#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jum h LEU 3 N 0.00 0.00 0.18 1.20 5.85 -1.99 0.53 115.31 121.07 1jum h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jum h LEU 3 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jum h LEU 3 CO 0.00 0.00 -0.08 0.50 -0.34 0.00 0.00 178.44 178.52 1jum h LYS 4 N 0.00 -0.23 -0.59 1.25 3.64 -2.00 -2.82 116.57 115.82 1jum h LYS 4 Ca 0.40 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 1jum h LYS 4 Cb 1.69 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.54 1jum h LYS 4 CO -0.00 -0.01 0.26 -0.44 -2.27 0.00 0.00 179.45 176.98 1jum h ASP 5 N -0.41 0.76 -0.13 4.20 3.32 -0.46 -1.78 116.42 121.92 1jum h ASP 5 Ca -0.02 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 1jum h ASP 5 Cb 0.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1jum h ASP 5 CO 0.04 0.67 -0.11 0.50 -1.72 0.00 0.00 179.24 178.62 1jum h LYS 6 N 0.84 0.47 -0.32 3.56 3.64 -1.06 0.40 116.57 124.09 1jum h LYS 6 Ca 0.20 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1jum h LYS 6 Cb 0.12 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1jum h LYS 6 CO -0.02 0.58 -0.07 0.82 -2.27 0.00 0.00 179.45 178.49 1jum h ILE 7 N 0.44 1.28 0.43 2.00 2.04 -1.09 -1.05 117.51 121.55 1jum h ILE 7 Ca 0.08 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1jum h ILE 7 Cb 0.46 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1jum h ILE 7 CO 0.03 0.36 -0.20 -0.07 0.00 0.00 0.00 178.15 178.26 1jum h LEU 8 N 0.39 -0.48 0.05 1.44 3.38 -0.92 -1.95 115.31 117.21 1jum h LEU 8 Ca 0.08 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jum h LEU 8 Cb 0.55 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1jum h LEU 8 CO 0.03 -0.30 -0.50 1.23 0.09 0.00 0.00 178.44 178.99 1jum h GLY 9 N -0.63 -1.02 1.63 0.83 0.00 -0.14 -1.28 103.07 102.47 1jum h GLY 9 Ca -0.06 0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.91 1jum h GLY 9 CO 0.10 -0.25 0.16 -2.08 0.00 0.00 0.00 176.54 174.47 1jum h VAL 10 N -0.67 0.97 0.24 4.60 2.07 -1.24 -2.76 116.25 119.45 1jum h VAL 10 Ca 0.02 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1jum h VAL 10 Cb 0.72 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1jum h VAL 10 CO -0.32 0.03 -0.12 0.00 0.02 0.00 0.00 177.57 177.18 1jum h ALA 11 N 1.87 -0.33 -0.73 1.67 0.00 -0.67 -0.80 119.26 120.27 1jum h ALA 11 Ca 0.10 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1jum h ALA 11 Cb 0.21 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 1jum h ALA 11 CO -0.02 -0.45 -0.25 -0.22 0.00 0.00 0.00 179.25 178.31 1jum h LYS 12 N -0.79 -0.05 -0.07 0.00 3.64 -0.98 0.38 116.57 118.70 1jum h LYS 12 Ca -0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1jum h LYS 12 Cb 0.51 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1jum h LYS 12 CO 0.06 -0.03 -0.07 0.93 -2.27 0.00 0.00 179.45 178.07 1jum h GLU 13 N -0.05 -0.08 -0.52 1.90 4.39 -1.51 -0.33 114.58 118.38 1jum h GLU 13 Ca 0.32 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.09 1jum h GLU 13 Cb 0.56 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1jum h GLU 13 CO -0.77 -0.05 0.22 1.25 -1.16 0.00 0.00 179.01 178.49 1jum h LEU 14 N -0.08 0.26 -1.18 1.33 5.85 0.71 0.39 115.31 122.59 1jum h LEU 14 Ca 0.05 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1jum h LEU 14 Cb 0.16 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1jum h LEU 14 CO -0.12 0.18 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.87 1jum h PHE 15 N 0.42 0.56 0.04 1.25 0.05 0.07 0.42 116.94 119.75 1jum h PHE 15 Ca 0.24 -0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 1jum h PHE 15 Cb 0.23 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.02 1jum h PHE 15 CO -0.14 0.57 -0.02 0.82 -0.18 0.00 0.00 178.31 179.36 1jum h ILE 16 N 0.51 1.29 -0.25 -0.55 2.04 -0.34 -0.87 117.51 119.34 1jum h ILE 16 Ca 0.11 -1.14 -0.18 0.00 1.00 0.00 0.00 64.86 64.64 1jum h ILE 16 Cb 0.37 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1jum h ILE 16 CO 0.02 0.29 -0.57 0.50 0.00 0.00 0.00 178.15 178.38 1jum h LYS 17 N -0.57 0.80 -0.00 2.37 1.63 -0.77 -3.37 116.57 116.66 1jum h LYS 17 Ca -0.01 -0.52 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1jum h LYS 17 Cb 0.51 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1jum h LYS 17 CO 0.01 1.15 -0.41 0.09 -3.45 0.00 0.00 179.45 176.84 1jum n ASN 18 N -3.99 0.84 0.00 4.20 3.02 0.15 -5.09 115.26 114.39 1jum n ASN 18 Ca -0.04 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1jum n ASN 18 Cb 0.64 0.79 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 1jum n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jum n GLY 19 N 1.14 -2.59 0.00 7.41 0.00 -0.33 -4.39 105.19 106.43 1jum n GLY 19 Ca 0.03 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1jum n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jum n TYR 20 N -0.17 0.00 -0.09 1.61 9.36 -1.26 -3.62 117.16 122.99 1jum n TYR 20 Ca 0.00 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.48 1jum n TYR 20 Cb 0.00 -0.24 0.71 0.00 -0.63 0.00 0.00 39.34 39.17 1jum n TYR 20 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1jum h ASN 21 N 0.00 0.00 0.78 2.98 4.21 -1.91 -0.32 115.58 121.32 1jum h ASN 21 Ca 0.00 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.35 1jum h ASN 21 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1jum h ASN 21 CO 0.00 0.00 -0.74 0.00 -1.29 0.00 0.00 177.43 175.40 1jum h ALA 22 N 1.38 0.75 -2.75 -0.83 0.00 -1.77 -3.44 119.26 112.60 1jum h ALA 22 Ca 0.36 -0.68 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 1jum h ALA 22 Cb 1.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1jum h ALA 22 CO -0.00 0.93 0.43 0.99 0.00 0.00 0.00 179.25 181.59 1jum s THR 23 N -3.28 3.80 0.13 0.00 2.01 -0.13 -5.00 115.64 113.18 1jum s THR 23 Ca -0.00 1.74 0.08 0.00 0.31 0.00 0.00 61.69 63.82 1jum s THR 23 Cb 0.12 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1jum s THR 23 CO 0.78 0.39 -0.09 0.42 -0.69 0.00 0.00 174.62 175.42 1jum s THR 24 N -0.93 3.32 -0.76 -0.82 -4.23 -1.26 -5.00 115.64 105.96 1jum s THR 24 Ca 0.44 -1.41 0.19 0.00 -1.18 0.00 0.00 61.69 59.73 1jum s THR 24 Cb -0.29 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.14 1jum s THR 24 CO 0.36 0.02 1.59 0.35 -0.54 0.00 0.00 174.62 176.40 1jum n THR 25 N 0.43 0.90 0.11 3.99 -2.24 -1.26 -1.39 114.28 114.81 1jum n THR 25 Ca -0.12 0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 1jum n THR 25 Cb 0.53 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.58 1jum n THR 25 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jum h GLY 26 N 2.48 0.52 0.77 3.38 0.00 -1.99 -1.95 103.07 106.28 1jum h GLY 26 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.08 1jum h GLY 26 CO 0.00 1.07 -0.37 0.83 0.00 0.00 0.00 176.54 178.06 1jum h GLU 27 N 0.16 -1.00 -0.82 4.80 5.08 -1.71 -1.14 114.58 119.95 1jum h GLU 27 Ca -0.18 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.42 1jum h GLU 27 Cb 1.98 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 31.31 1jum h GLU 27 CO 0.23 -0.67 -0.14 0.82 -1.00 0.00 0.00 179.01 178.25 1jum h ILE 28 N -1.18 0.20 -0.32 3.13 2.04 -1.28 0.45 117.51 120.55 1jum h ILE 28 Ca -0.11 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1jum h ILE 28 Cb 0.80 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1jum h ILE 28 CO 0.17 0.00 0.10 0.58 0.00 0.00 0.00 178.15 179.00 1jum h VAL 29 N 0.02 1.21 -0.07 1.67 2.07 -1.27 -2.47 116.25 117.40 1jum h VAL 29 Ca 0.42 -0.67 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 1jum h VAL 29 Cb 0.68 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1jum h VAL 29 CO -0.81 0.23 -0.71 0.50 0.02 0.00 0.00 177.57 176.79 1jum h LYS 30 N 0.35 0.36 0.00 1.57 3.11 0.23 -1.66 116.57 120.54 1jum h LYS 30 Ca 0.10 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1jum h LYS 30 Cb 0.25 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1jum h LYS 30 CO -0.00 0.93 0.00 -0.07 -2.81 0.00 0.00 179.45 177.50 1jum h LEU 31 N 0.25 0.00 -2.27 5.20 3.38 -1.02 -2.93 115.31 117.91 1jum h LEU 31 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jum h LEU 31 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1jum h LEU 31 CO 0.12 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1jum n SER 32 N -2.34 3.19 -3.99 -0.43 3.41 -0.93 -4.95 113.62 107.57 1jum n SER 32 Ca 0.05 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.35 1jum n SER 32 Cb 0.42 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1jum n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jum n GLU 33 N 1.27 -0.94 0.00 4.33 1.02 -1.04 -4.79 120.64 120.48 1jum n GLU 33 Ca 0.17 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1jum n GLU 33 Cb 0.55 -3.32 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 1jum n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jum n SER 34 N -2.49 0.98 -3.84 1.62 2.88 -0.65 -5.07 113.62 107.05 1jum n SER 34 Ca -0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 1jum n SER 34 Cb 0.60 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 1jum n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jum s SER 35 N 1.00 -0.01 0.18 -3.46 1.04 -1.26 -4.79 113.70 106.40 1jum s SER 35 Ca 0.00 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.07 1jum s SER 35 Cb 0.00 0.27 0.13 0.00 0.10 0.00 0.00 66.02 66.52 1jum s SER 35 CO 0.00 -0.48 1.80 0.50 0.98 0.00 0.00 173.24 176.04 1jum h LYS 36 N 3.78 0.54 0.22 4.02 1.63 -1.93 -1.22 116.57 123.60 1jum h LYS 36 Ca -0.31 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.47 1jum h LYS 36 Cb 1.19 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.66 1jum h LYS 36 CO 0.44 0.35 -0.39 0.78 -3.45 0.00 0.00 179.45 177.18 1jum h GLY 37 N 0.55 -0.84 0.20 5.01 0.00 -2.00 -1.33 103.07 104.65 1jum h GLY 37 Ca 0.22 0.47 0.12 0.00 0.00 0.00 0.00 47.33 48.14 1jum h GLY 37 CO -0.14 -0.28 0.16 -0.57 0.00 0.00 0.00 176.54 175.71 1jum h ASN 38 N -0.69 0.06 -0.73 0.19 -0.73 -1.91 -0.53 115.58 111.23 1jum h ASN 38 Ca 0.00 0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.29 1jum h ASN 38 Cb 0.68 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 39.37 1jum h ASN 38 CO -0.17 0.03 0.49 0.25 -0.37 0.00 0.00 177.43 177.66 1jum h LEU 39 N 0.30 0.84 -0.41 0.34 6.46 -0.71 -1.96 115.31 120.17 1jum h LEU 39 Ca 0.33 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.97 1jum h LEU 39 Cb 0.48 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1jum h LEU 39 CO -0.39 0.61 -0.13 0.22 -0.62 0.00 0.00 178.44 178.12 1jum h TYR 40 N 0.99 0.92 -0.50 1.25 3.20 -0.01 -0.82 116.97 122.00 1jum h TYR 40 Ca 0.27 -0.21 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1jum h TYR 40 Cb -0.11 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 37.87 1jum h TYR 40 CO -0.00 0.94 0.10 -0.92 -1.64 0.00 0.00 178.16 176.64 1jum h TYR 41 N 0.62 0.16 0.07 -3.82 3.20 -0.62 0.22 116.97 116.81 1jum h TYR 41 Ca 0.10 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.78 1jum h TYR 41 Cb 0.67 0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.96 1jum h TYR 41 CO 0.05 -0.01 -0.91 0.45 -1.64 0.00 0.00 178.16 176.11 1jum h HIS 42 N 0.23 0.78 0.00 -3.82 3.86 -1.31 -3.42 115.15 111.48 1jum h HIS 42 Ca 0.25 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1jum h HIS 42 Cb 0.33 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1jum h HIS 42 CO -0.23 1.32 -0.47 1.19 0.86 0.00 0.00 177.93 180.61 1jum n PHE 43 N -4.02 0.00 0.00 2.45 3.01 -0.32 -5.02 117.46 113.55 1jum n PHE 43 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1jum n PHE 43 Cb 0.83 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 1jum n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jum n LYS 44 N -1.06 0.00 -4.17 -1.08 4.01 0.78 -4.56 118.16 112.07 1jum n LYS 44 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1jum n LYS 44 Cb 0.00 -0.03 -0.10 0.00 -0.51 0.00 0.00 35.03 34.39 1jum n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jum s THR 45 N 0.00 0.06 0.28 -0.18 -4.23 -1.26 -4.86 115.64 105.45 1jum s THR 45 Ca 0.00 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1jum s THR 45 Cb 0.00 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1jum s THR 45 CO 0.00 -0.25 1.64 0.50 -0.54 0.00 0.00 174.62 175.97 1jum h LYS 46 N 2.75 0.07 -0.45 3.99 3.64 -1.99 -1.06 116.57 123.52 1jum h LYS 46 Ca -0.35 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.88 1jum h LYS 46 Cb 1.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1jum h LYS 46 CO 0.56 0.61 -0.11 0.93 -2.27 0.00 0.00 179.45 179.17 1jum h GLU 47 N 0.06 0.83 0.02 1.90 3.07 -1.95 0.03 114.58 118.54 1jum h GLU 47 Ca -0.00 -0.28 -0.21 0.00 -0.50 0.00 0.00 59.36 58.36 1jum h GLU 47 Cb 1.00 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1jum h GLU 47 CO 0.08 0.90 -0.96 -0.91 -1.40 0.00 0.00 179.01 176.72 1jum h ASN 48 N 0.75 0.16 0.52 1.42 4.21 -1.76 -1.15 115.58 119.73 1jum h ASN 48 Ca 0.12 -0.15 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 1jum h ASN 48 Cb 0.61 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1jum h ASN 48 CO 0.04 1.03 -0.33 0.25 -1.29 0.00 0.00 177.43 177.13 1jum h LEU 49 N 0.05 -0.85 -0.54 1.61 6.46 -0.83 -0.27 115.31 120.95 1jum h LEU 49 Ca -0.04 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1jum h LEU 49 Cb 1.65 0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 41.77 1jum h LEU 49 CO 0.14 -0.52 0.17 0.15 -0.62 0.00 0.00 178.44 177.76 1jum h PHE 50 N -0.82 0.28 -0.61 1.25 3.04 -0.95 -1.99 116.94 117.15 1jum h PHE 50 Ca -0.06 0.03 0.07 0.00 3.98 0.00 0.00 57.97 61.99 1jum h PHE 50 Cb 0.67 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.08 1jum h PHE 50 CO -0.11 0.06 0.29 -0.07 -2.02 0.00 0.00 178.31 176.46 1jum h LEU 51 N 0.33 0.38 -0.51 0.59 3.38 -0.78 -2.04 115.31 116.65 1jum h LEU 51 Ca 0.27 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1jum h LEU 51 Cb 0.34 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1jum h LEU 51 CO -0.30 0.24 0.19 -0.08 0.09 0.00 0.00 178.44 178.58 1jum h GLU 52 N 0.53 0.36 0.11 1.13 4.57 -0.32 -1.69 114.58 119.28 1jum h GLU 52 Ca 0.29 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1jum h GLU 52 Cb 0.27 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1jum h GLU 52 CO -0.23 0.24 -0.48 0.82 -1.18 0.00 0.00 179.01 178.18 1jum h ILE 53 N 0.38 0.08 -0.40 2.32 1.08 -0.96 -0.68 117.51 119.32 1jum h ILE 53 Ca 0.24 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.83 1jum h ILE 53 Cb 0.25 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 1jum h ILE 53 CO -0.24 0.00 0.57 -0.07 -0.69 0.00 0.00 178.15 177.72 1jum h LEU 54 N -0.70 0.00 0.23 1.44 4.07 -0.71 0.37 115.31 120.01 1jum h LEU 54 Ca 0.01 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.64 1jum h LEU 54 Cb 0.72 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.50 1jum h LEU 54 CO -0.27 0.00 -1.48 0.78 -1.08 0.00 0.00 178.44 176.38 1jum h ASN 55 N 0.00 0.77 0.38 -0.43 4.21 -0.28 -2.73 115.58 117.49 1jum h ASN 55 Ca 0.19 -0.85 -0.13 0.00 1.21 0.00 0.00 56.30 56.73 1jum h ASN 55 Cb 1.34 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 1jum h ASN 55 CO -0.00 1.67 -0.53 0.40 -1.29 0.00 0.00 177.43 177.68 1jum h ILE 56 N 0.13 1.37 0.16 2.81 2.04 0.42 0.12 117.51 124.56 1jum h ILE 56 Ca -0.25 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 1jum h ILE 56 Cb 2.14 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.14 1jum h ILE 56 CO 0.26 0.53 -0.08 -0.33 0.00 0.00 0.00 178.15 178.53 1jum h GLU 57 N 0.14 -0.21 -0.13 2.37 4.39 -1.02 -2.30 114.58 117.82 1jum h GLU 57 Ca 0.00 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1jum h GLU 57 Cb 0.99 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1jum h GLU 57 CO 0.08 0.19 0.23 1.49 -1.16 0.00 0.00 179.01 179.84 1jum h GLU 58 N -0.69 0.00 0.19 2.33 4.57 -1.36 0.49 114.58 120.11 1jum h GLU 58 Ca -0.02 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.84 1jum h GLU 58 Cb 0.50 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1jum h GLU 58 CO 0.04 0.00 -1.36 1.03 -1.18 0.00 0.00 179.01 177.54 1jum h SER 59 N 0.00 0.86 0.52 1.04 0.87 -0.51 -2.67 113.55 113.66 1jum h SER 59 Ca 0.06 -0.87 -0.03 0.00 -1.23 0.00 0.00 61.79 59.72 1jum h SER 59 Cb 0.52 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1jum h SER 59 CO -0.00 1.66 -0.25 0.11 -0.53 0.00 0.00 176.83 177.82 1jum h LYS 60 N 0.20 -0.67 -0.67 2.24 1.79 0.37 -2.39 116.57 117.44 1jum h LYS 60 Ca -0.22 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.42 1jum h LYS 60 Cb 2.04 0.15 -0.13 0.00 -1.58 0.00 0.00 32.23 32.72 1jum h LYS 60 CO 0.26 -0.38 -0.25 2.35 -1.08 0.00 0.00 179.45 180.35 1jum h TRP 61 N -0.86 -0.62 -0.91 -1.35 2.91 -0.65 1.16 115.95 115.63 1jum h TRP 61 Ca -0.07 0.07 0.18 0.00 1.13 0.00 0.00 58.89 60.20 1jum h TRP 61 Cb 0.60 0.38 -0.11 0.00 -0.51 0.00 0.00 29.16 29.52 1jum h TRP 61 CO -0.01 -0.34 0.48 1.96 -1.03 0.00 0.00 178.44 179.50 1jum h GLN 62 N -0.07 0.58 -0.02 2.65 1.08 -1.38 -0.28 115.11 117.68 1jum h GLN 62 Ca 0.30 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1jum h GLN 62 Cb 0.54 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1jum h GLN 62 CO -0.72 0.39 -0.15 1.49 -0.95 0.00 0.00 178.83 178.89 1jum h GLU 63 N 0.60 0.13 -0.51 1.46 4.22 0.22 -2.27 114.58 118.42 1jum h GLU 63 Ca 0.53 -0.12 0.07 0.00 0.08 0.00 0.00 59.36 59.91 1jum h GLU 63 Cb 0.85 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 1jum h GLU 63 CO -0.41 0.82 -0.51 0.37 -2.18 0.00 0.00 179.01 177.10 1jum h GLN 64 N -0.52 -0.29 -0.24 1.92 5.75 0.20 -0.27 115.11 121.66 1jum h GLN 64 Ca -0.01 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1jum h GLN 64 Cb 0.86 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 1jum h GLN 64 CO 0.03 -0.20 0.16 2.35 -2.65 0.00 0.00 178.83 178.53 1jum h TRP 65 N -0.31 0.27 0.00 3.99 2.91 -1.15 -1.80 115.95 119.87 1jum h TRP 65 Ca 0.12 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1jum h TRP 65 Cb 0.57 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1jum h TRP 65 CO -0.74 0.17 0.00 1.17 -1.03 0.00 0.00 178.44 178.01 1jum n LYS 66 N -4.50 0.11 -0.06 2.65 4.81 -0.12 -2.23 118.16 118.82 1jum n LYS 66 Ca 0.01 0.53 -0.08 0.00 -0.87 0.00 0.00 58.31 57.90 1jum n LYS 66 Cb 0.10 -1.81 -0.07 0.00 0.02 0.00 0.00 35.03 33.28 1jum n LYS 66 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1jum n LYS 67 N -2.03 1.05 0.29 1.64 2.85 -0.71 -4.45 118.16 116.80 1jum n LYS 67 Ca 0.00 0.05 0.19 0.00 -1.05 0.00 0.00 58.31 57.50 1jum n LYS 67 Cb 0.08 -1.27 0.98 0.00 -0.65 0.00 0.00 35.03 34.17 1jum n LYS 67 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1jum h GLU 68 N 0.00 0.00 -0.06 -1.58 4.57 -1.21 -2.45 114.58 113.86 1jum h GLU 68 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1jum h GLU 68 Cb 1.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 1jum h GLU 68 CO -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.81 1jum n GLN 69 N -2.90 1.31 0.24 1.92 10.64 -0.95 -3.40 117.38 124.24 1jum n GLN 69 Ca -0.02 -0.46 0.11 0.00 -1.83 0.00 0.00 57.00 54.80 1jum n GLN 69 Cb 0.12 -1.36 0.56 0.00 -0.86 0.00 0.00 30.24 28.70 1jum n GLN 69 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 1jum h ILE 70 N 0.97 0.55 -0.31 -0.39 2.10 -1.72 -2.15 117.51 116.55 1jum h ILE 70 Ca 0.00 -0.91 0.00 0.00 1.08 0.00 0.00 64.86 65.03 1jum h ILE 70 Cb 0.21 1.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1jum h ILE 70 CO 0.00 0.18 0.00 2.29 -1.08 0.00 0.00 178.15 179.54 1jum n LYS 71 N -3.46 1.74 -4.00 2.19 2.85 -1.22 -4.60 118.16 111.66 1jum n LYS 71 Ca -0.01 -1.13 -0.31 0.00 -1.05 0.00 0.00 58.31 55.82 1jum n LYS 71 Cb 0.36 -1.26 -0.15 0.00 -0.65 0.00 0.00 35.03 33.33 1jum n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jum s ALA 72 N -1.59 2.57 0.00 0.58 0.00 -0.81 -5.00 121.76 117.52 1jum s ALA 72 Ca 0.21 -2.11 -0.23 0.00 0.00 0.00 0.00 51.96 49.83 1jum s ALA 72 Cb 0.11 -1.77 -0.18 0.00 0.00 0.00 0.00 23.12 21.28 1jum s ALA 72 CO 0.14 -1.49 1.28 -0.22 0.00 0.00 0.00 175.76 175.47 1jum h LYS 73 N 7.74 0.19 -6.24 0.00 1.63 -1.83 -3.44 116.57 114.62 1jum h LYS 73 Ca -0.11 -0.11 -0.47 0.00 -0.85 0.00 0.00 60.65 59.12 1jum h LYS 73 Cb 1.03 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 1jum h LYS 73 CO 0.49 0.65 -0.41 0.95 -3.45 0.00 0.00 179.45 177.67 1jum s THR 74 N -4.18 3.93 0.11 1.00 -4.23 -1.26 -5.01 115.64 106.01 1jum s THR 74 Ca -0.15 -1.20 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1jum s THR 74 Cb 0.03 -3.34 0.03 0.00 1.34 0.00 0.00 72.50 70.56 1jum s THR 74 CO 0.72 -0.19 1.57 0.78 -0.54 0.00 0.00 174.62 176.96 1jum h ASN 75 N 1.12 0.00 -0.25 3.99 2.35 -1.90 -1.15 115.58 119.74 1jum h ASN 75 Ca -0.46 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.34 1jum h ASN 75 Cb 1.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.58 1jum h ASN 75 CO 0.57 0.56 -0.02 0.03 -1.65 0.00 0.00 177.43 176.91 1jum h ARG 76 N 0.00 0.05 0.38 0.81 3.08 -1.95 0.05 114.38 116.79 1jum h ARG 76 Ca -0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jum h ARG 76 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1jum h ARG 76 CO 0.07 0.03 -0.29 0.93 -1.07 0.00 0.00 179.97 179.64 1jum h GLU 77 N 0.05 -0.65 -0.66 0.04 5.08 -1.87 -1.65 114.58 114.92 1jum h GLU 77 Ca 0.12 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.71 1jum h GLU 77 Cb 0.17 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1jum h GLU 77 CO -0.22 -0.43 0.54 0.87 -1.00 0.00 0.00 179.01 178.77 1jum h LYS 78 N -0.68 0.00 -0.03 2.33 1.57 -0.62 -0.54 116.57 118.61 1jum h LYS 78 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1jum h LYS 78 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1jum h LYS 78 CO -0.00 0.00 -0.30 0.35 -0.57 0.00 0.00 179.45 178.93 1jum h PHE 79 N 0.00 0.36 -0.57 -1.35 3.57 -0.07 -1.94 116.94 116.94 1jum h PHE 79 Ca 0.31 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1jum h PHE 79 Cb 1.40 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 1jum h PHE 79 CO 0.00 0.94 0.34 1.88 -2.23 0.00 0.00 178.31 179.23 1jum h TYR 80 N -0.32 0.75 -0.27 0.41 0.05 -0.60 -2.30 116.97 114.70 1jum h TYR 80 Ca -0.03 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 1jum h TYR 80 Cb 0.99 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1jum h TYR 80 CO 0.15 0.53 -0.42 1.25 -1.05 0.00 0.00 178.16 178.62 1jum h LEU 81 N 0.76 0.69 -0.24 3.88 5.85 -1.24 -2.53 115.31 122.49 1jum h LEU 81 Ca 0.20 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 1jum h LEU 81 Cb -0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1jum h LEU 81 CO -0.04 1.02 -0.28 0.22 -0.34 0.00 0.00 178.44 179.03 1jum h TYR 82 N 0.53 0.75 -0.92 1.25 3.20 -1.29 -0.95 116.97 119.54 1jum h TYR 82 Ca 0.04 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.70 1jum h TYR 82 Cb 0.95 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1jum h TYR 82 CO 0.04 0.96 0.61 -0.91 -1.64 0.00 0.00 178.16 177.22 1jum h ASN 83 N 0.33 1.03 0.06 -2.11 -0.26 -1.40 -1.80 115.58 111.42 1jum h ASN 83 Ca 0.03 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1jum h ASN 83 Cb 0.84 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1jum h ASN 83 CO 0.07 0.72 -0.03 -0.08 -1.06 0.00 0.00 177.43 177.05 1jum h GLU 84 N 1.20 -0.08 -0.95 0.81 4.81 -1.33 -2.90 114.58 116.14 1jum h GLU 84 Ca 0.35 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.77 1jum h GLU 84 Cb -0.06 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.25 1jum h GLU 84 CO -0.10 0.38 0.60 -0.07 -0.73 0.00 0.00 179.01 179.09 1jum h LEU 85 N -0.56 0.65 -0.99 1.64 3.38 -1.01 0.50 115.31 118.92 1jum h LEU 85 Ca -0.01 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1jum h LEU 85 Cb 0.49 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1jum h LEU 85 CO 0.01 0.27 0.26 0.28 0.09 0.00 0.00 178.44 179.36 1jum h SER 86 N 0.65 0.91 0.05 -0.43 0.02 -1.27 -0.62 113.55 112.86 1jum h SER 86 Ca 0.51 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1jum h SER 86 Cb 0.92 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1jum h SER 86 CO -0.27 0.82 -0.02 0.25 -1.14 0.00 0.00 176.83 176.47 1jum h LEU 87 N 0.97 -0.05 0.35 5.07 5.85 0.03 -3.30 115.31 124.23 1jum h LEU 87 Ca 0.23 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1jum h LEU 87 Cb 0.19 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1jum h LEU 87 CO -0.02 0.63 -0.17 0.71 -0.34 0.00 0.00 178.44 179.25 1jum h THR 88 N -0.80 0.00 0.00 1.05 1.35 -0.62 -3.13 112.91 110.76 1jum h THR 88 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1jum h THR 88 Cb 0.66 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 1jum h THR 88 CO 0.01 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.63 1jum n THR 89 N -3.38 0.00 -0.11 6.82 -2.24 -0.24 -1.59 114.28 113.54 1jum n THR 89 Ca -0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1jum n THR 89 Cb 0.19 -0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 67.83 1jum n THR 89 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1jum n GLU 90 N -0.33 0.74 -0.10 -0.78 -0.00 -1.18 -4.19 120.64 114.80 1jum n GLU 90 Ca 0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 57.16 57.07 1jum n GLU 90 Cb 0.00 -1.51 -0.08 0.00 -0.00 0.00 0.00 31.44 29.86 1jum n GLU 90 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1jum h TYR 91 N 0.00 -1.48 -1.76 -1.84 -1.99 -1.42 -2.70 116.97 105.77 1jum h TYR 91 Ca -0.54 0.07 -0.75 0.00 2.00 0.00 0.00 58.73 59.51 1jum h TYR 91 Cb 2.13 0.69 -0.27 0.00 2.00 0.00 0.00 36.73 41.28 1jum h TYR 91 CO 0.01 -0.49 1.02 2.48 -0.00 0.00 0.00 178.16 181.18 1jum n TYR 92 N -5.41 3.02 -3.84 4.88 0.18 -1.26 -4.82 117.16 109.91 1jum n TYR 92 Ca -0.03 -2.48 -0.30 0.00 1.88 0.00 0.00 57.90 56.97 1jum n TYR 92 Cb 0.36 -1.25 -0.15 0.00 -0.38 0.00 0.00 39.34 37.91 1jum n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1jum s TYR 93 N -3.99 2.44 0.09 -3.48 6.14 -1.02 -5.05 117.35 112.48 1jum s TYR 93 Ca 0.55 -2.15 -0.27 0.00 0.64 0.00 0.00 57.07 55.84 1jum s TYR 93 Cb 0.46 -2.10 -0.10 0.00 0.42 0.00 0.00 41.96 40.63 1jum s TYR 93 CO -0.32 -0.89 1.45 -1.35 0.64 0.00 0.00 175.55 175.07 1jum h PRO 94 N 7.92 -0.45 -0.96 4.97 0.11 -1.87 -2.90 132.00 138.82 1jum h PRO 94 Ca -0.11 0.03 0.36 0.00 0.11 0.00 0.00 66.00 66.40 1jum h PRO 94 Cb 1.02 0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 1jum h PRO 94 CO 0.48 -0.30 0.38 1.28 -0.21 0.00 0.00 178.00 179.63 1jum n LEU 95 N -4.88 0.21 -0.17 2.35 4.77 -1.26 -2.00 117.00 116.02 1jum n LEU 95 Ca -0.05 1.60 0.15 0.00 -0.03 0.00 0.00 56.01 57.68 1jum n LEU 95 Cb 0.31 -0.72 0.26 0.00 -2.33 0.00 0.00 43.42 40.93 1jum n LEU 95 CO 0.07 -1.74 0.47 1.67 -1.33 0.00 0.00 177.39 176.52 1jum n GLN 96 N -5.24 -0.02 0.03 3.23 -0.06 -1.10 0.91 117.38 115.14 1jum n GLN 96 Ca 0.32 0.52 -0.20 0.00 -2.00 0.00 0.00 57.00 55.64 1jum n GLN 96 Cb 1.09 -0.99 -0.10 0.00 -4.06 0.00 0.00 30.24 26.18 1jum n GLN 96 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1jum h ASN 97 N 0.00 0.92 0.31 1.69 2.35 -1.66 -2.48 115.58 116.71 1jum h ASN 97 Ca 0.35 -0.72 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 1jum h ASN 97 Cb 1.07 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1jum h ASN 97 CO -0.22 1.52 -0.36 0.00 -1.65 0.00 0.00 177.43 176.72 1jum h ALA 98 N 0.42 1.32 0.05 -0.83 0.00 0.32 -1.72 119.26 118.82 1jum h ALA 98 Ca -0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jum h ALA 98 Cb 1.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1jum h ALA 98 CO 0.20 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.74 1jum h ILE 99 N 0.08 1.28 -0.92 0.00 5.03 -1.40 -0.97 117.51 120.61 1jum h ILE 99 Ca 0.01 -1.18 0.14 0.00 -0.12 0.00 0.00 64.86 63.70 1jum h ILE 99 Cb 0.68 2.04 -0.09 0.00 -3.03 0.00 0.00 36.82 36.42 1jum h ILE 99 CO 0.05 0.29 0.53 0.40 -0.68 0.00 0.00 178.15 178.74 1jum h ILE 100 N -0.60 0.82 -0.04 -0.67 2.04 -1.37 0.92 117.51 118.60 1jum h ILE 100 Ca -0.01 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1jum h ILE 100 Cb 0.53 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1jum h ILE 100 CO 0.01 0.14 -0.39 -0.08 0.00 0.00 0.00 178.15 177.84 1jum h GLU 101 N 0.79 0.08 0.00 2.37 4.81 -1.25 -2.11 114.58 119.28 1jum h GLU 101 Ca 0.48 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.59 1jum h GLU 101 Cb 0.59 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1jum h GLU 101 CO -0.31 0.46 -0.46 0.35 -0.73 0.00 0.00 179.01 178.32 1jum h PHE 102 N 0.07 0.00 -0.89 0.92 3.04 0.85 -3.37 116.94 117.56 1jum h PHE 102 Ca 0.01 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 1jum h PHE 102 Cb 0.73 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.16 1jum h PHE 102 CO 0.00 1.08 0.53 -0.92 -2.02 0.00 0.00 178.31 176.98 1jum h TYR 103 N -1.00 0.96 -0.22 0.41 3.20 0.64 -0.91 116.97 120.05 1jum h TYR 103 Ca -0.12 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.62 1jum h TYR 103 Cb 1.03 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 1jum h TYR 103 CO 0.18 0.38 0.12 0.25 -1.64 0.00 0.00 178.16 177.45 1jum n THR 104 N -4.70 2.44 0.20 1.81 -2.24 -0.79 -2.64 114.28 108.37 1jum n THR 104 Ca 0.16 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1jum n THR 104 Cb 0.31 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1jum n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jum n GLU 105 N 1.20 0.00 -0.82 -0.78 2.13 -0.80 -4.84 120.64 116.73 1jum n GLU 105 Ca 0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.86 1jum n GLU 105 Cb 0.57 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.32 1jum n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jum n TYR 106 N -3.43 1.25 -0.06 4.31 4.01 -0.41 -3.78 117.16 119.05 1jum n TYR 106 Ca 0.00 -1.78 -0.21 0.00 -0.16 0.00 0.00 57.90 55.75 1jum n TYR 106 Cb 0.00 -0.87 -0.13 0.00 -0.31 0.00 0.00 39.34 38.03 1jum n TYR 106 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1jum n TYR 107 N 0.56 0.75 1.75 -0.72 9.36 -1.08 -4.19 117.16 123.59 1jum n TYR 107 Ca 0.24 0.18 0.08 0.00 3.32 0.00 0.00 57.90 61.73 1jum n TYR 107 Cb 0.56 -1.09 0.49 0.00 -0.63 0.00 0.00 39.34 38.67 1jum n TYR 107 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1jum n LYS 108 N -3.57 0.88 -3.48 2.98 4.01 -1.25 -4.56 118.16 113.17 1jum n LYS 108 Ca -0.38 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 56.99 1jum n LYS 108 Cb 0.98 -1.30 -0.05 0.00 -0.51 0.00 0.00 35.03 34.15 1jum n LYS 108 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1jum s THR 109 N -2.00 4.84 0.58 -0.18 2.01 -1.26 -4.89 115.64 114.73 1jum s THR 109 Ca 0.25 -2.53 0.37 0.00 0.31 0.00 0.00 61.69 60.09 1jum s THR 109 Cb 0.11 -4.05 0.54 0.00 0.01 0.00 0.00 72.50 69.12 1jum s THR 109 CO 0.19 -0.95 1.58 -0.55 -0.69 0.00 0.00 174.62 174.20 1jum h ASN 110 N 7.64 0.00 0.34 3.53 -1.07 -1.92 0.31 115.58 124.41 1jum h ASN 110 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.39 1jum h ASN 110 Cb 1.02 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.24 1jum h ASN 110 CO 0.76 0.00 -0.34 -1.28 0.07 0.00 0.00 177.43 176.64 1jum h SER 111 N 0.00 -0.93 0.13 6.14 0.87 -1.95 -1.85 113.55 115.97 1jum h SER 111 Ca 0.62 0.08 -0.21 0.00 -1.23 0.00 0.00 61.79 61.05 1jum h SER 111 Cb 2.85 0.31 0.02 0.00 -0.44 0.00 0.00 62.40 65.15 1jum h SER 111 CO -0.01 -0.48 -0.90 0.40 -0.53 0.00 0.00 176.83 175.31 1jum h ILE 112 N -0.71 1.45 -0.05 2.23 1.08 -0.87 -3.30 117.51 117.35 1jum h ILE 112 Ca -0.02 -2.48 0.02 0.00 -0.39 0.00 0.00 64.86 61.98 1jum h ILE 112 Cb 0.64 3.06 -0.00 0.00 -3.07 0.00 0.00 36.82 37.45 1jum h ILE 112 CO -0.06 0.72 0.49 -1.13 -0.69 0.00 0.00 178.15 177.47 1jum h ASN 113 N -0.22 0.00 0.02 1.72 -1.24 -0.65 0.29 115.58 115.50 1jum h ASN 113 Ca -0.15 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 1jum h ASN 113 Cb 1.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.73 1jum h ASN 113 CO 0.17 0.00 -0.01 -0.08 -1.29 0.00 0.00 177.43 176.22 1jum h GLU 114 N 0.00 -0.02 -0.58 6.67 4.81 -1.40 -2.70 114.58 121.35 1jum h GLU 114 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1jum h GLU 114 Cb 1.01 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1jum h GLU 114 CO -0.00 0.69 0.30 0.87 -0.73 0.00 0.00 179.01 180.13 1jum h LYS 115 N -0.95 0.81 -0.78 1.92 1.57 -1.13 -1.95 116.57 116.06 1jum h LYS 115 Ca -0.00 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1jum h LYS 115 Cb 0.72 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1jum h LYS 115 CO 0.00 0.62 0.48 0.52 -0.57 0.00 0.00 179.45 180.50 1jum h MET 116 N 0.82 0.86 -0.04 3.15 2.86 -0.60 -2.83 114.93 119.14 1jum h MET 116 Ca 0.21 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1jum h MET 116 Cb 0.06 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1jum h MET 116 CO -0.03 0.57 -0.09 -0.91 1.06 0.00 0.00 176.91 177.51 1jum h ASN 117 N 0.89 0.16 -0.83 1.22 4.21 -1.05 -1.65 115.58 118.53 1jum h ASN 117 Ca 0.34 -0.57 0.24 0.00 1.21 0.00 0.00 56.30 57.51 1jum h ASN 117 Cb 0.13 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.25 1jum h ASN 117 CO -0.16 0.70 0.92 0.11 -1.29 0.00 0.00 177.43 177.71 1jum h LYS 118 N -0.38 0.00 0.11 0.81 1.57 -1.15 0.92 116.57 118.45 1jum h LYS 118 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1jum h LYS 118 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1jum h LYS 118 CO 0.02 0.00 -1.75 1.25 -0.57 0.00 0.00 179.45 178.40 1jum h LEU 119 N 0.00 0.38 -2.68 2.94 5.85 -1.31 -3.33 115.31 117.16 1jum h LEU 119 Ca 0.39 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1jum h LEU 119 Cb 2.22 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.13 1jum h LEU 119 CO -0.00 1.75 0.08 -0.08 -0.34 0.00 0.00 178.44 179.86 1jum h GLU 120 N -0.15 0.00 0.12 1.25 4.57 0.18 -0.21 114.58 120.33 1jum h GLU 120 Ca -0.38 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.52 1jum h GLU 120 Cb 1.88 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.49 1jum h GLU 120 CO 0.05 0.00 -1.22 -0.91 -1.18 0.00 0.00 179.01 175.75 1jum h ASN 121 N 0.00 0.56 -0.81 1.04 -0.26 -1.21 -2.48 115.58 112.42 1jum h ASN 121 Ca 0.00 -0.56 0.02 0.00 -0.56 0.00 0.00 56.30 55.21 1jum h ASN 121 Cb 0.17 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.21 1jum h ASN 121 CO 0.00 1.41 0.54 0.11 -1.06 0.00 0.00 177.43 178.43 1jum h LYS 122 N 0.14 1.01 0.00 0.81 1.57 -1.16 0.12 116.57 119.06 1jum h LYS 122 Ca -0.15 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1jum h LYS 122 Cb 1.92 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1jum h LYS 122 CO 0.21 0.67 -0.19 -0.92 -0.57 0.00 0.00 179.45 178.65 1jum h TYR 123 N 1.04 0.00 0.00 -1.35 3.20 -1.50 -3.16 116.97 115.20 1jum h TYR 123 Ca 0.31 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.98 1jum h TYR 123 Cb -0.03 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1jum h TYR 123 CO -0.00 0.19 -1.05 0.82 -1.64 0.00 0.00 178.16 176.48 1jum h ILE 124 N 0.00 1.45 -0.01 1.81 2.04 -0.40 -3.30 117.51 119.10 1jum h ILE 124 Ca -0.00 -3.13 -0.05 0.00 1.00 0.00 0.00 64.86 62.68 1jum h ILE 124 Cb 0.83 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 1jum h ILE 124 CO 0.02 0.83 -0.21 0.44 0.00 0.00 0.00 178.15 179.23 1jum h ASP 125 N 0.00 0.02 -0.80 1.72 3.45 -0.88 -2.55 116.42 117.37 1jum h ASP 125 Ca -0.05 -0.00 0.16 0.00 0.43 0.00 0.00 57.03 57.56 1jum h ASP 125 Cb 1.75 -0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 40.36 1jum h ASP 125 CO 0.11 0.23 -0.20 0.00 -1.57 0.00 0.00 179.24 177.81 1jum h ALA 126 N 1.77 0.52 -0.07 3.45 0.00 -1.66 0.20 119.26 123.47 1jum h ALA 126 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1jum h ALA 126 Cb 0.39 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jum h ALA 126 CO 0.03 -0.41 -0.12 1.88 0.00 0.00 0.00 179.25 180.63 1jum h TYR 127 N -0.00 0.25 -0.96 0.00 0.05 -1.70 -2.87 116.97 111.75 1jum h TYR 127 Ca 0.38 -0.09 0.26 0.00 0.05 0.00 0.00 58.73 59.33 1jum h TYR 127 Cb 0.58 -0.05 -0.18 0.00 1.01 0.00 0.00 36.73 38.10 1jum h TYR 127 CO -0.63 0.70 0.01 1.58 -1.05 0.00 0.00 178.16 178.77 1jum n HIS 128 N -4.64 0.59 -0.05 4.88 -0.00 0.49 -0.79 115.22 115.71 1jum n HIS 128 Ca -0.08 1.15 -0.13 0.00 0.46 0.00 0.00 57.72 59.13 1jum n HIS 128 Cb 0.35 -1.21 -0.08 0.00 -0.12 0.00 0.00 29.99 28.94 1jum n HIS 128 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1jum h VAL 129 N 0.00 1.36 -0.70 3.57 2.07 -0.88 -2.27 116.25 119.41 1jum h VAL 129 Ca 0.57 -1.32 0.13 0.00 0.82 0.00 0.00 66.70 66.90 1jum h VAL 129 Cb 1.17 1.98 -0.09 0.00 -1.52 0.00 0.00 31.29 32.83 1jum h VAL 129 CO -0.90 0.38 0.25 0.40 0.02 0.00 0.00 177.57 177.72 1jum h ILE 130 N -0.12 0.68 -0.31 4.57 1.08 -0.74 -1.25 117.51 121.42 1jum h ILE 130 Ca 0.02 -0.14 -0.14 0.00 -0.39 0.00 0.00 64.86 64.20 1jum h ILE 130 Cb 0.67 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1jum h ILE 130 CO 0.03 0.07 -0.39 -0.26 -0.69 0.00 0.00 178.15 176.91 1jum h PHE 131 N 0.41 0.87 0.80 1.37 0.04 -1.22 -1.54 116.94 117.66 1jum h PHE 131 Ca 0.37 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 1jum h PHE 131 Cb 0.54 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.51 1jum h PHE 131 CO -0.18 1.01 -0.38 -0.22 -0.60 0.00 0.00 178.31 177.93 1jum h LYS 132 N 0.60 -1.03 -0.47 1.51 3.64 -0.73 -2.00 116.57 118.09 1jum h LYS 132 Ca 0.05 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1jum h LYS 132 Cb 0.94 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.90 1jum h LYS 132 CO 0.09 -0.69 -0.10 0.93 -2.27 0.00 0.00 179.45 177.40 1jum h GLU 133 N -1.13 0.01 -0.34 1.90 4.39 -1.32 0.48 114.58 118.56 1jum h GLU 133 Ca -0.11 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.69 1jum h GLU 133 Cb 0.82 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1jum h GLU 133 CO 0.18 0.01 0.32 0.78 -1.16 0.00 0.00 179.01 179.14 1jum h GLY 134 N 0.01 0.00 0.37 -3.84 0.00 -1.28 0.17 103.07 98.50 1jum h GLY 134 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1jum h GLY 134 CO -0.48 0.00 -0.09 3.43 0.00 0.00 0.00 176.54 179.40 1jum h ASN 135 N 0.00 -0.21 -0.86 0.19 -0.26 0.72 0.81 115.58 115.96 1jum h ASN 135 Ca 0.16 -0.30 0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1jum h ASN 135 Cb 0.80 0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 38.06 1jum h ASN 135 CO -0.00 0.32 0.56 -0.07 -1.06 0.00 0.00 177.43 177.18 1jum h LEU 136 N -0.89 0.82 -3.13 1.61 4.07 -0.47 0.45 115.31 117.77 1jum h LEU 136 Ca -0.03 0.01 -0.27 0.00 0.08 0.00 0.00 57.88 57.68 1jum h LEU 136 Cb 0.51 -0.16 -0.16 0.00 1.08 0.00 0.00 40.66 41.92 1jum h LEU 136 CO 0.04 0.52 0.34 0.59 -1.08 0.00 0.00 178.44 178.85 1jum n ASN 137 N -4.50 3.55 -3.51 -0.43 3.02 0.46 -4.91 115.26 108.95 1jum n ASN 137 Ca 0.13 -2.93 -0.15 0.00 -0.03 0.00 0.00 54.58 51.61 1jum n ASN 137 Cb 0.24 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 1jum n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jum n GLY 138 N -0.37 -0.17 0.14 7.41 0.00 0.16 -4.73 105.19 107.62 1jum n GLY 138 Ca 0.34 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.53 1jum n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jum h GLU 139 N 0.40 0.00 -2.83 1.61 5.08 0.43 -3.47 114.58 115.80 1jum h GLU 139 Ca -0.26 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1jum h GLU 139 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1jum h GLU 139 CO 0.24 0.13 0.32 1.67 -1.00 0.00 0.00 179.01 180.37 1jum s TRP 140 N -3.18 -0.08 -0.48 4.33 -2.14 -1.19 -5.05 118.94 111.16 1jum s TRP 140 Ca 0.01 -0.40 0.08 0.00 2.66 0.00 0.00 56.10 58.45 1jum s TRP 140 Cb 0.08 0.73 0.27 0.00 -3.10 0.00 0.00 33.47 31.45 1jum s TRP 140 CO 0.76 -1.22 0.66 0.45 -2.66 0.00 0.00 176.95 174.94 1jum n SER 141 N -0.77 1.76 -4.85 -2.66 2.88 -1.26 -4.28 113.62 104.44 1jum n SER 141 Ca -0.05 -3.05 -0.32 0.00 -1.33 0.00 0.00 58.87 54.11 1jum n SER 141 Cb 0.60 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.39 1jum n SER 141 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1jum s ILE 142 N -2.03 4.58 -0.42 2.46 1.01 -1.26 -5.04 121.20 120.50 1jum s ILE 142 Ca 0.38 1.12 0.09 0.00 0.00 0.00 0.00 60.65 62.24 1jum s ILE 142 Cb 0.20 -3.75 0.34 0.00 0.01 0.00 0.00 42.46 39.26 1jum s ILE 142 CO -0.08 -0.76 0.99 -0.46 0.00 0.00 0.00 174.94 174.63 1jum n ASN 143 N -1.77 -1.09 0.00 3.58 6.94 -1.26 -4.81 115.26 116.85 1jum n ASN 143 Ca 0.06 -3.38 0.00 0.00 -0.02 0.00 0.00 54.58 51.24 1jum n ASN 143 Cb 0.54 0.92 0.00 0.00 -2.36 0.00 0.00 39.78 38.88 1jum n ASN 143 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1jum n ASP 144 N 0.28 0.00 -0.44 0.53 5.75 -1.26 -5.03 116.55 116.38 1jum n ASP 144 Ca 0.13 0.00 0.39 0.00 -0.01 0.00 0.00 54.79 55.29 1jum n ASP 144 Cb 0.70 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.38 1jum n ASP 144 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1jum n VAL 145 N 0.00 0.00 0.07 2.12 0.31 -1.26 0.92 118.33 120.49 1jum n VAL 145 Ca 0.00 1.30 -0.17 0.00 -0.01 0.00 0.00 64.34 65.46 1jum n VAL 145 Cb 0.00 -2.25 -0.08 0.00 -0.91 0.00 0.00 33.84 30.60 1jum n VAL 145 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1jum h ASN 146 N 0.00 0.69 0.07 4.52 -1.07 -1.96 -0.95 115.58 116.87 1jum h ASN 146 Ca 0.68 -0.58 -0.00 0.00 0.07 0.00 0.00 56.30 56.46 1jum h ASN 146 Cb 3.19 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 39.23 1jum h ASN 146 CO -0.01 1.39 -0.03 0.00 0.07 0.00 0.00 177.43 178.85 1jum h ALA 147 N 0.56 -0.09 -0.81 4.14 0.00 0.11 -1.72 119.26 121.44 1jum h ALA 147 Ca -0.12 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.58 1jum h ALA 147 Cb 1.71 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 1jum h ALA 147 CO 0.19 -0.21 0.53 0.28 0.00 0.00 0.00 179.25 180.04 1jum h VAL 148 N -0.78 1.01 -0.52 0.00 2.07 -1.50 -0.87 116.25 115.66 1jum h VAL 148 Ca -0.01 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 1jum h VAL 148 Cb 0.61 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1jum h VAL 148 CO 0.02 0.15 -0.13 0.28 0.02 0.00 0.00 177.57 177.91 1jum h SER 149 N 0.84 1.01 -0.09 0.57 0.02 -1.13 -0.19 113.55 114.58 1jum h SER 149 Ca 0.36 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 1jum h SER 149 Cb 0.31 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1jum h SER 149 CO -0.13 1.13 -0.47 0.11 -1.14 0.00 0.00 176.83 176.32 1jum h LYS 150 N 0.89 0.64 0.51 3.45 1.57 -0.42 -1.57 116.57 121.64 1jum h LYS 150 Ca 0.13 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1jum h LYS 150 Cb 0.69 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1jum h LYS 150 CO 0.05 0.98 -0.28 0.82 -0.57 0.00 0.00 179.45 180.45 1jum h ILE 151 N 0.51 0.43 -0.18 1.86 1.08 -1.00 -1.56 117.51 118.66 1jum h ILE 151 Ca 0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 1jum h ILE 151 Cb 1.01 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1jum h ILE 151 CO 0.09 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.50 1jum h ALA 152 N -0.26 0.10 -0.88 1.87 0.00 -0.99 -0.11 119.26 118.99 1jum h ALA 152 Ca -0.06 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jum h ALA 152 Cb 0.58 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1jum h ALA 152 CO 0.09 -0.49 0.54 0.00 0.00 0.00 0.00 179.25 179.39 1jum h ALA 153 N 1.15 1.24 0.00 0.00 0.00 -1.14 -1.39 119.26 119.13 1jum h ALA 153 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1jum h ALA 153 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jum h ALA 153 CO -0.19 0.26 -0.59 -0.91 0.00 0.00 0.00 179.25 177.81 1jum h ASN 154 N 0.96 0.00 0.29 0.00 2.35 -1.01 -2.31 115.58 115.86 1jum h ASN 154 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.13 1jum h ASN 154 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1jum h ASN 154 CO -0.20 0.53 -0.14 0.00 -1.65 0.00 0.00 177.43 175.97 1jum h ALA 155 N 1.47 -0.64 -0.93 -0.83 0.00 -0.47 -2.80 119.26 115.05 1jum h ALA 155 Ca -0.02 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.04 1jum h ALA 155 Cb 1.42 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 19.18 1jum h ALA 155 CO 0.07 -0.61 -0.05 0.28 0.00 0.00 0.00 179.25 178.93 1jum h VAL 156 N -0.63 0.09 -0.74 0.00 2.07 -1.40 0.06 116.25 115.71 1jum h VAL 156 Ca -0.04 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1jum h VAL 156 Cb 0.30 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1jum h VAL 156 CO 0.06 0.00 0.49 -1.13 0.02 0.00 0.00 177.57 177.02 1jum h ASN 157 N 0.03 0.59 1.32 0.57 -1.24 -1.40 -0.27 115.58 115.18 1jum h ASN 157 Ca 0.52 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.44 1jum h ASN 157 Cb 0.98 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.91 1jum h ASN 157 CO -0.89 0.35 -0.70 1.23 -1.29 0.00 0.00 177.43 176.13 1jum h GLY 158 N 0.65 0.00 0.94 1.57 0.00 -0.72 -1.63 103.07 103.87 1jum h GLY 158 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 1jum h GLY 158 CO -0.12 0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.08 1jum h ILE 159 N 0.00 1.28 -0.34 2.60 1.08 -0.71 0.12 117.51 121.53 1jum h ILE 159 Ca -0.04 -1.20 -0.03 0.00 -0.39 0.00 0.00 64.86 63.20 1jum h ILE 159 Cb 1.40 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1jum h ILE 159 CO 0.06 0.39 0.12 0.58 -0.69 0.00 0.00 178.15 178.60 1jum h VAL 160 N 0.45 1.20 -0.03 1.67 2.07 -1.06 -3.21 116.25 117.35 1jum h VAL 160 Ca 0.08 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1jum h VAL 160 Cb 0.63 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1jum h VAL 160 CO 0.04 0.22 -0.18 0.74 0.02 0.00 0.00 177.57 178.41 1jum h THR 161 N 0.40 1.50 -0.54 2.57 2.02 -1.16 -3.37 112.91 114.34 1jum h THR 161 Ca 0.11 -1.73 -0.19 0.00 0.77 0.00 0.00 66.41 65.37 1jum h THR 161 Cb 0.23 2.55 -0.11 0.00 -1.74 0.00 0.00 68.15 69.08 1jum h THR 161 CO -0.01 0.47 0.24 0.49 0.37 0.00 0.00 175.52 177.09 1jum n PHE 162 N -4.57 1.74 -0.19 3.16 3.01 0.39 -3.96 117.46 117.04 1jum n PHE 162 Ca -0.09 -0.98 0.00 0.00 1.01 0.00 0.00 57.45 57.39 1jum n PHE 162 Cb 0.44 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1jum n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jum n THR 163 N -0.14 0.20 0.01 4.37 -1.04 -1.21 -4.81 114.28 111.66 1jum n THR 163 Ca 0.30 -0.51 0.17 0.00 -2.04 0.00 0.00 64.05 61.97 1jum n THR 163 Cb 1.10 1.04 0.28 0.00 -1.82 0.00 0.00 70.33 70.93 1jum n THR 163 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1jum h HIS 164 N 0.00 0.00 0.00 -1.42 3.86 -1.78 0.76 115.15 116.57 1jum h HIS 164 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1jum h HIS 164 Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1jum h HIS 164 CO 0.00 0.00 -0.32 1.05 0.86 0.00 0.00 177.93 179.52 1jum h GLU 165 N 0.00 0.00 -7.19 2.45 9.09 -1.93 -3.46 114.58 113.54 1jum h GLU 165 Ca 0.29 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 59.23 1jum h GLU 165 Cb 2.51 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 29.63 1jum h GLU 165 CO -0.00 0.32 0.37 -0.65 0.05 0.00 0.00 179.01 179.09 1jum s GLN 166 N -3.32 3.92 0.21 1.06 1.11 0.26 -5.03 119.66 117.87 1jum s GLN 166 Ca 0.03 0.92 -0.30 0.00 0.01 0.00 0.00 55.36 56.02 1jum s GLN 166 Cb 0.09 -2.14 -0.08 0.00 -1.01 0.00 0.00 33.01 29.86 1jum s GLN 166 CO 0.69 -0.28 1.06 0.54 0.01 0.00 0.00 175.29 177.30 1jum s ASN 167 N -3.16 7.36 0.47 5.90 4.22 -1.26 -4.78 114.94 123.69 1jum s ASN 167 Ca 0.58 2.09 0.35 0.00 -2.14 0.00 0.00 52.86 53.74 1jum s ASN 167 Cb -0.10 -2.61 1.50 0.00 1.28 0.00 0.00 41.25 41.32 1jum s ASN 167 CO 0.33 -0.12 1.62 -0.29 -2.04 0.00 0.00 177.10 176.61 1jum h ILE 168 N 3.46 0.11 0.00 0.54 2.10 -1.95 1.07 117.51 122.83 1jum h ILE 168 Ca -0.45 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1jum h ILE 168 Cb 1.21 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1jum h ILE 168 CO 0.70 0.01 0.00 -1.13 -1.08 0.00 0.00 178.15 176.65 1jum h ASN 169 N 0.06 0.00 0.07 2.19 -1.24 -1.99 -1.98 115.58 112.69 1jum h ASN 169 Ca 0.83 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.59 1jum h ASN 169 Cb 2.82 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.85 1jum h ASN 169 CO -0.31 0.00 -1.31 -0.08 -1.29 0.00 0.00 177.43 174.43 1jum h GLU 170 N 0.00 0.16 -0.20 6.67 4.57 0.83 -3.21 114.58 123.40 1jum h GLU 170 Ca 0.00 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1jum h GLU 170 Cb 0.44 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1jum h GLU 170 CO 0.00 1.13 0.02 0.00 -1.18 0.00 0.00 179.01 178.98 1jum h ARG 171 N -0.52 0.09 0.00 1.92 3.08 -1.34 0.17 114.38 117.78 1jum h ARG 171 Ca -0.30 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1jum h ARG 171 Cb 1.60 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1jum h ARG 171 CO -0.02 0.06 0.00 0.82 -1.07 0.00 0.00 179.97 179.76 1jum h ILE 172 N 0.09 0.00 0.18 2.04 2.04 -1.51 -0.34 117.51 120.01 1jum h ILE 172 Ca 0.09 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.60 1jum h ILE 172 Cb 0.10 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1jum h ILE 172 CO -0.14 0.00 -1.75 0.50 0.00 0.00 0.00 178.15 176.77 1jum h LYS 173 N 0.00 0.39 -0.19 2.37 3.11 -0.74 -3.12 116.57 118.38 1jum h LYS 173 Ca 0.00 -0.66 -0.03 0.00 -2.81 0.00 0.00 60.65 57.14 1jum h LYS 173 Cb 0.00 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1jum h LYS 173 CO 0.00 1.32 -0.01 -0.07 -2.81 0.00 0.00 179.45 177.87 1jum h LEU 174 N 0.09 0.35 -0.77 5.20 3.38 -0.01 -2.71 115.31 120.83 1jum h LEU 174 Ca -0.35 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.38 1jum h LEU 174 Cb 2.08 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.67 1jum h LEU 174 CO 0.17 0.59 0.43 -0.03 0.09 0.00 0.00 178.44 179.69 1jum h MET 175 N 0.10 0.71 -0.14 1.13 4.05 -1.24 -0.50 114.93 119.04 1jum h MET 175 Ca 0.05 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1jum h MET 175 Cb 0.42 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1jum h MET 175 CO 0.01 0.47 -0.33 -0.91 0.23 0.00 0.00 176.91 176.38 1jum h ASN 176 N 0.74 0.28 0.15 1.39 2.35 -1.47 -2.21 115.58 116.80 1jum h ASN 176 Ca 0.37 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1jum h ASN 176 Cb 0.33 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1jum h ASN 176 CO -0.24 0.60 -0.07 0.50 -1.65 0.00 0.00 177.43 176.57 1jum h LYS 177 N 0.24 -0.20 -0.72 0.81 1.63 -0.82 -2.59 116.57 114.92 1jum h LYS 177 Ca 0.03 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1jum h LYS 177 Cb 0.71 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.29 1jum h LYS 177 CO 0.05 -0.00 0.27 0.35 -3.45 0.00 0.00 179.45 176.67 1jum h PHE 178 N -0.36 0.45 -0.70 1.91 3.57 -1.04 0.33 116.94 121.10 1jum h PHE 178 Ca -0.02 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1jum h PHE 178 Cb 0.29 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1jum h PHE 178 CO -0.02 0.05 0.46 0.77 -2.23 0.00 0.00 178.31 177.34 1jum h SER 179 N 0.41 0.50 -0.03 0.41 0.02 -1.12 0.09 113.55 113.83 1jum h SER 179 Ca 0.39 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1jum h SER 179 Cb 0.59 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1jum h SER 179 CO -0.40 0.30 -0.16 -0.61 -1.14 0.00 0.00 176.83 174.81 1jum h GLN 180 N 0.56 0.17 -0.67 3.45 4.15 -0.05 -1.28 115.11 121.43 1jum h GLN 180 Ca 0.32 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1jum h GLN 180 Cb 0.52 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1jum h GLN 180 CO -0.11 0.80 0.35 0.82 -1.93 0.00 0.00 178.83 178.76 1jum h ILE 181 N -0.42 1.22 0.20 2.39 1.08 -0.71 0.47 117.51 121.73 1jum h ILE 181 Ca -0.01 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1jum h ILE 181 Cb 0.83 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1jum h ILE 181 CO 0.03 0.24 -0.09 0.15 -0.69 0.00 0.00 178.15 177.79 1jum h PHE 182 N 0.93 -0.24 -0.96 1.37 3.04 -1.07 -1.07 116.94 118.94 1jum h PHE 182 Ca 0.23 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.20 1jum h PHE 182 Cb 0.07 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 1jum h PHE 182 CO -0.00 0.15 0.63 1.25 -2.02 0.00 0.00 178.31 178.32 1jum h LEU 183 N -0.74 1.07 0.24 0.59 5.85 -1.18 -2.33 115.31 118.81 1jum h LEU 183 Ca -0.03 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1jum h LEU 183 Cb 0.50 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1jum h LEU 183 CO 0.04 0.76 -0.21 -1.13 -0.34 0.00 0.00 178.44 177.56 1jum h ASN 184 N 1.26 -0.54 0.00 1.25 -0.00 -0.02 -2.51 115.58 115.01 1jum h ASN 184 Ca 0.37 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 1jum h ASN 184 Cb -0.08 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.42 1jum h ASN 184 CO -0.10 -0.31 0.00 0.61 -0.00 0.00 0.00 177.43 177.63 1jum n GLY 185 N -1.33 -0.23 0.02 1.57 0.00 -0.41 -2.44 105.19 102.37 1jum n GLY 185 Ca -0.09 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1jum n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jum n LEU 186 N -0.84 0.67 -0.87 0.99 4.77 -0.95 -5.08 117.00 115.70 1jum n LEU 186 Ca 0.04 -0.15 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1jum n LEU 186 Cb 0.02 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1jum n LEU 186 CO 0.03 0.12 0.59 -1.54 -1.33 0.00 0.00 177.39 175.26