.94 117.35 125.04 2pan s TYR 389 Ca -0.00 1.25 0.03 0.00 0.02 0.00 0.00 57.07 58.37 2pan s TYR 389 Cb -0.18 -2.53 0.01 0.00 -1.52 0.00 0.00 41.96 37.74 2pan s TYR 389 CO -0.11 0.52 -0.19 0.08 0.02 0.00 0.00 175.55 175.88 2pan s VAL 390 N -0.84 1.66 0.33 0.71 1.01 -0.58 -0.86 120.40 121.83 2pan s VAL 390 Ca 0.29 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 2pan s VAL 390 Cb -0.19 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.76 2pan s VAL 390 CO 0.18 0.47 0.72 0.28 0.00 0.00 0.00 175.10 176.75 2pan s THR 391 N 0.52 0.00 0.00 3.92 -1.32 -0.85 -1.15 115.64 116.75 2pan s THR 391 Ca -0.16 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2pan s THR 391 Cb -0.17 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2pan s THR 391 CO 0.06 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.88 2pan n THR 392 N -0.50 0.00 -3.57 5.08 -1.04 -1.26 -4.03 114.28 108.96 2pan n THR 392 Ca -0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.81 2pan n THR 392 Cb 0.60 -0.13 -0.06 0.00 -1.82 0.00 0.00 70.33 68.92 2pan n THR 392 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2pan s ILE 393 N 0.00 0.02 0.00 12.58 2.07 -1.26 -4.69 121.20 129.92 2pan s ILE 393 Ca 0.00 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 2pan s ILE 393 Cb 0.00 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.64 2pan s ILE 393 CO 0.00 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 2pan n GLY 394 N 0.60 1.69 0.26 1.50 0.00 -1.26 -4.58 105.19 103.41 2pan n GLY 394 Ca -0.19 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.84 2pan n GLY 394 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pan h LEU 395 N 0.00 0.14 -0.30 0.99 3.38 -1.95 -0.99 115.31 116.57 2pan h LEU 395 Ca 0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2pan h LEU 395 Cb 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 2pan h LEU 395 CO 0.00 0.16 -0.21 0.77 0.09 0.00 0.00 178.44 179.25 2pan h SER 396 N 0.16 -0.69 0.77 -0.43 4.64 -1.94 -2.28 113.55 113.78 2pan h SER 396 Ca 0.04 0.14 -0.25 0.00 -0.47 0.00 0.00 61.79 61.25 2pan h SER 396 Cb 0.09 0.35 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 2pan h SER 396 CO -0.00 -0.24 -1.26 -0.61 -0.87 0.00 0.00 176.83 173.85 2pan h GLN 397 N -0.18 0.06 0.15 4.77 -0.00 -1.69 -2.78 115.11 115.45 2pan h GLN 397 Ca 0.16 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 2pan h GLN 397 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.95 2pan h GLN 397 CO -0.41 0.93 -0.07 0.82 0.00 0.00 0.00 178.83 180.09 2pan h ILE 398 N 0.02 0.96 -0.66 2.39 2.04 -1.19 -0.42 117.51 120.64 2pan h ILE 398 Ca -0.12 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2pan h ILE 398 Cb 1.88 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 2pan h ILE 398 CO 0.13 0.12 0.23 0.00 0.00 0.00 0.00 178.15 178.63 2pan h ALA 399 N 0.35 1.17 -0.49 1.87 0.00 -1.55 -1.97 119.26 118.64 2pan h ALA 399 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2pan h ALA 399 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2pan h ALA 399 CO 0.03 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.19 2pan h ALA 400 N 1.29 0.63 -0.08 0.00 0.00 -1.42 -2.60 119.26 117.08 2pan h ALA 400 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2pan h ALA 400 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pan h ALA 400 CO -0.01 0.04 -0.22 0.00 0.00 0.00 0.00 179.25 179.06 2pan h ALA 401 N 1.19 1.49 -0.41 0.00 0.00 -0.68 0.95 119.26 121.80 2pan h ALA 401 Ca 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2pan h ALA 401 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2pan h ALA 401 CO -0.06 0.37 0.07 0.00 0.00 0.00 0.00 179.25 179.63 2pan n GLN 402 N -4.23 3.20 0.00 0.00 10.64 -0.77 -4.80 117.38 121.42 2pan n GLN 402 Ca -0.01 -1.99 0.00 0.00 -1.83 0.00 0.00 57.00 53.17 2pan n GLN 402 Cb 0.31 -1.95 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 2pan n GLN 402 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2pan n LEU 404 N 0.24 0.00 -4.06 2.61 4.77 0.33 -4.92 117.00 115.97 2pan n LEU 404 Ca 0.21 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.02 2pan n LEU 404 Cb 0.92 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.88 2pan n LEU 404 CO 0.24 0.00 -0.43 -1.00 -1.33 0.00 0.00 177.39 174.87 2pan s HIS 405 N 0.00 0.85 0.04 -1.77 3.76 -1.26 -5.11 115.29 111.80 2pan s HIS 405 Ca 0.00 -0.27 0.04 0.00 -0.15 0.00 0.00 55.06 54.68 2pan s HIS 405 Cb 0.00 -0.52 -0.02 0.00 1.11 0.00 0.00 32.58 33.15 2pan s HIS 405 CO 0.00 -0.01 -0.13 0.08 -0.85 0.00 0.00 174.74 173.83 2pan s VAL 406 N -0.62 1.01 -0.01 -0.90 1.01 -1.26 -5.02 120.40 114.61 2pan s VAL 406 Ca -0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2pan s VAL 406 Cb -0.06 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2pan s VAL 406 CO 0.00 -0.05 0.80 0.49 0.00 0.00 0.00 175.10 176.34 2pan n PHE 407 N 1.86 0.00 -3.54 5.22 3.01 -1.26 -2.52 117.46 120.24 2pan n PHE 407 Ca -0.18 -0.25 -0.11 0.00 1.01 0.00 0.00 57.45 57.91 2pan n PHE 407 Cb 0.55 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.95 2pan n PHE 407 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pan s LYS 408 N -0.61 1.34 0.32 -1.08 2.20 -1.25 -4.58 119.74 116.09 2pan s LYS 408 Ca 0.04 -0.61 -0.27 0.00 -0.36 0.00 0.00 55.97 54.77 2pan s LYS 408 Cb 0.03 0.57 -0.09 0.00 -1.51 0.00 0.00 37.83 36.83 2pan s LYS 408 CO 0.00 -0.58 0.99 0.16 -0.36 0.00 0.00 175.35 175.56 2pan s ASP 409 N -2.79 7.24 -1.34 1.43 1.47 -0.87 -3.22 116.67 118.59 2pan s ASP 409 Ca 0.04 1.97 0.00 0.00 1.18 0.00 0.00 52.55 55.73 2pan s ASP 409 Cb -0.01 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 2pan s ASP 409 CO -0.09 -0.14 0.00 0.54 0.68 0.00 0.00 175.17 176.16 2pan n ARG 410 N 0.66 -1.18 -0.21 2.11 1.74 -1.26 -4.89 116.66 113.62 2pan n ARG 410 Ca 0.02 0.78 0.06 0.00 -0.77 0.00 0.00 57.85 57.94 2pan n ARG 410 Cb 0.49 -5.09 0.18 0.00 -1.02 0.00 0.00 32.46 27.02 2pan n ARG 410 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2pan n HIS 411 N -3.79 0.55 -3.77 -1.55 8.25 -1.20 -4.75 115.22 108.97 2pan n HIS 411 Ca -0.17 -0.52 -0.30 0.00 -0.26 0.00 0.00 57.72 56.47 2pan n HIS 411 Cb 0.61 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.53 2pan n HIS 411 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2pan s TRP 412 N -1.11 1.87 -0.45 4.41 -0.11 -1.26 -1.67 118.94 120.62 2pan s TRP 412 Ca 0.27 -1.78 -0.14 0.00 1.22 0.00 0.00 56.10 55.67 2pan s TRP 412 Cb 0.15 -1.76 0.07 0.00 -1.50 0.00 0.00 33.47 30.43 2pan s TRP 412 CO 0.17 -0.86 0.35 0.42 -4.62 0.00 0.00 176.95 172.41 2pan s ILE 413 N 1.56 4.96 -0.13 5.86 -1.09 -0.04 -5.01 121.20 127.32 2pan s ILE 413 Ca 0.08 -1.12 -0.06 0.00 -2.23 0.00 0.00 60.65 57.32 2pan s ILE 413 Cb -0.17 -3.96 0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2pan s ILE 413 CO -0.22 -0.54 0.29 0.21 -1.23 0.00 0.00 174.94 173.46 2pan s ASN 414 N 2.40 -0.13 -1.24 3.58 2.47 -1.26 -2.01 114.94 118.76 2pan s ASN 414 Ca 0.04 0.65 -0.20 0.00 0.42 0.00 0.00 52.86 53.77 2pan s ASN 414 Cb -0.24 0.63 0.04 0.00 -1.45 0.00 0.00 41.25 40.23 2pan s ASN 414 CO 0.06 -0.20 1.75 0.00 -3.72 0.00 0.00 177.10 174.99 2pan h GLY 416 N 13.69 0.00 0.11 0.00 0.00 -1.94 -1.94 103.07 113.00 2pan h GLY 416 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.33 2pan h GLY 416 CO 1.41 0.00 -2.35 -0.18 0.00 0.00 0.00 176.54 175.41 2pan n GLN 417 N -3.72 0.67 -0.11 4.80 -0.06 -1.26 -4.68 117.38 113.02 2pan n GLN 417 Ca -0.01 0.10 -0.15 0.00 -2.00 0.00 0.00 57.00 54.94 2pan n GLN 417 Cb 0.43 -1.55 -0.12 0.00 -4.06 0.00 0.00 30.24 24.94 2pan n GLN 417 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2pan n ALA 418 N -2.97 1.50 -3.99 1.69 0.00 -1.25 -5.04 120.51 110.45 2pan n ALA 418 Ca -0.37 -1.06 -0.34 0.00 0.00 0.00 0.00 53.44 51.66 2pan n ALA 418 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 20.45 2pan n ALA 418 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 419 N 2.25 -0.58 3.69 0.00 0.00 -0.73 -4.91 105.19 104.92 2pan n GLY 419 Ca -0.39 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2pan n GLY 419 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pan s PRO 420 N -6.84 4.39 0.41 1.61 0.04 -1.26 -4.76 135.00 128.59 2pan s PRO 420 Ca 0.27 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 2pan s PRO 420 Cb -0.12 -3.51 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 2pan s PRO 420 CO 0.93 -0.37 1.47 1.28 0.04 0.00 0.00 177.00 180.35 2pan n LEU 421 N 4.88 5.01 0.00 -3.56 4.77 -1.26 -2.56 117.00 124.28 2pan n LEU 421 Ca 0.10 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2pan n LEU 421 Cb 0.47 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 2pan n LEU 421 CO 0.55 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2pan n GLY 422 N 0.49 0.29 0.28 -0.72 0.00 -1.23 -4.88 105.19 99.43 2pan n GLY 422 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2pan n GLY 422 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2pan h TRP 423 N 0.00 0.79 -0.01 1.61 7.01 -1.79 -3.37 115.95 120.20 2pan h TRP 423 Ca 0.00 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 2pan h TRP 423 Cb 0.00 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2pan h TRP 423 CO 0.00 0.74 0.00 1.15 -2.79 0.00 0.00 178.44 177.54 2pan h THR 424 N 0.69 1.04 0.95 2.65 2.02 -1.89 -1.30 112.91 117.07 2pan h THR 424 Ca 0.14 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2pan h THR 424 Cb 0.44 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2pan h THR 424 CO 0.02 0.03 -0.46 0.40 0.37 0.00 0.00 175.52 175.88 2pan h ILE 425 N -0.04 0.06 -0.87 3.11 2.04 -1.92 -1.42 117.51 118.48 2pan h ILE 425 Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2pan h ILE 425 Cb 0.04 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 2pan h ILE 425 CO -0.00 0.00 0.48 1.55 0.00 0.00 0.00 178.15 180.18 2pan h PRO 426 N -1.28 1.20 -0.52 2.37 0.13 -1.76 -1.85 132.00 130.28 2pan h PRO 426 Ca -0.13 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.91 2pan h PRO 426 Cb 0.98 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 2pan h PRO 426 CO 0.21 0.88 0.26 0.00 -0.23 0.00 0.00 178.00 179.12 2pan h ALA 427 N 1.32 0.67 -0.37 -0.56 0.00 -1.20 -0.40 119.26 118.72 2pan h ALA 427 Ca 0.31 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2pan h ALA 427 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2pan h ALA 427 CO -0.05 -0.09 0.20 0.00 0.00 0.00 0.00 179.25 179.32 2pan h ALA 428 N 1.29 0.46 -0.67 0.00 0.00 -0.90 -1.77 119.26 117.66 2pan h ALA 428 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2pan h ALA 428 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2pan h ALA 428 CO -0.17 -0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.25 2pan h LEU 429 N 0.41 0.81 -0.79 0.00 3.38 -0.81 -1.60 115.31 116.73 2pan h LEU 429 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2pan h LEU 429 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2pan h LEU 429 CO -0.08 0.64 0.12 1.23 0.09 0.00 0.00 178.44 180.44 2pan h GLY 430 N 0.97 1.11 0.94 0.83 0.00 -0.63 -0.88 103.07 105.42 2pan h GLY 430 Ca 0.24 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 2pan h GLY 430 CO -0.04 0.66 0.10 -2.08 0.00 0.00 0.00 176.54 175.18 2pan h VAL 431 N 0.98 1.23 -0.75 4.60 2.07 -0.87 -1.61 116.25 121.90 2pan h VAL 431 Ca 0.20 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2pan h VAL 431 Cb 0.40 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2pan h VAL 431 CO 0.01 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.23 2pan h ALA 433 N 1.33 1.16 -0.06 0.00 0.00 -1.06 -2.77 119.26 117.85 2pan h ALA 433 Ca 0.26 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2pan h ALA 433 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pan h ALA 433 CO -0.03 0.55 -0.62 0.00 0.00 0.00 0.00 179.25 179.15 2pan h ALA 434 N 1.39 0.84 -1.71 0.00 0.00 -0.54 -3.42 119.26 115.82 2pan h ALA 434 Ca 0.03 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 2pan h ALA 434 Cb 0.71 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.13 2pan h ALA 434 CO 0.05 0.74 -0.57 0.34 0.00 0.00 0.00 179.25 179.81 2pan s ASP 435 N -6.90 0.43 0.32 0.00 2.15 -0.26 -5.01 116.67 107.41 2pan s ASP 435 Ca -0.04 -0.73 0.22 0.00 0.43 0.00 0.00 52.55 52.43 2pan s ASP 435 Cb 0.12 1.04 1.17 0.00 -0.30 0.00 0.00 42.92 44.95 2pan s ASP 435 CO 0.80 -0.31 1.67 -2.65 -0.17 0.00 0.00 175.17 174.51 2pan n PRO 436 N 4.99 0.15 0.03 4.34 -0.02 -1.06 -1.81 135.00 141.61 2pan n PRO 436 Ca 0.04 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 2pan n PRO 436 Cb 0.49 -1.96 0.22 0.00 -0.02 0.00 0.00 33.50 32.23 2pan n PRO 436 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pan n LYS 437 N -2.27 0.17 -2.15 -0.52 4.76 -1.26 -4.93 118.16 111.95 2pan n LYS 437 Ca -0.01 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 2pan n LYS 437 Cb 0.05 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 2pan n LYS 437 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2pan s ARG 438 N -3.10 4.31 -1.31 1.97 6.06 -0.75 -4.93 118.95 121.19 2pan s ARG 438 Ca 0.08 2.09 -0.15 0.00 -2.50 0.00 0.00 55.73 55.25 2pan s ARG 438 Cb 0.15 -3.29 0.10 0.00 0.06 0.00 0.00 34.95 31.97 2pan s ARG 438 CO 0.70 -0.47 1.79 -1.71 -2.50 0.00 0.00 175.30 173.11 2pan n ASN 439 N 4.15 4.80 -4.70 -2.12 4.05 -1.26 -4.98 115.26 115.19 2pan n ASN 439 Ca 0.12 -2.94 -0.41 0.00 0.45 0.00 0.00 54.58 51.80 2pan n ASN 439 Cb 0.42 -1.66 -0.04 0.00 1.23 0.00 0.00 39.78 39.73 2pan n ASN 439 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2pan s VAL 440 N 3.01 4.94 -0.07 3.44 1.01 -1.26 -1.26 120.40 130.20 2pan s VAL 440 Ca 0.49 1.75 -0.00 0.00 0.00 0.00 0.00 61.98 64.21 2pan s VAL 440 Cb 0.05 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.27 2pan s VAL 440 CO 0.02 0.17 -0.03 -0.69 0.00 0.00 0.00 175.10 174.56 2pan s VAL 441 N 1.17 0.60 0.07 2.92 1.01 -0.12 -2.69 120.40 123.37 2pan s VAL 441 Ca 0.44 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2pan s VAL 441 Cb -0.19 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2pan s VAL 441 CO 0.21 0.28 0.14 0.00 0.00 0.00 0.00 175.10 175.73 2pan s ALA 442 N 1.54 3.76 -0.10 5.51 0.00 0.08 -1.53 121.76 131.02 2pan s ALA 442 Ca -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2pan s ALA 442 Cb -0.13 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2pan s ALA 442 CO -0.04 0.77 -0.21 0.42 0.00 0.00 0.00 175.76 176.71 2pan s ILE 443 N -1.46 1.85 0.04 0.00 1.09 -0.30 -0.03 121.20 122.39 2pan s ILE 443 Ca 0.32 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2pan s ILE 443 Cb -0.12 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.62 2pan s ILE 443 CO 0.25 0.51 -0.04 -0.44 -0.10 0.00 0.00 174.94 175.11 2pan s SER 444 N 0.58 0.54 0.77 3.58 0.01 -0.49 -4.41 113.70 114.27 2pan s SER 444 Ca -0.14 -0.70 -0.09 0.00 1.31 0.00 0.00 55.95 56.34 2pan s SER 444 Cb -0.17 0.11 0.10 0.00 0.21 0.00 0.00 66.02 66.27 2pan s SER 444 CO 0.04 -0.38 1.09 -0.83 0.41 0.00 0.00 173.24 173.58 2pan s GLY 445 N -2.04 1.70 0.28 3.44 0.00 -1.26 -1.03 107.32 108.40 2pan s GLY 445 Ca -0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 2pan s GLY 445 CO -0.03 -0.52 1.81 1.29 0.00 0.00 0.00 173.10 175.65 2pan h ASP 446 N -0.85 0.75 -0.10 1.64 2.03 -1.86 -1.80 116.42 116.23 2pan h ASP 446 Ca -0.44 -0.15 -0.09 0.00 -0.73 0.00 0.00 57.03 55.63 2pan h ASP 446 Cb 1.30 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2pan h ASP 446 CO 0.55 0.76 -0.28 0.15 -1.03 0.00 0.00 179.24 179.40 2pan h PHE 447 N 0.76 0.47 -0.61 4.15 3.57 -1.93 -2.48 116.94 120.88 2pan h PHE 447 Ca 0.16 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2pan h PHE 447 Cb 0.34 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2pan h PHE 447 CO 0.02 0.89 0.31 0.22 -2.23 0.00 0.00 178.31 177.52 2pan h ASP 448 N -0.08 0.43 -0.73 0.41 3.58 -1.90 -2.45 116.42 115.68 2pan h ASP 448 Ca -0.01 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.53 2pan h ASP 448 Cb 0.89 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 2pan h ASP 448 CO 0.06 0.28 0.48 0.15 -2.88 0.00 0.00 179.24 177.33 2pan h PHE 449 N 0.57 0.82 0.11 0.28 3.57 -1.26 -3.13 116.94 117.90 2pan h PHE 449 Ca 0.28 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.53 2pan h PHE 449 Cb 0.22 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.69 2pan h PHE 449 CO -0.10 0.47 -1.21 1.96 -2.23 0.00 0.00 178.31 177.20 2pan h GLN 450 N 0.84 0.30 -0.94 1.11 4.20 -0.98 -3.14 115.11 116.51 2pan h GLN 450 Ca 0.30 -0.48 0.13 0.00 0.06 0.00 0.00 58.65 58.67 2pan h GLN 450 Cb 0.12 0.17 -0.14 0.00 0.30 0.00 0.00 27.48 27.93 2pan h GLN 450 CO -0.09 1.21 -0.43 0.74 -0.67 0.00 0.00 178.83 179.59 2pan h PHE 451 N 0.10 -1.26 -1.10 2.96 -1.00 -1.43 -2.70 116.94 112.51 2pan h PHE 451 Ca -0.13 0.11 -0.51 0.00 2.81 0.00 0.00 57.97 60.25 2pan h PHE 451 Cb 1.92 0.69 -0.42 0.00 3.61 0.00 0.00 35.95 41.75 2pan h PHE 451 CO 0.07 -0.40 -0.87 1.28 -1.61 0.00 0.00 178.31 176.78 2pan n LEU 452 N -5.42 3.96 0.25 1.54 4.77 -1.26 -4.89 117.00 115.95 2pan n LEU 452 Ca 0.07 -4.62 0.08 0.00 -0.03 0.00 0.00 56.01 51.51 2pan n LEU 452 Cb 0.37 -0.19 0.61 0.00 -2.33 0.00 0.00 43.42 41.88 2pan n LEU 452 CO -0.12 1.97 1.03 -0.29 -1.33 0.00 0.00 177.39 178.65 2pan h ILE 453 N 2.83 1.02 0.00 -0.08 2.10 -1.42 -2.71 117.51 119.25 2pan h ILE 453 Ca 0.21 -0.17 -0.00 0.00 1.08 0.00 0.00 64.86 65.98 2pan h ILE 453 Cb 1.18 1.09 -0.00 0.00 -1.09 0.00 0.00 36.82 38.00 2pan h ILE 453 CO 0.70 0.05 -0.01 1.05 -1.08 0.00 0.00 178.15 178.86 2pan h GLU 454 N 0.00 0.00 0.00 2.19 9.09 -1.89 -2.75 114.58 121.23 2pan h GLU 454 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pan h GLU 454 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2pan h GLU 454 CO 0.01 0.01 0.00 0.39 0.05 0.00 0.00 179.01 179.47 2pan n GLU 455 N -3.15 0.19 -0.23 1.06 -0.58 -1.02 -1.68 120.64 115.22 2pan n GLU 455 Ca -0.01 0.46 0.13 0.00 -0.42 0.00 0.00 57.16 57.32 2pan n GLU 455 Cb 0.19 -1.90 0.42 0.00 -0.57 0.00 0.00 31.44 29.58 2pan n GLU 455 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2pan h LEU 456 N 0.00 0.57 -1.87 -4.62 3.38 -1.71 -1.64 115.31 109.42 2pan h LEU 456 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pan h LEU 456 Cb 0.30 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pan h LEU 456 CO 0.00 0.30 -0.08 0.00 0.09 0.00 0.00 178.44 178.75 2pan h ALA 457 N 1.61 1.12 -0.24 1.53 0.00 -1.45 -1.29 119.26 120.55 2pan h ALA 457 Ca 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2pan h ALA 457 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2pan h ALA 457 CO -0.17 0.10 0.06 0.28 0.00 0.00 0.00 179.25 179.52 2pan h VAL 458 N 0.00 1.21 0.00 0.00 2.07 -1.45 0.27 116.25 118.35 2pan h VAL 458 Ca -0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2pan h VAL 458 Cb 0.38 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2pan h VAL 458 CO 0.01 0.22 -0.04 1.23 0.02 0.00 0.00 177.57 179.02 2pan h GLY 459 N 0.21 0.00 0.09 2.17 0.00 -1.19 -1.97 103.07 102.38 2pan h GLY 459 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 2pan h GLY 459 CO 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.12 2pan h ALA 460 N 1.96 0.06 0.57 3.60 0.00 -1.13 -2.26 119.26 122.06 2pan h ALA 460 Ca -0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 2pan h ALA 460 Cb 0.07 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pan h ALA 460 CO 0.00 0.23 -0.27 0.37 0.00 0.00 0.00 179.25 179.58 2pan h GLN 461 N -0.91 -0.73 -6.71 0.00 4.15 -0.83 -3.38 115.11 106.70 2pan h GLN 461 Ca -0.10 0.05 -0.50 0.00 0.77 0.00 0.00 58.65 58.87 2pan h GLN 461 Cb 1.16 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 2pan h GLN 461 CO -0.03 -0.49 0.08 -0.06 -1.93 0.00 0.00 178.83 176.40 2pan s PHE 462 N -6.07 3.39 -1.15 3.99 0.40 -0.75 -5.00 117.98 112.79 2pan s PHE 462 Ca -0.17 1.15 -0.10 0.00 -0.60 0.00 0.00 56.93 57.22 2pan s PHE 462 Cb 0.04 -2.49 0.25 0.00 0.51 0.00 0.00 43.02 41.32 2pan s PHE 462 CO 0.63 0.08 1.28 0.09 0.70 0.00 0.00 175.22 178.00 2pan n ASN 463 N -0.48 5.51 -4.14 1.36 4.13 -1.26 -4.35 115.26 116.03 2pan n ASN 463 Ca 0.03 -3.06 -0.38 0.00 1.68 0.00 0.00 54.58 52.85 2pan n ASN 463 Cb 0.53 -1.43 -0.09 0.00 -1.54 0.00 0.00 39.78 37.26 2pan n ASN 463 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pan s ILE 464 N -0.58 3.93 0.15 2.41 1.01 -0.85 -4.84 121.20 122.44 2pan s ILE 464 Ca 0.35 -2.63 -0.24 0.00 0.00 0.00 0.00 60.65 58.12 2pan s ILE 464 Cb -0.06 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2pan s ILE 464 CO -0.04 -0.86 0.75 -2.16 0.00 0.00 0.00 174.94 172.63 2pan s PRO 465 N 0.31 4.51 0.32 2.79 0.04 -1.26 -3.72 135.00 137.99 2pan s PRO 465 Ca 0.14 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 2pan s PRO 465 Cb -0.20 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.13 2pan s PRO 465 CO -0.04 0.58 0.79 1.52 0.04 0.00 0.00 177.00 179.89 2pan s TYR 466 N -1.15 -0.03 -0.17 0.56 -0.85 -1.26 -4.90 117.35 109.56 2pan s TYR 466 Ca 0.35 -0.52 -0.03 0.00 -0.52 0.00 0.00 57.07 56.34 2pan s TYR 466 Cb -0.23 0.77 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 2pan s TYR 466 CO 0.25 -1.35 -0.05 0.42 -1.52 0.00 0.00 175.55 173.30 2pan s ILE 467 N -3.03 3.66 -0.29 -3.49 1.01 -1.09 -1.46 121.20 116.50 2pan s ILE 467 Ca 0.14 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 2pan s ILE 467 Cb -0.05 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.84 2pan s ILE 467 CO 0.09 0.48 0.02 -2.28 0.00 0.00 0.00 174.94 173.24 2pan s HIS 468 N 0.61 3.19 -0.26 3.97 2.46 -0.26 -0.74 115.29 124.27 2pan s HIS 468 Ca -0.03 -1.56 -0.23 0.00 0.47 0.00 0.00 55.06 53.70 2pan s HIS 468 Cb -0.15 -2.15 -0.01 0.00 -0.13 0.00 0.00 32.58 30.15 2pan s HIS 468 CO 0.03 -0.73 0.77 0.08 -2.47 0.00 0.00 174.74 172.41 2pan s VAL 469 N 1.34 4.86 -0.29 0.89 1.01 0.96 -0.66 120.40 128.51 2pan s VAL 469 Ca -0.02 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 2pan s VAL 469 Cb -0.18 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2pan s VAL 469 CO -0.01 -0.09 0.01 -0.22 0.00 0.00 0.00 175.10 174.80 2pan s LEU 470 N 2.79 3.71 -0.39 3.92 2.96 0.07 -1.40 118.68 130.33 2pan s LEU 470 Ca 0.32 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 2pan s LEU 470 Cb -0.15 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2pan s LEU 470 CO 0.09 -0.21 0.28 0.68 -1.32 0.00 0.00 176.35 175.87 2pan s VAL 471 N 1.36 5.22 -0.30 1.68 -7.23 -0.20 -0.36 120.40 120.57 2pan s VAL 471 Ca -0.01 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.51 2pan s VAL 471 Cb -0.18 -3.86 0.01 0.00 0.56 0.00 0.00 36.38 32.91 2pan s VAL 471 CO -0.01 -0.24 0.09 0.21 -0.31 0.00 0.00 175.10 174.84 2pan s ASN 472 N 1.68 5.17 -0.01 4.85 2.47 -0.35 -3.28 114.94 125.47 2pan s ASN 472 Ca 0.05 -0.72 0.02 0.00 0.42 0.00 0.00 52.86 52.63 2pan s ASN 472 Cb -0.19 -1.89 0.03 0.00 -1.45 0.00 0.00 41.25 37.76 2pan s ASN 472 CO 0.10 -0.20 1.02 -0.46 -3.72 0.00 0.00 177.10 173.84 2pan n ASN 473 N 4.87 2.08 -4.09 -4.21 0.23 -1.26 -0.65 115.26 112.24 2pan n ASN 473 Ca -0.14 -2.06 -0.33 0.00 -0.53 0.00 0.00 54.58 51.52 2pan n ASN 473 Cb 0.48 -0.04 -0.01 0.00 -2.08 0.00 0.00 39.78 38.14 2pan n ASN 473 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pan n ALA 474 N -0.48 -1.34 -3.25 -2.53 0.00 -1.26 -4.67 120.51 106.98 2pan n ALA 474 Ca 0.02 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2pan n ALA 474 Cb 0.28 -3.65 -0.09 0.00 0.00 0.00 0.00 19.45 15.99 2pan n ALA 474 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pan s TYR 475 N -3.36 -0.20 -1.20 0.00 1.51 -1.26 -1.45 117.35 111.40 2pan s TYR 475 Ca 0.64 0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 56.81 2pan s TYR 475 Cb -0.34 0.11 0.08 0.00 -0.11 0.00 0.00 41.96 41.70 2pan s TYR 475 CO 0.89 -0.40 1.60 -0.51 -1.11 0.00 0.00 175.55 176.02 2pan s LEU 476 N -1.30 3.92 0.10 -1.29 1.43 0.13 -4.66 118.68 117.01 2pan s LEU 476 Ca -0.13 -2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 50.50 2pan s LEU 476 Cb -0.05 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 2pan s LEU 476 CO 0.04 -1.22 1.67 1.23 0.23 0.00 0.00 176.35 178.30 2pan h GLY 477 N 12.25 -0.35 0.84 -3.19 0.00 -1.96 -1.03 103.07 109.63 2pan h GLY 477 Ca 0.35 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2pan h GLY 477 CO 1.41 -0.18 0.46 -2.00 0.00 0.00 0.00 176.54 176.24 2pan h LEU 478 N -0.37 0.75 -0.26 3.11 5.85 -1.92 -1.47 115.31 120.99 2pan h LEU 478 Ca 0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 2pan h LEU 478 Cb 0.38 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2pan h LEU 478 CO -0.09 0.51 -0.30 0.40 -0.34 0.00 0.00 178.44 178.62 2pan h ILE 479 N 0.89 1.31 -0.59 4.05 1.08 -1.93 -1.27 117.51 121.04 2pan h ILE 479 Ca 0.30 -1.48 0.11 0.00 -0.39 0.00 0.00 64.86 63.41 2pan h ILE 479 Cb 0.05 1.65 -0.09 0.00 -3.07 0.00 0.00 36.82 35.37 2pan h ILE 479 CO -0.12 0.47 0.11 -0.09 -0.69 0.00 0.00 178.15 177.82 2pan h ARG 480 N 0.39 0.23 -0.60 2.37 2.43 -0.94 -0.45 114.38 117.81 2pan h ARG 480 Ca 0.04 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2pan h ARG 480 Cb 0.87 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 2pan h ARG 480 CO 0.07 0.15 0.30 0.37 -1.51 0.00 0.00 179.97 179.36 2pan h GLN 481 N 0.24 0.85 0.00 0.20 4.15 -1.01 -2.63 115.11 116.91 2pan h GLN 481 Ca 0.31 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 2pan h GLN 481 Cb 0.46 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2pan h GLN 481 CO -0.41 0.68 -0.18 0.66 -1.93 0.00 0.00 178.83 177.65 2pan h SER 482 N 0.81 0.00 0.63 -0.69 4.64 -0.56 -2.57 113.55 115.81 2pan h SER 482 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2pan h SER 482 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2pan h SER 482 CO -0.03 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 2pan n GLN 483 N -3.84 0.21 -0.27 4.77 6.02 -0.24 -3.48 117.38 120.54 2pan n GLN 483 Ca -0.02 0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.02 2pan n GLN 483 Cb 0.27 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.14 2pan n GLN 483 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan h ARG 484 N 0.00 0.86 0.00 -1.09 3.08 -1.46 -1.94 114.38 113.84 2pan h ARG 484 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2pan h ARG 484 Cb 0.32 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2pan h ARG 484 CO 0.00 0.57 -0.02 0.00 -1.07 0.00 0.00 179.97 179.45 2pan h ALA 485 N 1.35 1.79 -0.52 0.04 0.00 -1.79 -0.19 119.26 119.94 2pan h ALA 485 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2pan h ALA 485 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pan h ALA 485 CO -0.15 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.31 2pan n PHE 486 N -4.25 0.70 -3.35 0.00 3.01 -0.78 -5.23 117.46 107.56 2pan n PHE 486 Ca -0.03 -0.35 -0.10 0.00 1.01 0.00 0.00 57.45 57.98 2pan n PHE 486 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2pan n PHE 486 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2pan n ASP 487 N 1.10 -6.64 -3.19 4.37 4.64 -0.09 -5.11 116.55 111.64 2pan n ASP 487 Ca 0.18 -0.44 0.02 0.00 -1.38 0.00 0.00 54.79 53.17 2pan n ASP 487 Cb 0.47 -3.98 -0.01 0.00 -1.04 0.00 0.00 41.12 36.56 2pan n ASP 487 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2pan s ASP 489 N -3.03 -1.57 -0.12 1.67 -1.08 -1.26 -5.05 116.67 106.23 2pan s ASP 489 Ca 0.04 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.59 2pan s ASP 489 Cb -0.01 1.99 0.06 0.00 -1.46 0.00 0.00 42.92 43.49 2pan s ASP 489 CO 0.81 -0.21 0.16 -0.47 0.52 0.00 0.00 175.17 175.98 2pan s TYR 490 N 2.19 -0.16 -1.55 -5.34 5.04 -1.26 -4.84 117.35 111.43 2pan s TYR 490 Ca 0.14 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 2pan s TYR 490 Cb -0.06 -0.33 0.00 0.00 0.35 0.00 0.00 41.96 41.92 2pan s TYR 490 CO -0.14 -0.37 0.00 0.00 -1.34 0.00 0.00 175.55 173.71 2pan n VAL 492 N -3.80 0.02 -3.61 0.00 0.24 -1.26 -4.99 118.33 104.93 2pan n VAL 492 Ca -0.20 -0.51 -0.37 0.00 -2.04 0.00 0.00 64.34 61.22 2pan n VAL 492 Cb 0.65 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.95 2pan n VAL 492 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2pan s GLN 493 N -0.03 3.77 0.00 7.34 -0.21 -1.26 0.23 119.66 129.49 2pan s GLN 493 Ca 0.00 0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.69 2pan s GLN 493 Cb 0.00 -3.16 0.10 0.00 1.00 0.00 0.00 33.01 30.95 2pan s GLN 493 CO 0.00 0.68 0.84 1.28 -2.12 0.00 0.00 175.29 175.98 2pan n LEU 494 N 1.61 1.87 -4.76 2.90 4.77 -0.53 -4.93 117.00 117.94 2pan n LEU 494 Ca -0.14 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.22 2pan n LEU 494 Cb 0.53 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2pan n LEU 494 CO 0.37 0.41 0.79 0.00 -1.33 0.00 0.00 177.39 177.63 2pan s ALA 495 N -0.73 3.40 0.16 -1.18 0.00 -1.23 -4.58 121.76 117.61 2pan s ALA 495 Ca 0.11 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 2pan s ALA 495 Cb 0.07 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.92 2pan s ALA 495 CO 0.10 -0.16 0.54 -0.59 0.00 0.00 0.00 175.76 175.66 2pan s PHE 496 N -1.02 -0.39 -0.52 0.00 -0.12 -1.12 -4.88 117.98 109.94 2pan s PHE 496 Ca 0.45 0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 57.16 2pan s PHE 496 Cb -0.31 0.47 0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2pan s PHE 496 CO 0.40 -0.84 1.22 -1.21 -0.05 0.00 0.00 175.22 174.74 2pan s GLU 497 N -3.79 3.57 -0.19 1.99 0.41 -1.26 -1.82 118.70 117.62 2pan s GLU 497 Ca 0.03 0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 54.76 2pan s GLU 497 Cb -0.00 -3.99 -0.03 0.00 -1.78 0.00 0.00 34.13 28.33 2pan s GLU 497 CO -0.11 -1.59 1.50 1.21 -0.49 0.00 0.00 175.26 175.79 2pan s ASN 498 N 3.05 6.60 0.15 -0.19 3.84 -1.26 -4.89 114.94 122.24 2pan s ASN 498 Ca 0.48 1.70 0.18 0.00 0.21 0.00 0.00 52.86 55.43 2pan s ASN 498 Cb -0.08 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.88 2pan s ASN 498 CO 0.29 -1.06 1.56 2.30 -2.79 0.00 0.00 177.10 177.40 2pan n ILE 499 N 5.97 1.01 0.72 -5.21 -5.35 -1.26 -1.90 119.36 113.33 2pan n ILE 499 Ca 0.17 0.31 0.08 0.00 -0.27 0.00 0.00 62.75 63.04 2pan n ILE 499 Cb 0.45 -1.19 0.01 0.00 -1.74 0.00 0.00 39.64 37.16 2pan n ILE 499 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2pan n ASN 500 N -1.93 1.78 -3.35 7.28 5.03 -1.26 -4.94 115.26 117.87 2pan n ASN 500 Ca 0.02 -1.39 -0.14 0.00 0.87 0.00 0.00 54.58 53.94 2pan n ASN 500 Cb 0.17 0.39 -0.07 0.00 -1.02 0.00 0.00 39.78 39.25 2pan n ASN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2pan s SER 501 N -1.84 0.96 0.27 6.41 0.01 -0.80 -4.98 113.70 113.74 2pan s SER 501 Ca 0.15 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.33 2pan s SER 501 Cb 0.13 0.75 0.39 0.00 0.21 0.00 0.00 66.02 67.50 2pan s SER 501 CO 0.38 -0.30 1.71 0.28 0.41 0.00 0.00 173.24 175.72 2pan h SER 502 N 7.56 0.50 -1.00 2.44 0.02 -1.93 -3.29 113.55 117.86 2pan h SER 502 Ca -0.02 -0.17 0.25 0.00 -0.84 0.00 0.00 61.79 61.01 2pan h SER 502 Cb 1.08 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 2pan h SER 502 CO 0.24 0.75 0.66 -0.33 -1.14 0.00 0.00 176.83 177.01 2pan h GLU 503 N 0.44 0.34 -0.00 3.45 3.07 -1.95 0.23 114.58 120.16 2pan h GLU 503 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2pan h GLU 503 Cb 0.68 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2pan h GLU 503 CO 0.05 0.22 -0.01 1.33 -1.40 0.00 0.00 179.01 179.20 2pan n VAL 504 N -4.53 0.00 -3.79 3.13 0.24 -1.24 -4.96 118.33 107.18 2pan n VAL 504 Ca 0.23 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.34 62.28 2pan n VAL 504 Cb 0.85 -0.44 0.02 0.00 -1.47 0.00 0.00 33.84 32.81 2pan n VAL 504 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pan n ASN 505 N -1.11 -1.76 -1.07 -1.34 3.02 0.07 -1.81 115.26 111.27 2pan n ASN 505 Ca 0.18 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.75 2pan n ASN 505 Cb 0.20 -3.84 -0.05 0.00 -0.61 0.00 0.00 39.78 35.47 2pan n ASN 505 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pan n GLY 506 N -1.66 1.30 0.05 7.41 0.00 -1.26 -4.88 105.19 106.14 2pan n GLY 506 Ca -0.23 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.53 2pan n GLY 506 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pan n TYR 507 N -2.71 0.41 0.00 1.61 4.02 -0.75 -2.80 117.16 116.94 2pan n TYR 507 Ca -0.14 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2pan n TYR 507 Cb 0.45 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 2pan n TYR 507 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pan n GLY 508 N 1.42 0.98 3.74 2.72 0.00 -0.76 -4.30 105.19 109.00 2pan n GLY 508 Ca 0.06 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2pan n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 509 N 0.00 2.64 -0.85 1.61 1.01 -1.26 -4.48 120.40 119.07 2pan s VAL 509 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2pan s VAL 509 Cb 0.00 -3.34 0.16 0.00 0.00 0.00 0.00 36.38 33.19 2pan s VAL 509 CO 0.00 0.08 0.95 -0.62 0.00 0.00 0.00 175.10 175.52 2pan s ASP 510 N 0.37 6.61 0.45 3.32 -1.08 -1.26 -4.91 116.67 120.17 2pan s ASP 510 Ca 0.60 -2.16 0.18 0.00 -0.52 0.00 0.00 52.55 50.65 2pan s ASP 510 Cb -0.42 -2.32 1.06 0.00 -1.46 0.00 0.00 42.92 39.77 2pan s ASP 510 CO 0.43 -0.92 1.96 0.45 0.52 0.00 0.00 175.17 177.62 2pan h HIS 511 N 8.55 0.00 -0.16 -5.34 3.86 -1.99 -2.02 115.15 118.05 2pan h HIS 511 Ca 0.07 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 2pan h HIS 511 Cb 1.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 2pan h HIS 511 CO 1.08 0.22 -0.00 0.28 0.86 0.00 0.00 177.93 180.37 2pan h VAL 512 N 0.00 1.25 -0.72 2.45 2.07 -1.95 -0.33 116.25 119.02 2pan h VAL 512 Ca -0.00 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 2pan h VAL 512 Cb 0.44 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2pan h VAL 512 CO 0.03 0.25 0.18 0.11 0.02 0.00 0.00 177.57 178.16 2pan h LYS 513 N 0.02 1.14 -0.28 1.57 1.57 -1.93 -1.45 116.57 117.22 2pan h LYS 513 Ca 0.04 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2pan h LYS 513 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2pan h LYS 513 CO 0.01 1.00 0.10 0.28 -0.57 0.00 0.00 179.45 180.26 2pan h VAL 514 N 1.08 1.19 -0.65 0.50 2.07 -1.34 -1.34 116.25 117.76 2pan h VAL 514 Ca 0.23 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2pan h VAL 514 Cb 0.36 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2pan h VAL 514 CO 0.00 0.20 0.21 0.00 0.02 0.00 0.00 177.57 178.00 2pan h ALA 515 N 0.93 0.85 -0.41 1.67 0.00 -0.97 -1.90 119.26 119.43 2pan h ALA 515 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2pan h ALA 515 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pan h ALA 515 CO -0.00 0.52 -0.11 0.93 0.00 0.00 0.00 179.25 180.59 2pan h GLU 516 N 0.94 0.80 -0.59 0.00 5.08 -1.22 -1.15 114.58 118.43 2pan h GLU 516 Ca 0.21 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2pan h GLU 516 Cb 0.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2pan h GLU 516 CO -0.01 0.93 0.39 0.78 -1.00 0.00 0.00 179.01 180.10 2pan h GLY 517 N 0.62 0.79 1.10 -3.84 0.00 -1.11 -0.96 103.07 99.67 2pan h GLY 517 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2pan h GLY 517 CO 0.04 0.24 0.00 1.04 0.00 0.00 0.00 176.54 177.87 2pan n LEU 518 N -4.46 0.00 0.00 3.11 4.77 -0.73 -4.89 117.00 114.81 2pan n LEU 518 Ca 0.07 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2pan n LEU 518 Cb 0.13 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pan n LEU 518 CO 0.35 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2pan n GLY 519 N 0.87 0.98 3.96 -0.72 0.00 -0.36 -3.95 105.19 105.96 2pan n GLY 519 Ca 0.20 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2pan n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pan s LYS 521 N -4.44 2.80 -0.15 0.00 -0.14 -1.08 -3.97 119.74 112.76 2pan s LYS 521 Ca 0.46 -0.85 -0.17 0.00 -1.36 0.00 0.00 55.97 54.06 2pan s LYS 521 Cb -0.04 -2.62 0.04 0.00 -1.68 0.00 0.00 37.83 33.53 2pan s LYS 521 CO 0.29 0.51 0.46 0.00 -0.76 0.00 0.00 175.35 175.84 2pan s ALA 522 N -1.61 -1.13 -0.03 5.17 0.00 -1.26 -0.78 121.76 122.12 2pan s ALA 522 Ca 0.30 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.50 2pan s ALA 522 Cb -0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 2pan s ALA 522 CO 0.22 -0.23 -0.14 0.42 0.00 0.00 0.00 175.76 176.03 2pan s ILE 523 N 0.02 1.14 -0.10 0.00 1.01 0.29 -4.95 121.20 118.61 2pan s ILE 523 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2pan s ILE 523 Cb -0.03 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2pan s ILE 523 CO 0.01 0.33 -0.05 -0.60 0.00 0.00 0.00 174.94 174.63 2pan s ARG 524 N -0.06 3.05 -0.10 2.79 3.52 -1.26 -0.07 118.95 126.82 2pan s ARG 524 Ca 0.00 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2pan s ARG 524 Cb -0.08 -2.70 0.01 0.00 -1.56 0.00 0.00 34.95 30.61 2pan s ARG 524 CO 0.01 0.54 -0.17 0.08 -0.81 0.00 0.00 175.30 174.95 2pan s VAL 525 N -0.46 1.55 -0.07 7.11 1.01 0.41 -4.97 120.40 124.98 2pan s VAL 525 Ca 0.07 -0.70 0.17 0.00 0.00 0.00 0.00 61.98 61.52 2pan s VAL 525 Cb -0.12 -1.40 -0.25 0.00 0.00 0.00 0.00 36.38 34.61 2pan s VAL 525 CO 0.02 0.45 0.27 0.49 0.00 0.00 0.00 175.10 176.33 2pan n PHE 526 N 3.97 0.00 -4.85 5.22 3.72 -1.26 -1.67 117.46 122.60 2pan n PHE 526 Ca -0.20 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 2pan n PHE 526 Cb 0.52 -0.55 -0.15 0.00 -0.94 0.00 0.00 39.48 38.36 2pan n PHE 526 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2pan s LYS 527 N -2.92 1.74 0.34 -1.08 1.02 -1.26 -4.40 119.74 113.18 2pan s LYS 527 Ca -0.07 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 54.82 2pan s LYS 527 Cb 0.09 -1.95 0.60 0.00 -0.52 0.00 0.00 37.83 36.05 2pan s LYS 527 CO 0.71 0.50 1.96 -1.35 -0.92 0.00 0.00 175.35 176.25 2pan h PRO 528 N 4.71 0.76 0.00 -1.68 0.11 -1.88 -2.19 132.00 131.83 2pan h PRO 528 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2pan h PRO 528 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2pan h PRO 528 CO 0.43 0.58 0.00 1.05 -0.21 0.00 0.00 178.00 179.85 2pan h GLU 529 N 0.76 0.00 -0.01 1.05 9.09 -1.95 -2.80 114.58 120.72 2pan h GLU 529 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2pan h GLU 529 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 2pan h GLU 529 CO -0.03 0.00 -0.06 -0.25 0.05 0.00 0.00 179.01 178.72 2pan n ASP 530 N -2.68 0.78 -0.03 3.06 8.00 -0.82 -4.25 116.55 120.61 2pan n ASP 530 Ca 0.01 -1.02 -0.14 0.00 0.71 0.00 0.00 54.79 54.35 2pan n ASP 530 Cb 0.27 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 2pan n ASP 530 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2pan h ILE 531 N 1.12 1.45 0.20 0.53 2.04 -1.58 -2.70 117.51 118.57 2pan h ILE 531 Ca 0.00 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.37 2pan h ILE 531 Cb 0.34 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2pan h ILE 531 CO 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 178.15 178.38 2pan h ALA 532 N 0.43 -0.37 -0.49 1.87 0.00 -1.78 -2.18 119.26 116.74 2pan h ALA 532 Ca -0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2pan h ALA 532 Cb 0.71 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2pan h ALA 532 CO 0.02 -0.73 0.32 -1.35 0.00 0.00 0.00 179.25 177.52 2pan h PRO 533 N -0.39 0.45 -0.64 0.00 0.11 -1.79 -2.40 132.00 127.34 2pan h PRO 533 Ca -0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2pan h PRO 533 Cb 0.36 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2pan h PRO 533 CO -0.03 0.30 0.26 0.00 -0.21 0.00 0.00 178.00 178.32 2pan h ALA 534 N 1.73 0.83 -0.57 -0.75 0.00 -1.10 -0.36 119.26 119.04 2pan h ALA 534 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2pan h ALA 534 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2pan h ALA 534 CO -0.05 0.43 0.14 0.74 0.00 0.00 0.00 179.25 180.51 2pan h PHE 535 N 0.89 0.91 -0.30 0.00 0.04 -0.92 0.10 116.94 117.66 2pan h PHE 535 Ca 0.21 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 2pan h PHE 535 Cb 0.19 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2pan h PHE 535 CO 0.01 0.76 0.01 0.93 -0.60 0.00 0.00 178.31 179.42 2pan h GLU 536 N 0.85 0.53 -0.66 1.51 4.39 -1.17 -1.83 114.58 118.20 2pan h GLU 536 Ca 0.18 -0.16 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2pan h GLU 536 Cb 0.31 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 2pan h GLU 536 CO -0.00 0.66 0.35 1.96 -1.16 0.00 0.00 179.01 180.82 2pan h GLN 537 N 0.33 0.62 -0.56 2.33 4.20 -0.78 -2.50 115.11 118.74 2pan h GLN 537 Ca 0.09 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2pan h GLN 537 Cb 0.42 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2pan h GLN 537 CO 0.01 0.41 0.37 0.00 -0.67 0.00 0.00 178.83 178.95 2pan h ALA 538 N 1.37 0.72 -0.97 3.87 0.00 -0.61 -1.37 119.26 122.26 2pan h ALA 538 Ca 0.31 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2pan h ALA 538 Cb 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2pan h ALA 538 CO -0.21 0.15 0.64 0.87 0.00 0.00 0.00 179.25 180.70 2pan h LYS 539 N 0.76 1.24 -0.17 0.00 1.57 -1.09 -2.96 116.57 115.92 2pan h LYS 539 Ca 0.21 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2pan h LYS 539 Cb -0.08 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 2pan h LYS 539 CO -0.05 0.82 -0.01 0.00 -0.57 0.00 0.00 179.45 179.65 2pan h ALA 540 N 1.41 0.23 0.00 3.86 0.00 -1.01 -2.84 119.26 120.91 2pan h ALA 540 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pan h ALA 540 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pan h ALA 540 CO -0.09 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.39 2pan n LEU 541 N -4.72 0.10 0.00 0.00 4.77 -0.56 -2.58 117.00 114.02 2pan n LEU 541 Ca -0.05 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2pan n LEU 541 Cb 0.23 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2pan n LEU 541 CO 0.37 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 2pan n ALA 543 N 0.96 0.00 0.03 -1.18 0.00 -1.07 -1.18 120.51 118.06 2pan n ALA 543 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2pan n ALA 543 Cb 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 2pan n ALA 543 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2pan h GLN 544 N 0.00 0.29 0.00 0.00 3.07 -1.81 -3.39 115.11 113.27 2pan h GLN 544 Ca 0.00 -0.50 -0.12 0.00 0.09 0.00 0.00 58.65 58.13 2pan h GLN 544 Cb 0.00 0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 2pan h GLN 544 CO 0.00 1.24 -1.43 0.66 0.09 0.00 0.00 178.83 179.38 2pan n TYR 545 N -3.82 0.80 -3.38 0.06 4.02 -0.32 -5.00 117.16 109.52 2pan n TYR 545 Ca -0.25 0.26 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 2pan n TYR 545 Cb 0.95 -0.98 0.07 0.00 -0.02 0.00 0.00 39.34 39.37 2pan n TYR 545 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2pan n ARG 546 N -2.75 -6.51 -4.19 -0.72 5.12 -1.25 -5.02 116.66 101.35 2pan n ARG 546 Ca -0.08 0.71 -0.11 0.00 -1.93 0.00 0.00 57.85 56.44 2pan n ARG 546 Cb 0.75 -5.39 -0.10 0.00 -1.16 0.00 0.00 32.46 26.55 2pan n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pan s VAL 547 N -3.28 0.43 0.34 1.55 -7.23 -1.26 -3.61 120.40 107.33 2pan s VAL 547 Ca 0.36 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 58.31 2pan s VAL 547 Cb -0.16 -2.00 -0.12 0.00 0.56 0.00 0.00 36.38 34.66 2pan s VAL 547 CO 0.62 -0.55 1.34 -2.65 -0.31 0.00 0.00 175.10 173.55 2pan n PRO 548 N -0.14 2.25 -4.04 4.82 -0.02 -1.24 -4.16 135.00 132.47 2pan n PRO 548 Ca -0.07 0.79 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 2pan n PRO 548 Cb 0.63 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 2pan n PRO 548 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pan s VAL 549 N -1.04 1.70 -0.17 -1.45 1.01 -0.54 -2.62 120.40 117.29 2pan s VAL 549 Ca 0.55 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 2pan s VAL 549 Cb -0.55 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2pan s VAL 549 CO 0.62 0.44 0.38 -0.69 0.00 0.00 0.00 175.10 175.84 2pan s VAL 550 N 1.43 5.24 -0.39 2.92 1.01 0.04 -1.10 120.40 129.54 2pan s VAL 550 Ca 0.04 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 2pan s VAL 550 Cb -0.13 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.62 2pan s VAL 550 CO -0.11 0.31 0.17 -0.69 0.00 0.00 0.00 175.10 174.79 2pan s VAL 551 N 0.89 3.51 -0.15 2.92 1.01 0.16 -0.55 120.40 128.19 2pan s VAL 551 Ca 0.19 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 2pan s VAL 551 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2pan s VAL 551 CO 0.07 -0.50 0.62 -0.70 0.00 0.00 0.00 175.10 174.59 2pan s GLU 552 N 1.26 4.29 -0.20 2.72 2.12 0.90 -0.75 118.70 129.03 2pan s GLU 552 Ca 0.03 0.64 -0.04 0.00 0.36 0.00 0.00 54.97 55.97 2pan s GLU 552 Cb -0.22 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 2pan s GLU 552 CO -0.02 -0.10 -0.04 0.08 -0.54 0.00 0.00 175.26 174.65 2pan s VAL 553 N 1.43 3.60 -0.48 3.70 1.01 0.51 -0.44 120.40 129.72 2pan s VAL 553 Ca 0.30 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2pan s VAL 553 Cb -0.16 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2pan s VAL 553 CO 0.12 0.44 1.12 -0.63 0.00 0.00 0.00 175.10 176.15 2pan s ILE 554 N 1.06 4.23 0.51 2.22 -1.09 -0.67 -1.22 121.20 126.24 2pan s ILE 554 Ca 0.01 1.16 -0.04 0.00 -2.23 0.00 0.00 60.65 59.55 2pan s ILE 554 Cb -0.15 -4.59 -0.01 0.00 -1.58 0.00 0.00 42.46 36.13 2pan s ILE 554 CO 0.00 -1.01 0.80 -0.76 -1.23 0.00 0.00 174.94 172.75 2pan s LEU 555 N 4.40 3.49 0.59 2.97 1.43 0.18 -3.19 118.68 128.55 2pan s LEU 555 Ca 0.47 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 54.07 2pan s LEU 555 Cb -0.07 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2pan s LEU 555 CO 0.31 -0.78 1.25 -1.83 0.23 0.00 0.00 176.35 175.53 2pan s GLU 556 N -4.79 2.93 0.16 1.70 -1.05 -0.02 -4.68 118.70 112.96 2pan s GLU 556 Ca 0.50 1.95 -0.12 0.00 -0.15 0.00 0.00 54.97 57.14 2pan s GLU 556 Cb -0.10 -1.98 0.04 0.00 -0.44 0.00 0.00 34.13 31.64 2pan s GLU 556 CO 0.43 -1.27 1.64 0.00 0.95 0.00 0.00 175.26 177.02 2pan h ARG 557 N 0.95 0.89 -4.61 -4.83 2.47 -1.92 -3.42 114.38 103.91 2pan h ARG 557 Ca -0.51 -0.24 -0.61 0.00 -1.26 0.00 0.00 59.98 57.36 2pan h ARG 557 Cb 1.31 -0.10 -0.36 0.00 -1.65 0.00 0.00 29.97 29.16 2pan h ARG 557 CO 0.55 0.87 -0.82 0.08 0.56 0.00 0.00 179.97 181.21 2pan s VAL 558 N -5.18 1.58 -0.04 2.04 1.01 -1.26 -4.88 120.40 113.68 2pan s VAL 558 Ca -0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2pan s VAL 558 Cb 0.12 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2pan s VAL 558 CO 0.82 0.34 0.02 -0.89 0.00 0.00 0.00 175.10 175.38 2pan s THR 559 N 1.46 0.09 -0.37 3.92 2.01 -1.26 -5.13 115.64 116.35 2pan s THR 559 Ca 0.02 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.04 2pan s THR 559 Cb -0.14 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.13 2pan s THR 559 CO -0.10 0.16 0.50 0.20 -0.69 0.00 0.00 174.62 174.69 2pan s ASN 560 N 1.41 6.28 0.34 3.53 0.02 -1.26 -5.02 114.94 120.23 2pan s ASN 560 Ca -0.04 -0.20 -0.19 0.00 -1.02 0.00 0.00 52.86 51.40 2pan s ASN 560 Cb -0.13 -2.26 -0.10 0.00 0.02 0.00 0.00 41.25 38.79 2pan s ASN 560 CO -0.03 -0.52 0.82 -0.63 0.02 0.00 0.00 177.10 176.76 2pan s ILE 561 N 2.36 4.52 0.41 0.60 -1.09 -1.26 -4.00 121.20 122.75 2pan s ILE 561 Ca 0.17 1.26 -0.26 0.00 -2.23 0.00 0.00 60.65 59.59 2pan s ILE 561 Cb -0.16 -3.69 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2pan s ILE 561 CO 0.14 -0.13 1.33 -0.44 -1.23 0.00 0.00 174.94 174.62 2pan s SER 562 N -2.07 6.23 -0.07 3.58 0.01 -1.26 -4.84 113.70 115.28 2pan s SER 562 Ca 0.54 2.72 -0.30 0.00 1.31 0.00 0.00 55.95 60.22 2pan s SER 562 Cb -0.12 -2.64 0.10 0.00 0.21 0.00 0.00 66.02 63.57 2pan s SER 562 CO 0.17 -0.91 1.35 -0.83 0.41 0.00 0.00 173.24 173.43 2pan s GLY 564 N -0.67 -0.23 0.00 3.44 0.00 -0.81 -4.78 107.32 104.28 2pan s GLY 564 Ca 0.57 0.22 0.23 0.00 0.00 0.00 0.00 44.72 45.74 2pan s GLY 564 CO 0.51 5.65 1.09 -1.14 0.00 0.00 0.00 173.10 179.21 2pan n SER 565 N -0.95 1.16 -3.99 1.64 3.41 -1.26 -4.71 113.62 108.91 2pan n SER 565 Ca 0.04 -0.98 -0.08 0.00 -0.26 0.00 0.00 58.87 57.58 2pan n SER 565 Cb 0.59 0.67 -0.09 0.00 -0.26 0.00 0.00 64.21 65.12 2pan n SER 565 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pan s GLU 566 N -2.84 0.63 0.35 4.33 0.41 -1.26 -4.40 118.70 115.92 2pan s GLU 566 Ca 0.12 -1.00 0.04 0.00 -0.41 0.00 0.00 54.97 53.73 2pan s GLU 566 Cb 0.17 0.23 0.69 0.00 -1.78 0.00 0.00 34.13 33.44 2pan s GLU 566 CO 0.74 -0.15 1.97 -0.07 -0.49 0.00 0.00 175.26 177.27 2pan h LEU 567 N 3.32 0.71 -1.57 1.80 3.38 -1.86 -1.72 115.31 119.36 2pan h LEU 567 Ca -0.33 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2pan h LEU 567 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2pan h LEU 567 CO 0.58 0.48 0.00 -0.90 0.09 0.00 0.00 178.44 178.69 2pan n ASP 568 N -4.46 2.30 -0.16 -0.43 3.85 -1.26 -4.15 116.55 112.24 2pan n ASP 568 Ca 0.09 -2.13 0.00 0.00 -0.71 0.00 0.00 54.79 52.05 2pan n ASP 568 Cb 0.16 -0.34 0.01 0.00 -1.35 0.00 0.00 41.12 39.59 2pan n ASP 568 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2pan n ASN 569 N 0.47 0.23 -2.47 -1.12 5.15 -0.66 -5.16 115.26 111.71 2pan n ASN 569 Ca 0.12 -1.46 0.00 0.00 -0.60 0.00 0.00 54.58 52.64 2pan n ASN 569 Cb 0.42 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 2pan n ASN 569 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2pan n VAL 570 N -0.09 0.00 -3.15 3.44 0.31 -1.15 -4.41 118.33 113.28 2pan n VAL 570 Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 2pan n VAL 570 Cb 0.55 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.23 2pan n VAL 570 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2pan s GLU 572 N -2.74 0.56 -0.17 5.55 0.41 -1.26 -4.91 118.70 116.14 2pan s GLU 572 Ca 0.00 0.99 -0.15 0.00 -0.41 0.00 0.00 54.97 55.40 2pan s GLU 572 Cb 0.00 0.55 -0.22 0.00 -1.78 0.00 0.00 34.13 32.68 2pan s GLU 572 CO 0.00 -0.62 0.25 1.19 -0.49 0.00 0.00 175.26 175.60 2pan n PHE 573 N 5.43 1.08 -2.11 1.61 3.01 -1.26 -4.94 117.46 120.27 2pan n PHE 573 Ca -0.01 0.34 -0.28 0.00 1.01 0.00 0.00 57.45 58.52 2pan n PHE 573 Cb 0.51 -1.12 0.06 0.00 -0.01 0.00 0.00 39.48 38.92 2pan n PHE 573 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pan s GLU 574 N -2.46 2.45 0.23 -1.08 0.41 -1.26 -5.00 118.70 112.00 2pan s GLU 574 Ca -0.26 0.04 -0.32 0.00 -0.41 0.00 0.00 54.97 54.02 2pan s GLU 574 Cb 0.07 -2.11 -0.12 0.00 -1.78 0.00 0.00 34.13 30.18 2pan s GLU 574 CO 0.67 -1.15 1.64 -0.25 -0.49 0.00 0.00 175.26 175.67 2pan n ASP 575 N -2.95 3.72 -4.21 -0.19 10.43 -1.26 -4.96 116.55 117.13 2pan n ASP 575 Ca 0.07 1.10 -0.29 0.00 2.57 0.00 0.00 54.79 58.23 2pan n ASP 575 Cb 0.59 -1.55 0.18 0.00 1.84 0.00 0.00 41.12 42.18 2pan n ASP 575 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2pan s ILE 576 N 0.66 2.01 -0.08 0.53 -4.36 -1.26 -1.99 121.20 116.71 2pan s ILE 576 Ca 0.72 -0.03 -0.16 0.00 -0.26 0.00 0.00 60.65 60.92 2pan s ILE 576 Cb -0.54 -2.98 0.03 0.00 1.25 0.00 0.00 42.46 40.23 2pan s ILE 576 CO 0.40 0.00 0.39 0.00 0.24 0.00 0.00 174.94 175.96 2pan s ALA 577 N -3.83 -0.98 0.00 2.27 0.00 -0.40 -4.11 121.76 114.71 2pan s ALA 577 Ca 0.73 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2pan s ALA 577 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2pan s ALA 577 CO 0.52 -0.24 0.86 -0.40 0.00 0.00 0.00 175.76 176.50 2pan n ASP 578 N 1.90 1.49 -3.95 0.00 3.85 -1.26 -1.37 116.55 117.21 2pan n ASP 578 Ca -0.18 -1.74 -0.10 0.00 -0.71 0.00 0.00 54.79 52.07 2pan n ASP 578 Cb 0.57 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.27 2pan n ASP 578 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2pan s ASN 579 N -0.74 0.00 0.36 -1.12 4.22 -1.26 -4.67 114.94 111.73 2pan s ASN 579 Ca 0.00 -0.85 0.19 0.00 -2.14 0.00 0.00 52.86 50.05 2pan s ASN 579 Cb 0.00 0.46 0.53 0.00 1.28 0.00 0.00 41.25 43.52 2pan s ASN 579 CO 0.00 -0.93 1.66 0.00 -2.04 0.00 0.00 177.10 175.78 2pan h ALA 580 N 2.48 0.89 -0.92 3.54 0.00 -1.92 -3.10 119.26 120.23 2pan h ALA 580 Ca -0.31 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.37 2pan h ALA 580 Cb 1.23 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2pan h ALA 580 CO 0.46 0.47 0.55 0.00 0.00 0.00 0.00 179.25 180.73 2pan h ALA 581 N 1.62 1.36 0.00 0.00 0.00 -1.97 0.16 119.26 120.43 2pan h ALA 581 Ca -0.00 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2pan h ALA 581 Cb 1.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2pan h ALA 581 CO 0.05 0.14 -1.07 -0.44 0.00 0.00 0.00 179.25 177.92 2pan h ASP 582 N 0.87 0.00 -2.07 0.00 3.32 -1.93 -3.41 116.42 113.20 2pan h ASP 582 Ca 0.46 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.96 2pan h ASP 582 Cb 0.47 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.62 2pan h ASP 582 CO -0.27 0.73 -0.97 0.00 -1.72 0.00 0.00 179.24 177.00 2pan n ALA 583 N -2.36 2.92 0.47 3.45 0.00 -0.86 -0.49 120.51 123.64 2pan n ALA 583 Ca -0.05 -3.83 0.09 0.00 0.00 0.00 0.00 53.44 49.65 2pan n ALA 583 Cb 0.87 -0.85 0.39 0.00 0.00 0.00 0.00 19.45 19.86 2pan n ALA 583 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pan n PRO 584 N 0.78 0.09 -0.36 0.00 -0.04 -0.01 -3.34 135.00 132.12 2pan n PRO 584 Ca 0.25 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 2pan n PRO 584 Cb 0.52 -1.67 0.26 0.00 -0.04 0.00 0.00 33.50 32.58 2pan n PRO 584 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pan n THR 585 N -1.83 1.35 -1.93 0.52 -2.24 -1.26 -4.81 114.28 104.08 2pan n THR 585 Ca 0.03 -1.15 -0.40 0.00 -2.27 0.00 0.00 64.05 60.26 2pan n THR 585 Cb 0.20 0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2pan n THR 585 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pan s GLU 586 N -1.42 4.03 0.55 -0.78 0.41 -1.21 -4.90 118.70 115.38 2pan s GLU 586 Ca 0.39 2.36 0.28 0.00 -0.41 0.00 0.00 54.97 57.59 2pan s GLU 586 Cb 0.23 -2.87 1.63 0.00 -1.78 0.00 0.00 34.13 31.35 2pan s GLU 586 CO 0.21 -0.52 2.16 1.79 -0.49 0.00 0.00 175.26 178.42 2pan h THR 587 N 2.71 0.55 0.00 3.63 1.35 -1.92 -0.47 112.91 118.75 2pan h THR 587 Ca -0.50 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2pan h THR 587 Cb 1.24 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2pan h THR 587 CO 0.63 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.96 2pan n PHE 589 N -2.72 2.10 -4.37 0.00 0.99 -0.19 -5.18 117.46 108.09 2pan n PHE 589 Ca 0.03 -0.85 -0.22 0.00 -0.00 0.00 0.00 57.45 56.42 2pan n PHE 589 Cb 0.41 -0.54 -0.16 0.00 -1.00 0.00 0.00 39.48 38.18 2pan n PHE 589 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 2pan s HIS 591 N -2.83 1.05 -0.31 1.38 2.46 -1.26 -4.99 115.29 110.79 2pan s HIS 591 Ca 0.54 -0.34 -0.12 0.00 0.47 0.00 0.00 55.06 55.61 2pan s HIS 591 Cb 0.42 -0.82 -0.03 0.00 -0.13 0.00 0.00 32.58 32.02 2pan s HIS 591 CO 0.15 -0.21 0.22 0.71 -2.47 0.00 0.00 174.74 173.14 2pan s TYR 592 N 0.69 3.22 0.00 3.88 1.51 -1.26 -5.13 117.35 120.26 2pan s TYR 592 Ca -0.12 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2pan s TYR 592 Cb -0.14 -2.43 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 2pan s TYR 592 CO 0.02 -0.28 0.00 0.39 -1.11 0.00 0.00 175.55 174.57