#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jum n LEU 3 N 0.00 0.00 -0.01 1.20 -0.00 -1.26 -4.67 117.00 112.26 1jum n LEU 3 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1jum n LEU 3 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1jum n LEU 3 CO 0.00 0.00 0.45 0.50 -0.00 0.00 0.00 177.39 178.34 1jum h LYS 4 N 0.00 0.60 0.00 1.96 3.64 -2.00 -2.80 116.57 117.97 1jum h LYS 4 Ca 0.00 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1jum h LYS 4 Cb 0.00 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1jum h LYS 4 CO 0.00 1.01 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.49 1jum h ASP 5 N 0.46 0.00 0.74 4.20 5.19 -1.99 -2.68 116.42 122.33 1jum h ASP 5 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 1jum h ASP 5 Cb 1.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1jum h ASP 5 CO 0.11 0.26 -0.96 0.50 -3.12 0.00 0.00 179.24 176.02 1jum h LYS 6 N 0.00 0.13 -0.18 3.56 3.64 -1.81 -2.12 116.57 119.78 1jum h LYS 6 Ca -0.00 -0.17 -0.20 0.00 -1.27 0.00 0.00 60.65 59.01 1jum h LYS 6 Cb 1.10 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1jum h LYS 6 CO 0.03 0.99 -0.68 0.82 -2.27 0.00 0.00 179.45 178.34 1jum h ILE 7 N 0.06 1.29 -0.45 2.00 2.04 -1.44 -1.92 117.51 119.08 1jum h ILE 7 Ca -0.04 -1.88 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 1jum h ILE 7 Cb 1.64 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.63 1jum h ILE 7 CO 0.14 0.60 0.14 -0.07 0.00 0.00 0.00 178.15 178.96 1jum h LEU 8 N 0.51 0.60 0.76 1.44 3.38 -1.48 -1.93 115.31 118.58 1jum h LEU 8 Ca -0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1jum h LEU 8 Cb 1.31 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1jum h LEU 8 CO 0.14 0.58 -0.36 1.23 0.09 0.00 0.00 178.44 180.12 1jum h GLY 9 N 0.83 -1.06 0.41 0.83 0.00 -1.07 -0.99 103.07 102.01 1jum h GLY 9 Ca 0.15 0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.94 1jum h GLY 9 CO -0.01 -0.39 -0.05 -2.08 0.00 0.00 0.00 176.54 174.01 1jum h VAL 10 N -1.19 0.71 -0.07 4.60 2.07 -1.36 -1.65 116.25 119.36 1jum h VAL 10 Ca -0.10 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1jum h VAL 10 Cb 0.78 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1jum h VAL 10 CO 0.17 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.67 1jum h ALA 11 N 1.30 -0.39 -0.71 1.67 0.00 -1.29 0.47 119.26 120.32 1jum h ALA 11 Ca 0.15 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.19 1jum h ALA 11 Cb 0.23 0.77 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1jum h ALA 11 CO -0.30 -0.43 -0.27 -0.22 0.00 0.00 0.00 179.25 178.02 1jum h LYS 12 N -0.07 -0.07 -0.90 0.00 3.64 -1.00 0.20 116.57 118.37 1jum h LYS 12 Ca 0.01 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1jum h LYS 12 Cb 0.10 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1jum h LYS 12 CO -0.10 -0.05 0.51 0.93 -2.27 0.00 0.00 179.45 178.48 1jum h GLU 13 N -0.07 0.74 0.15 1.90 4.39 -0.20 -2.31 114.58 119.18 1jum h GLU 13 Ca 0.30 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1jum h GLU 13 Cb 0.56 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1jum h GLU 13 CO -0.76 0.49 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.44 1jum h LEU 14 N 0.76 -0.17 -1.14 1.33 3.38 0.27 -2.92 115.31 116.83 1jum h LEU 14 Ca 0.47 -0.35 0.39 0.00 0.09 0.00 0.00 57.88 58.49 1jum h LEU 14 Cb 0.59 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.23 1jum h LEU 14 CO -0.32 0.41 0.66 -0.26 0.09 0.00 0.00 178.44 179.02 1jum h PHE 15 N -0.91 0.76 0.04 1.13 0.05 -0.59 0.19 116.94 117.61 1jum h PHE 15 Ca -0.02 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 1jum h PHE 15 Cb 0.51 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 38.27 1jum h PHE 15 CO 0.09 -0.28 -0.02 0.82 -0.18 0.00 0.00 178.31 178.73 1jum h ILE 16 N 0.14 1.32 -0.29 -0.55 2.04 -1.49 -0.41 117.51 118.27 1jum h ILE 16 Ca 0.80 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1jum h ILE 16 Cb 2.17 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 40.40 1jum h ILE 16 CO -0.59 0.32 0.01 0.29 0.00 0.00 0.00 178.15 178.18 1jum n LYS 17 N -4.84 2.85 0.00 2.37 4.76 -0.14 -4.34 118.16 118.82 1jum n LYS 17 Ca -0.09 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.83 1jum n LYS 17 Cb 0.29 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1jum n LYS 17 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jum n ASN 18 N 0.28 0.00 0.00 4.39 3.02 0.48 -5.01 115.26 118.43 1jum n ASN 18 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1jum n ASN 18 Cb 0.73 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.02 0.05 0.02 7.41 0.00 -0.17 -4.44 105.19 108.04 1jum n GLY 19 Ca 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 1jum n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jum h TYR 20 N 0.00 0.00 0.00 1.61 3.20 -1.83 -3.21 116.97 116.74 1jum h TYR 20 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jum h TYR 20 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jum h TYR 20 CO 0.00 0.00 0.18 0.09 -1.64 0.00 0.00 178.16 176.79 1jum n ASN 21 N -2.86 0.00 -0.36 -2.11 3.02 -1.26 -1.44 115.26 110.25 1jum n ASN 21 Ca -0.01 0.25 0.06 0.00 -0.03 0.00 0.00 54.58 54.85 1jum n ASN 21 Cb 0.03 -0.25 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1jum n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jum n ALA 22 N -1.22 2.69 -3.22 5.41 0.00 -1.25 -4.84 120.51 118.08 1jum n ALA 22 Ca 0.00 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 1jum n ALA 22 Cb 0.18 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1jum n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jum s THR 23 N -1.23 4.98 0.59 0.00 2.01 -0.52 -4.95 115.64 116.52 1jum s THR 23 Ca 0.12 -1.41 -0.16 0.00 0.31 0.00 0.00 61.69 60.54 1jum s THR 23 Cb 0.09 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1jum s THR 23 CO 0.22 -0.74 1.07 0.28 -0.69 0.00 0.00 174.62 174.75 1jum s THR 24 N 1.56 3.67 0.12 -0.82 -1.32 -1.26 -4.95 115.64 112.64 1jum s THR 24 Ca 0.04 0.82 -0.17 0.00 -1.21 0.00 0.00 61.69 61.17 1jum s THR 24 Cb -0.27 -3.33 -0.03 0.00 -1.51 0.00 0.00 72.50 67.35 1jum s THR 24 CO 0.03 -0.44 1.63 0.74 -2.21 0.00 0.00 174.62 174.38 1jum h THR 25 N 0.50 1.21 0.00 5.08 2.02 -1.99 -2.04 112.91 117.69 1jum h THR 25 Ca -0.47 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1jum h THR 25 Cb 1.23 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1jum h THR 25 CO 0.57 0.24 -0.05 1.23 0.37 0.00 0.00 175.52 177.87 1jum h GLY 26 N 0.40 0.00 0.43 2.16 0.00 -1.99 0.24 103.07 104.31 1jum h GLY 26 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1jum h GLY 26 CO -0.00 0.00 -0.08 -2.09 0.00 0.00 0.00 176.54 174.36 1jum h GLU 27 N 0.00 0.09 -0.15 4.80 4.81 -1.85 -1.74 114.58 120.54 1jum h GLU 27 Ca -0.00 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1jum h GLU 27 Cb 0.13 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 1jum h GLU 27 CO 0.01 0.73 -0.28 0.82 -0.73 0.00 0.00 179.01 179.55 1jum h ILE 28 N -0.52 0.34 0.12 2.32 2.04 -0.58 -2.60 117.51 118.63 1jum h ILE 28 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1jum h ILE 28 Cb 0.74 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1jum h ILE 28 CO 0.02 0.00 -0.15 0.58 0.00 0.00 0.00 178.15 178.60 1jum h VAL 29 N -0.34 0.67 0.00 1.67 2.07 -1.02 -2.82 116.25 116.47 1jum h VAL 29 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1jum h VAL 29 Cb 0.50 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1jum h VAL 29 CO -0.34 0.00 0.00 2.29 0.02 0.00 0.00 177.57 179.54 1jum n LYS 30 N -5.27 0.04 0.04 1.57 2.85 -0.66 -2.05 118.16 114.69 1jum n LYS 30 Ca -0.07 0.24 0.09 0.00 -1.05 0.00 0.00 58.31 57.52 1jum n LYS 30 Cb 0.19 -1.57 -0.09 0.00 -0.65 0.00 0.00 35.03 32.91 1jum n LYS 30 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jum n LEU 31 N -1.64 0.47 -1.38 -5.58 7.99 -0.99 -3.55 117.00 112.31 1jum n LEU 31 Ca 0.04 0.19 0.10 0.00 -0.01 0.00 0.00 56.01 56.32 1jum n LEU 31 Cb 0.21 0.01 0.31 0.00 -0.11 0.00 0.00 43.42 43.84 1jum n LEU 31 CO 0.17 -0.04 0.77 -1.54 -1.51 0.00 0.00 177.39 175.24 1jum n SER 32 N -2.54 4.04 -4.17 -1.43 3.41 -0.94 -4.96 113.62 107.03 1jum n SER 32 Ca -0.05 -2.22 -0.33 0.00 -0.26 0.00 0.00 58.87 56.01 1jum n SER 32 Cb 0.62 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.22 -3.05 0.00 4.33 -0.58 -0.87 -4.86 120.64 116.83 1jum n GLU 33 Ca 0.23 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1jum n GLU 33 Cb 0.71 -4.88 0.00 0.00 -0.57 0.00 0.00 31.44 26.70 1jum n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1jum n SER 34 N -2.75 0.00 -4.15 1.62 3.41 -0.87 -5.03 113.62 105.85 1jum n SER 34 Ca -0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.40 1jum n SER 34 Cb 0.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 1jum n SER 34 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jum s SER 35 N 1.00 1.47 0.12 4.04 1.04 -1.26 -4.67 113.70 115.44 1jum s SER 35 Ca 0.00 -0.62 -0.23 0.00 0.48 0.00 0.00 55.95 55.58 1jum s SER 35 Cb 0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 1jum s SER 35 CO 0.00 -0.12 1.67 0.50 0.98 0.00 0.00 173.24 176.27 1jum h LYS 36 N 4.26 -0.22 -0.75 4.02 3.64 -1.95 0.60 116.57 126.17 1jum h LYS 36 Ca -0.39 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.16 1jum h LYS 36 Cb 1.19 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 1jum h LYS 36 CO 0.41 -0.14 0.51 0.78 -2.27 0.00 0.00 179.45 178.74 1jum h GLY 37 N -0.22 0.64 1.83 5.01 0.00 -2.00 -0.40 103.07 107.92 1jum h GLY 37 Ca 0.07 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 1jum h GLY 37 CO -0.18 0.05 -0.63 -0.57 0.00 0.00 0.00 176.54 175.21 1jum h ASN 38 N 0.37 0.20 -0.45 0.19 -1.24 -1.35 -2.32 115.58 110.98 1jum h ASN 38 Ca 0.37 -0.12 -0.11 0.00 0.71 0.00 0.00 56.30 57.15 1jum h ASN 38 Cb 0.91 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 1jum h ASN 38 CO -0.11 0.78 -0.15 0.25 -1.29 0.00 0.00 177.43 176.91 1jum h LEU 39 N 0.13 0.91 -1.13 0.34 6.46 0.32 -2.87 115.31 119.47 1jum h LEU 39 Ca -0.01 -0.38 -0.09 0.00 -0.12 0.00 0.00 57.88 57.29 1jum h LEU 39 Cb 1.13 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1jum h LEU 39 CO 0.09 1.08 -0.34 1.88 -0.62 0.00 0.00 178.44 180.54 1jum h TYR 40 N 0.73 0.19 0.04 1.25 0.05 -1.42 -1.32 116.97 116.49 1jum h TYR 40 Ca 0.11 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1jum h TYR 40 Cb 0.71 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1jum h TYR 40 CO 0.05 0.49 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.71 1jum h TYR 41 N 0.15 -0.05 0.14 4.88 3.20 -1.20 -3.29 116.97 120.81 1jum h TYR 41 Ca 0.02 -0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.60 1jum h TYR 41 Cb 0.67 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.97 1jum h TYR 41 CO 0.01 0.00 -1.29 0.45 -1.64 0.00 0.00 178.16 175.69 1jum h HIS 42 N -0.08 0.55 -3.25 -3.82 3.86 -1.44 -3.43 115.15 107.54 1jum h HIS 42 Ca -0.01 -0.40 -0.56 0.00 -1.16 0.00 0.00 60.37 58.24 1jum h HIS 42 Cb 0.07 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.12 1jum h HIS 42 CO -0.07 1.32 -0.76 -0.06 0.86 0.00 0.00 177.93 179.22 1jum s PHE 43 N -2.65 1.55 0.00 2.45 0.40 -0.51 -5.04 117.98 114.18 1jum s PHE 43 Ca -0.05 -1.44 0.00 0.00 -0.60 0.00 0.00 56.93 54.84 1jum s PHE 43 Cb 0.07 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1jum s PHE 43 CO 0.89 -0.78 0.00 1.63 0.70 0.00 0.00 175.22 177.66 1jum n LYS 44 N 4.90 0.00 -4.36 0.44 5.02 -1.24 -4.19 118.16 118.73 1jum n LYS 44 Ca -0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.03 1jum n LYS 44 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.36 1jum n LYS 44 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jum s THR 45 N -3.49 0.31 0.05 -0.18 -1.32 -1.26 -4.63 115.64 105.12 1jum s THR 45 Ca 0.00 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.21 1jum s THR 45 Cb 0.00 -2.47 -0.14 0.00 -1.51 0.00 0.00 72.50 68.37 1jum s THR 45 CO 0.00 0.00 1.41 0.50 -2.21 0.00 0.00 174.62 174.32 1jum h LYS 46 N 2.11 -0.87 -0.09 7.08 3.64 -1.96 -1.55 116.57 124.93 1jum h LYS 46 Ca -0.32 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1jum h LYS 46 Cb 1.25 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1jum h LYS 46 CO 0.50 -0.58 0.38 1.05 -2.27 0.00 0.00 179.45 178.53 1jum h GLU 47 N -0.90 0.00 0.00 1.90 4.11 -1.97 0.71 114.58 118.42 1jum h GLU 47 Ca -0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 1jum h GLU 47 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1jum h GLU 47 CO 0.09 0.00 -1.09 -0.97 0.07 0.00 0.00 179.01 177.11 1jum h ASN 48 N 0.00 0.00 -0.00 3.06 -0.73 -1.80 -2.85 115.58 113.26 1jum h ASN 48 Ca 0.04 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1jum h ASN 48 Cb 0.80 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.39 1jum h ASN 48 CO -0.00 0.73 -0.00 0.25 -0.37 0.00 0.00 177.43 178.04 1jum h LEU 49 N 0.00 0.00 -1.22 0.34 5.85 0.14 -3.04 115.31 117.38 1jum h LEU 49 Ca -0.10 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.01 1jum h LEU 49 Cb 1.64 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 1jum h LEU 49 CO 0.08 0.60 0.35 0.15 -0.34 0.00 0.00 178.44 179.28 1jum h PHE 50 N -0.59 0.87 -0.51 1.25 3.04 -1.25 -1.20 116.94 118.54 1jum h PHE 50 Ca -0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 1jum h PHE 50 Cb 0.60 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1jum h PHE 50 CO 0.13 0.61 0.35 -0.07 -2.02 0.00 0.00 178.31 177.31 1jum h LEU 51 N 0.89 0.32 0.07 0.59 3.38 -1.43 -1.14 115.31 118.00 1jum h LEU 51 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jum h LEU 51 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jum h LEU 51 CO -0.04 0.20 -0.03 -0.08 0.09 0.00 0.00 178.44 178.58 1jum h GLU 52 N 0.36 -0.09 -0.88 1.13 4.81 -1.15 -2.67 114.58 116.09 1jum h GLU 52 Ca 0.23 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.69 1jum h GLU 52 Cb 0.44 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.68 1jum h GLU 52 CO -0.06 0.33 0.04 0.82 -0.73 0.00 0.00 179.01 179.42 1jum h ILE 53 N -0.97 0.19 0.00 2.32 2.04 -1.09 1.46 117.51 121.45 1jum h ILE 53 Ca -0.01 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1jum h ILE 53 Cb 0.46 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1jum h ILE 53 CO 0.02 0.01 -0.18 0.25 0.00 0.00 0.00 178.15 178.25 1jum h LEU 54 N 0.08 0.00 0.01 1.44 5.85 -1.29 -2.31 115.31 119.10 1jum h LEU 54 Ca 0.52 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 59.02 1jum h LEU 54 Cb 1.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1jum h LEU 54 CO -0.79 0.18 -1.04 -1.13 -0.34 0.00 0.00 178.44 175.32 1jum h ASN 55 N 0.00 0.05 -0.06 1.25 -0.73 0.23 -2.92 115.58 113.39 1jum h ASN 55 Ca -0.00 -0.05 -0.20 0.00 1.87 0.00 0.00 56.30 57.92 1jum h ASN 55 Cb 0.36 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.94 1jum h ASN 55 CO 0.02 1.04 -0.71 0.40 -0.37 0.00 0.00 177.43 177.81 1jum h ILE 56 N 0.01 1.30 -0.41 2.57 2.04 -0.53 -2.82 117.51 119.67 1jum h ILE 56 Ca -0.03 -1.95 -0.12 0.00 1.00 0.00 0.00 64.86 63.76 1jum h ILE 56 Cb 1.80 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1jum h ILE 56 CO 0.14 0.61 -0.21 -0.33 0.00 0.00 0.00 178.15 178.36 1jum h GLU 57 N 0.49 0.87 -0.91 2.37 4.39 -1.55 -0.26 114.58 119.97 1jum h GLU 57 Ca -0.03 -0.38 0.22 0.00 0.34 0.00 0.00 59.36 59.51 1jum h GLU 57 Cb 1.31 -0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.82 1jum h GLU 57 CO 0.14 1.03 0.43 0.93 -1.16 0.00 0.00 179.01 180.38 1jum h GLU 58 N 0.69 0.43 0.12 2.33 4.39 -1.39 0.50 114.58 121.65 1jum h GLU 58 Ca 0.09 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.42 1jum h GLU 58 Cb 0.77 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1jum h GLU 58 CO 0.06 0.29 -1.86 0.66 -1.16 0.00 0.00 179.01 176.99 1jum h SER 59 N 0.44 0.40 -0.05 1.42 4.64 -1.32 -2.86 113.55 116.23 1jum h SER 59 Ca 0.57 -0.91 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1jum h SER 59 Cb 1.07 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1jum h SER 59 CO -0.51 1.80 0.06 0.11 -0.87 0.00 0.00 176.83 177.42 1jum h LYS 60 N -0.05 0.00 0.13 4.77 1.57 -0.66 1.22 116.57 123.55 1jum h LYS 60 Ca -0.40 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.19 1jum h LYS 60 Cb 1.96 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.28 1jum h LYS 60 CO 0.07 0.00 -0.86 2.35 -0.57 0.00 0.00 179.45 180.44 1jum h TRP 61 N 0.00 0.48 -0.06 -1.35 -0.00 -1.03 -2.95 115.95 111.04 1jum h TRP 61 Ca 0.02 -0.35 -0.06 0.00 -0.00 0.00 0.00 58.89 58.50 1jum h TRP 61 Cb 0.14 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 1jum h TRP 61 CO 0.00 1.33 -0.24 0.37 -0.00 0.00 0.00 178.44 179.90 1jum h GLN 62 N -0.42 0.10 0.02 2.65 4.15 -0.75 -2.22 115.11 118.65 1jum h GLN 62 Ca -0.16 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 58.96 1jum h GLN 62 Cb 1.61 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 29.31 1jum h GLN 62 CO 0.12 0.35 -1.07 1.49 -1.93 0.00 0.00 178.83 177.79 1jum h GLU 63 N 0.10 0.69 -0.65 1.69 4.81 0.13 -2.56 114.58 118.79 1jum h GLU 63 Ca 0.02 -0.77 -0.04 0.00 -0.13 0.00 0.00 59.36 58.44 1jum h GLU 63 Cb 0.49 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1jum h GLU 63 CO 0.03 1.34 0.26 0.37 -0.73 0.00 0.00 179.01 180.28 1jum h GLN 64 N 0.37 0.95 -0.27 1.92 4.15 -1.37 -1.91 115.11 118.95 1jum h GLN 64 Ca -0.14 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.03 1jum h GLN 64 Cb 1.73 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.24 1jum h GLN 64 CO 0.21 0.78 -0.25 2.35 -1.93 0.00 0.00 178.83 179.98 1jum h TRP 65 N 0.94 0.59 -0.18 3.99 2.91 -1.37 -1.83 115.95 121.00 1jum h TRP 65 Ca 0.22 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 1jum h TRP 65 Cb 0.18 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1jum h TRP 65 CO 0.01 0.73 0.05 -0.22 -1.03 0.00 0.00 178.44 177.99 1jum h LYS 66 N 0.46 0.28 0.00 2.65 1.63 -0.94 0.14 116.57 120.79 1jum h LYS 66 Ca 0.07 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jum h LYS 66 Cb 0.69 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1jum h LYS 66 CO 0.05 0.40 0.00 0.87 -3.45 0.00 0.00 179.45 177.32 1jum h LYS 67 N 0.11 0.00 0.00 1.90 1.57 -1.22 -3.26 116.57 115.68 1jum h LYS 67 Ca 0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1jum h LYS 67 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1jum h LYS 67 CO -0.00 0.00 -1.93 0.39 -0.57 0.00 0.00 179.45 177.34 1jum n GLU 68 N -2.93 0.84 0.00 3.15 1.02 -0.70 -4.42 120.64 117.59 1jum n GLU 68 Ca -0.00 -0.10 0.04 0.00 -0.02 0.00 0.00 57.16 57.07 1jum n GLU 68 Cb 0.23 -1.42 0.19 0.00 -0.02 0.00 0.00 31.44 30.42 1jum n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jum n GLN 69 N -2.30 0.14 0.14 3.49 10.64 0.45 -3.06 117.38 126.88 1jum n GLN 69 Ca -0.12 0.16 -0.14 0.00 -1.83 0.00 0.00 57.00 55.07 1jum n GLN 69 Cb 0.68 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.49 1jum n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1jum h ILE 70 N 0.00 0.79 0.00 -0.39 1.08 -1.77 -2.35 117.51 114.87 1jum h ILE 70 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jum h ILE 70 Cb 0.05 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1jum h ILE 70 CO 0.00 0.00 0.29 0.29 -0.69 0.00 0.00 178.15 178.04 1jum n LYS 71 N -5.21 0.04 -3.46 2.37 4.01 -1.17 -4.10 118.16 110.63 1jum n LYS 71 Ca -0.09 0.40 -0.43 0.00 -0.51 0.00 0.00 58.31 57.68 1jum n LYS 71 Cb 0.14 -1.91 -0.08 0.00 -0.51 0.00 0.00 35.03 32.67 1jum n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jum s ALA 72 N -2.88 3.48 0.13 7.82 0.00 -0.89 -4.96 121.76 124.45 1jum s ALA 72 Ca -0.01 -2.37 -0.17 0.00 0.00 0.00 0.00 51.96 49.41 1jum s ALA 72 Cb 0.02 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1jum s ALA 72 CO 0.05 -1.84 1.71 0.87 0.00 0.00 0.00 175.76 176.54 1jum h LYS 73 N 8.63 0.47 -6.20 0.00 1.57 -1.84 -3.42 116.57 115.77 1jum h LYS 73 Ca -0.25 -0.07 -0.51 0.00 -1.87 0.00 0.00 60.65 57.95 1jum h LYS 73 Cb 1.09 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1jum h LYS 73 CO 0.89 0.42 -0.52 0.95 -0.57 0.00 0.00 179.45 180.62 1jum s THR 74 N -5.75 4.23 0.08 -0.16 -4.23 -1.26 -4.99 115.64 103.56 1jum s THR 74 Ca -0.13 -1.43 0.33 0.00 -1.18 0.00 0.00 61.69 59.28 1jum s THR 74 Cb 0.09 -3.33 0.38 0.00 1.34 0.00 0.00 72.50 70.98 1jum s THR 74 CO 0.73 -0.32 1.98 0.78 -0.54 0.00 0.00 174.62 177.25 1jum h ASN 75 N 1.47 0.00 0.58 3.99 -0.26 -1.88 -0.24 115.58 119.24 1jum h ASN 75 Ca -0.48 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.19 1jum h ASN 75 Cb 1.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.49 1jum h ASN 75 CO 0.60 0.00 -0.34 -0.09 -1.06 0.00 0.00 177.43 176.54 1jum h ARG 76 N 0.00 0.00 0.20 0.81 2.43 -1.94 -2.14 114.38 113.73 1jum h ARG 76 Ca 0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 1jum h ARG 76 Cb 0.44 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1jum h ARG 76 CO 0.00 0.34 -1.69 0.93 -1.51 0.00 0.00 179.97 178.04 1jum h GLU 77 N 0.00 0.42 -0.84 0.20 5.08 -1.44 -3.24 114.58 114.75 1jum h GLU 77 Ca -0.00 -0.72 0.10 0.00 -1.00 0.00 0.00 59.36 57.74 1jum h GLU 77 Cb 0.72 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 1jum h GLU 77 CO 0.04 1.34 0.48 0.87 -1.00 0.00 0.00 179.01 180.74 1jum h LYS 78 N 0.11 0.77 0.12 2.33 1.57 -1.13 0.16 116.57 120.51 1jum h LYS 78 Ca -0.32 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1jum h LYS 78 Cb 2.11 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 1jum h LYS 78 CO 0.20 0.51 -0.11 0.35 -0.57 0.00 0.00 179.45 179.83 1jum h PHE 79 N 0.79 -0.31 -0.82 -1.35 3.57 -1.48 0.33 116.94 117.68 1jum h PHE 79 Ca 0.41 0.00 0.17 0.00 3.53 0.00 0.00 57.97 62.08 1jum h PHE 79 Cb 0.41 0.12 -0.15 0.00 2.79 0.00 0.00 35.95 39.11 1jum h PHE 79 CO -0.06 -0.15 -0.19 1.88 -2.23 0.00 0.00 178.31 177.56 1jum h TYR 80 N -0.23 -0.41 -0.03 0.41 0.05 -1.46 -1.46 116.97 113.84 1jum h TYR 80 Ca -0.02 0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1jum h TYR 80 Cb 0.20 0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 1jum h TYR 80 CO -0.08 -0.35 0.00 1.25 -1.05 0.00 0.00 178.16 177.93 1jum h LEU 81 N 0.00 0.05 -0.90 3.88 5.85 -0.55 -2.17 115.31 121.48 1jum h LEU 81 Ca 0.40 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1jum h LEU 81 Cb 0.62 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1jum h LEU 81 CO -0.83 0.31 0.53 0.22 -0.34 0.00 0.00 178.44 178.32 1jum h TYR 82 N -0.20 0.96 -0.28 1.25 3.20 0.49 0.13 116.97 122.52 1jum h TYR 82 Ca 0.01 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1jum h TYR 82 Cb 0.28 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1jum h TYR 82 CO 0.02 0.35 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.81 1jum h ASN 83 N 0.83 0.47 -0.08 -2.11 -0.26 -1.22 -2.69 115.58 110.52 1jum h ASN 83 Ca 0.46 -0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.97 1jum h ASN 83 Cb 0.50 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1jum h ASN 83 CO -0.28 0.66 -0.31 -0.33 -1.06 0.00 0.00 177.43 176.10 1jum h GLU 84 N 0.44 0.36 -0.11 0.81 5.08 -0.14 -3.14 114.58 117.87 1jum h GLU 84 Ca 0.08 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1jum h GLU 84 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1jum h GLU 84 CO 0.03 0.91 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.84 1jum h LEU 85 N -0.12 0.15 -0.93 1.33 3.38 -1.10 -2.41 115.31 115.61 1jum h LEU 85 Ca -0.02 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.12 1jum h LEU 85 Cb 0.95 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1jum h LEU 85 CO 0.07 0.22 0.51 0.28 0.09 0.00 0.00 178.44 179.60 1jum h SER 86 N 0.16 0.60 0.89 -0.43 0.02 -1.42 0.30 113.55 113.67 1jum h SER 86 Ca 0.04 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jum h SER 86 Cb 0.18 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1jum h SER 86 CO 0.01 0.19 0.00 -0.07 -1.14 0.00 0.00 176.83 175.82 1jum h LEU 87 N 0.63 0.00 0.00 5.07 3.38 -1.53 -3.33 115.31 119.53 1jum h LEU 87 Ca 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.46 1jum h LEU 87 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1jum h LEU 87 CO -0.41 0.00 -1.24 0.35 0.09 0.00 0.00 178.44 177.23 1jum n THR 88 N -2.73 0.18 -1.44 0.22 -2.24 0.49 -5.04 114.28 103.71 1jum n THR 88 Ca 0.01 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 1jum n THR 88 Cb 0.27 -0.50 0.05 0.00 -2.10 0.00 0.00 70.33 68.05 1jum n THR 88 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jum n THR 89 N -1.99 2.38 -0.79 4.28 5.66 0.75 -4.85 114.28 119.72 1jum n THR 89 Ca -0.05 -0.48 0.08 0.00 -3.05 0.00 0.00 64.05 60.56 1jum n THR 89 Cb 0.46 -0.76 0.35 0.00 -1.55 0.00 0.00 70.33 68.84 1jum n THR 89 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jum n GLU 90 N -0.33 4.07 -4.57 1.09 0.00 -1.26 -4.93 120.64 114.70 1jum n GLU 90 Ca 0.12 -2.97 -0.32 0.00 0.00 0.00 0.00 57.16 53.99 1jum n GLU 90 Cb 0.48 -2.02 -0.11 0.00 0.00 0.00 0.00 31.44 29.79 1jum n GLU 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jum s TYR 91 N -2.37 2.80 0.00 -1.84 1.51 -1.26 -4.89 117.35 111.29 1jum s TYR 91 Ca 0.50 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 1jum s TYR 91 Cb 0.36 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1jum s TYR 91 CO 0.18 0.32 0.00 0.98 -1.11 0.00 0.00 175.55 175.92 1jum n TYR 92 N 1.72 0.00 0.01 2.71 4.19 -1.26 -4.37 117.16 120.15 1jum n TYR 92 Ca -0.16 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.19 1jum n TYR 92 Cb 0.52 0.00 0.21 0.00 0.49 0.00 0.00 39.34 40.56 1jum n TYR 92 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jum n TYR 93 N 0.00 0.00 0.48 2.98 4.01 -1.26 0.02 117.16 123.39 1jum n TYR 93 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1jum n TYR 93 Cb 0.00 -0.13 0.36 0.00 -0.31 0.00 0.00 39.34 39.26 1jum n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jum h PRO 94 N 0.00 0.00 -0.01 -0.72 0.11 -1.90 -3.08 132.00 126.40 1jum h PRO 94 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1jum h PRO 94 Cb 2.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.24 1jum h PRO 94 CO -0.00 0.00 -0.15 1.28 -0.21 0.00 0.00 178.00 178.92 1jum n LEU 95 N -2.53 0.84 -0.42 2.35 4.77 0.10 -4.09 117.00 118.03 1jum n LEU 95 Ca 0.05 -0.18 0.35 0.00 -0.03 0.00 0.00 56.01 56.19 1jum n LEU 95 Cb 0.44 -0.12 0.65 0.00 -2.33 0.00 0.00 43.42 42.06 1jum n LEU 95 CO 0.30 0.15 1.28 -0.61 -1.33 0.00 0.00 177.39 177.18 1jum h GLN 96 N 1.09 0.14 -0.37 3.23 5.75 -1.66 0.89 115.11 124.18 1jum h GLN 96 Ca 0.00 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 1jum h GLN 96 Cb 0.43 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1jum h GLN 96 CO 0.00 0.09 -0.27 -0.97 -2.65 0.00 0.00 178.83 175.03 1jum h ASN 97 N 0.14 0.79 0.11 -0.69 -0.73 -1.84 -2.42 115.58 110.93 1jum h ASN 97 Ca 0.72 -0.30 -0.18 0.00 1.87 0.00 0.00 56.30 58.41 1jum h ASN 97 Cb 2.36 -0.22 0.02 0.00 0.27 0.00 0.00 38.32 40.75 1jum h ASN 97 CO -0.26 1.02 -0.75 0.00 -0.37 0.00 0.00 177.43 177.07 1jum h ALA 98 N 1.03 -0.05 -1.00 1.57 0.00 0.27 -3.18 119.26 117.91 1jum h ALA 98 Ca 0.08 -0.66 0.29 0.00 0.00 0.00 0.00 54.91 54.62 1jum h ALA 98 Cb 0.79 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1jum h ALA 98 CO 0.07 0.36 0.56 0.82 0.00 0.00 0.00 179.25 181.06 1jum h ILE 99 N -0.31 0.38 0.16 0.00 2.04 -0.06 0.79 117.51 120.50 1jum h ILE 99 Ca -0.12 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1jum h ILE 99 Cb 1.55 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1jum h ILE 99 CO 0.14 0.07 -0.08 0.40 0.00 0.00 0.00 178.15 178.69 1jum h ILE 100 N 0.41 0.00 -1.32 -0.67 1.08 -1.47 -2.22 117.51 113.31 1jum h ILE 100 Ca 0.70 -0.12 0.39 0.00 -0.39 0.00 0.00 64.86 65.44 1jum h ILE 100 Cb 1.49 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.15 1jum h ILE 100 CO -0.56 0.00 0.89 -0.33 -0.69 0.00 0.00 178.15 177.46 1jum h GLU 101 N -0.33 0.12 0.00 2.37 5.08 -1.41 0.19 114.58 120.60 1jum h GLU 101 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jum h GLU 101 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jum h GLU 101 CO 0.04 0.08 0.00 0.34 -1.00 0.00 0.00 179.01 178.47 1jum n PHE 102 N -4.43 0.00 -0.34 4.33 -0.00 0.22 -3.67 117.46 113.57 1jum n PHE 102 Ca 0.32 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.94 1jum n PHE 102 Cb 1.34 -0.20 0.32 0.00 -0.00 0.00 0.00 39.48 40.94 1jum n PHE 102 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1jum n TYR 103 N -1.10 0.68 0.35 -5.13 4.19 -0.84 0.13 117.16 115.44 1jum n TYR 103 Ca 0.00 1.20 0.00 0.00 3.31 0.00 0.00 57.90 62.41 1jum n TYR 103 Cb 0.00 -1.27 0.00 0.00 0.49 0.00 0.00 39.34 38.56 1jum n TYR 103 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1jum n THR 104 N -5.47 0.00 0.00 2.97 -2.24 0.62 -1.99 114.28 108.17 1jum n THR 104 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1jum n THR 104 Cb 0.81 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.31 0.16 -0.81 -0.78 2.13 0.35 -4.84 120.64 117.15 1jum n GLU 105 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1jum n GLU 105 Cb 0.08 -0.53 0.21 0.00 0.27 0.00 0.00 31.44 31.47 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 -1.00 1.37 1.36 4.31 4.01 -1.04 -4.51 117.16 121.66 1jum n TYR 106 Ca 0.00 -1.49 0.05 0.00 -0.16 0.00 0.00 57.90 56.30 1jum n TYR 106 Cb 0.03 -0.53 0.18 0.00 -0.31 0.00 0.00 39.34 38.72 1jum n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jum n TYR 107 N -0.98 0.25 -0.12 -0.72 4.11 -0.84 -3.50 117.16 115.36 1jum n TYR 107 Ca 0.35 -0.13 -0.25 0.00 -0.00 0.00 0.00 57.90 57.87 1jum n TYR 107 Cb 1.11 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 40.37 1jum n TYR 107 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1jum n LYS 108 N 0.08 0.50 -1.88 -3.48 3.00 -1.26 -4.92 118.16 110.20 1jum n LYS 108 Ca 0.09 0.22 -0.42 0.00 -0.00 0.00 0.00 58.31 58.21 1jum n LYS 108 Cb 0.19 -1.33 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 1jum n LYS 108 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1jum s THR 109 N -2.44 3.31 0.32 3.15 -4.23 -1.23 -4.87 115.64 109.66 1jum s THR 109 Ca -0.33 0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 1jum s THR 109 Cb 0.12 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.82 1jum s THR 109 CO 0.41 -0.36 1.61 0.78 -0.54 0.00 0.00 174.62 176.52 1jum h ASN 110 N 14.37 0.05 0.00 3.99 4.21 -1.91 -2.26 115.58 134.03 1jum h ASN 110 Ca -0.33 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1jum h ASN 110 Cb 1.19 0.30 0.00 0.00 -1.12 0.00 0.00 38.32 38.70 1jum h ASN 110 CO 1.06 -0.28 0.00 -1.20 -1.29 0.00 0.00 177.43 175.72 1jum n SER 111 N -5.27 0.00 0.30 5.81 7.64 -1.26 -2.41 113.62 118.42 1jum n SER 111 Ca 0.28 0.70 0.15 0.00 1.01 0.00 0.00 58.87 61.01 1jum n SER 111 Cb 0.91 -0.20 0.93 0.00 -1.01 0.00 0.00 64.21 64.84 1jum n SER 111 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1jum h ILE 112 N 0.00 0.51 0.00 0.44 5.03 -1.79 -2.95 117.51 118.75 1jum h ILE 112 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1jum h ILE 112 Cb 0.00 1.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1jum h ILE 112 CO 0.00 0.00 0.00 -3.20 -0.68 0.00 0.00 178.15 174.27 1jum n ASN 113 N -3.82 0.00 -0.09 1.72 5.15 -0.87 -1.81 115.26 115.53 1jum n ASN 113 Ca -0.03 -0.15 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 1jum n ASN 113 Cb 0.08 -0.25 -0.12 0.00 -0.53 0.00 0.00 39.78 38.96 1jum n ASN 113 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1jum n GLU 114 N -1.25 0.64 -0.18 1.20 1.02 -1.11 -3.48 120.64 117.47 1jum n GLU 114 Ca 0.13 0.33 0.11 0.00 -0.02 0.00 0.00 57.16 57.70 1jum n GLU 114 Cb 0.18 -1.63 0.43 0.00 -0.02 0.00 0.00 31.44 30.40 1jum n GLU 114 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jum h LYS 115 N -0.50 0.57 -0.35 3.49 1.79 -1.63 0.15 116.57 120.09 1jum h LYS 115 Ca -0.51 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 57.88 1jum h LYS 115 Cb 1.70 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 1jum h LYS 115 CO -0.16 0.38 0.01 0.52 -1.08 0.00 0.00 179.45 179.12 1jum h MET 116 N 0.59 0.61 0.00 3.15 2.86 -1.50 -2.25 114.93 118.38 1jum h MET 116 Ca 0.35 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1jum h MET 116 Cb 0.57 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1jum h MET 116 CO -0.13 0.72 -0.34 -0.91 1.06 0.00 0.00 176.91 177.31 1jum h ASN 117 N 0.42 0.00 0.11 1.22 4.21 -1.21 0.36 115.58 120.69 1jum h ASN 117 Ca 0.10 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.63 1jum h ASN 117 Cb 0.43 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1jum h ASN 117 CO 0.02 0.34 -0.23 0.50 -1.29 0.00 0.00 177.43 176.77 1jum h LYS 118 N 0.00 -0.40 -0.31 0.81 3.64 -0.18 -2.14 116.57 117.98 1jum h LYS 118 Ca -0.00 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1jum h LYS 118 Cb 0.62 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1jum h LYS 118 CO 0.04 -0.27 -0.35 -0.07 -2.27 0.00 0.00 179.45 176.54 1jum h LEU 119 N -0.42 0.73 0.05 5.20 4.07 -1.08 -2.09 115.31 121.77 1jum h LEU 119 Ca 0.03 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.70 1jum h LEU 119 Cb 0.44 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1jum h LEU 119 CO -0.13 1.01 -0.54 -0.33 -1.08 0.00 0.00 178.44 177.37 1jum h GLU 120 N 0.58 -0.68 -0.85 1.13 4.39 -0.06 -1.03 114.58 118.05 1jum h GLU 120 Ca 0.06 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1jum h GLU 120 Cb 0.87 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 1jum h GLU 120 CO 0.08 -0.45 0.49 -0.91 -1.16 0.00 0.00 179.01 177.05 1jum h ASN 121 N -0.71 1.05 -0.85 1.42 -0.26 -1.38 -1.36 115.58 113.49 1jum h ASN 121 Ca 0.00 -0.08 0.12 0.00 -0.56 0.00 0.00 56.30 55.78 1jum h ASN 121 Cb 0.74 -0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 37.67 1jum h ASN 121 CO -0.33 0.83 0.55 0.50 -1.06 0.00 0.00 177.43 177.92 1jum h LYS 122 N 1.18 0.70 0.19 0.81 3.64 -0.96 0.17 116.57 122.30 1jum h LYS 122 Ca 0.30 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1jum h LYS 122 Cb -0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1jum h LYS 122 CO -0.05 0.47 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.58 1jum h TYR 123 N 0.73 -0.24 -0.02 1.91 3.20 -0.16 -3.26 116.97 119.12 1jum h TYR 123 Ca 0.41 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1jum h TYR 123 Cb 0.57 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1jum h TYR 123 CO -0.00 0.09 0.01 0.82 -1.64 0.00 0.00 178.16 177.45 1jum h ILE 124 N -0.97 0.71 -0.77 1.81 1.08 -1.18 -2.96 117.51 115.24 1jum h ILE 124 Ca -0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.53 1jum h ILE 124 Cb 0.44 0.99 -0.11 0.00 -3.07 0.00 0.00 36.82 35.06 1jum h ILE 124 CO 0.04 0.00 -0.51 -0.78 -0.69 0.00 0.00 178.15 176.21 1jum h ASP 125 N 0.00 -1.83 -0.97 1.72 -0.00 -0.71 -1.61 116.42 113.02 1jum h ASP 125 Ca 0.01 0.29 0.28 0.00 -0.00 0.00 0.00 57.03 57.61 1jum h ASP 125 Cb 0.04 0.82 -0.14 0.00 -0.00 0.00 0.00 39.33 40.04 1jum h ASP 125 CO -0.00 -0.30 0.50 0.00 -0.00 0.00 0.00 179.24 179.44 1jum h ALA 126 N 0.55 1.77 0.00 -0.78 0.00 -1.65 1.45 119.26 120.60 1jum h ALA 126 Ca 0.17 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1jum h ALA 126 Cb 0.52 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1jum h ALA 126 CO -0.81 -0.48 -0.52 1.88 0.00 0.00 0.00 179.25 179.32 1jum h TYR 127 N 0.36 0.00 0.61 0.00 0.05 -1.52 -2.98 116.97 113.49 1jum h TYR 127 Ca 0.67 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.43 1jum h TYR 127 Cb 1.44 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.17 1jum h TYR 127 CO -0.06 0.52 -0.50 1.25 -1.05 0.00 0.00 178.16 178.32 1jum h HIS 128 N 0.00 -1.36 -0.76 4.88 2.76 0.27 -1.94 115.15 119.01 1jum h HIS 128 Ca -0.01 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1jum h HIS 128 Cb 1.05 0.51 -0.06 0.00 1.55 0.00 0.00 27.41 30.46 1jum h HIS 128 CO 0.00 -0.69 0.44 0.28 -1.30 0.00 0.00 177.93 176.66 1jum h VAL 129 N -1.07 0.98 -0.91 5.26 2.07 -1.40 0.16 116.25 121.33 1jum h VAL 129 Ca -0.08 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.31 1jum h VAL 129 Cb 0.90 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 1jum h VAL 129 CO 0.00 0.14 0.58 0.40 0.02 0.00 0.00 177.57 178.72 1jum h ILE 130 N 0.79 0.85 0.10 4.57 1.08 -1.35 -1.10 117.51 122.46 1jum h ILE 130 Ca 0.34 -0.26 -0.24 0.00 -0.39 0.00 0.00 64.86 64.31 1jum h ILE 130 Cb 0.22 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 1jum h ILE 130 CO -0.19 0.14 -1.22 -0.26 -0.69 0.00 0.00 178.15 175.93 1jum h PHE 131 N 0.76 0.39 0.10 1.37 0.04 -0.48 -3.13 116.94 115.98 1jum h PHE 131 Ca 0.46 -0.28 0.01 0.00 2.80 0.00 0.00 57.97 60.95 1jum h PHE 131 Cb 0.66 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 1jum h PHE 131 CO -0.00 1.47 -0.34 -0.22 -0.60 0.00 0.00 178.31 178.62 1jum h LYS 132 N -0.42 -0.48 -0.29 1.51 3.64 -0.41 -0.23 116.57 119.88 1jum h LYS 132 Ca -0.26 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1jum h LYS 132 Cb 1.65 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 1jum h LYS 132 CO 0.04 -0.32 0.30 0.93 -2.27 0.00 0.00 179.45 178.14 1jum h GLU 133 N -0.50 0.00 0.00 1.90 4.39 -1.40 0.56 114.58 119.52 1jum h GLU 133 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1jum h GLU 133 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1jum h GLU 133 CO -0.17 0.00 -0.27 0.78 -1.16 0.00 0.00 179.01 178.18 1jum h GLY 134 N 0.00 0.00 0.01 -3.84 0.00 -1.02 -0.64 103.07 97.59 1jum h GLY 134 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1jum h GLY 134 CO -0.00 0.00 -0.27 3.43 0.00 0.00 0.00 176.54 179.69 1jum h ASN 135 N 0.00 0.01 0.11 0.19 2.35 0.10 1.00 115.58 119.35 1jum h ASN 135 Ca -0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 1jum h ASN 135 Cb 0.83 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1jum h ASN 135 CO 0.04 1.11 0.00 0.18 -1.65 0.00 0.00 177.43 177.10 1jum n LEU 136 N -4.56 0.00 -0.52 1.61 4.77 -0.63 -0.46 117.00 117.20 1jum n LEU 136 Ca -0.15 0.46 0.05 0.00 -0.03 0.00 0.00 56.01 56.34 1jum n LEU 136 Cb 0.53 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1jum n LEU 136 CO 0.31 -0.40 0.58 0.59 -1.33 0.00 0.00 177.39 177.14 1jum n ASN 137 N -1.46 2.66 -3.59 -1.43 4.13 -0.25 -4.99 115.26 110.32 1jum n ASN 137 Ca 0.01 -1.92 -0.27 0.00 1.68 0.00 0.00 54.58 54.08 1jum n ASN 137 Cb 0.04 -0.17 0.02 0.00 -1.54 0.00 0.00 39.78 38.13 1jum n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jum n GLY 138 N 0.39 -0.50 0.10 7.41 0.00 0.39 -4.85 105.19 108.14 1jum n GLY 138 Ca 0.09 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 1jum n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jum n GLU 139 N -4.27 0.68 -3.95 1.61 1.02 0.33 -5.00 120.64 111.06 1jum n GLU 139 Ca 0.00 0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1jum n GLU 139 Cb 0.55 -1.74 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1jum n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1jum s TRP 140 N -2.58 0.65 -0.31 -0.32 -2.14 -1.11 -5.06 118.94 108.08 1jum s TRP 140 Ca -0.12 -1.11 -0.01 0.00 2.66 0.00 0.00 56.10 57.52 1jum s TRP 140 Cb 0.07 0.37 0.13 0.00 -3.10 0.00 0.00 33.47 30.95 1jum s TRP 140 CO 0.80 -1.39 0.27 0.45 -2.66 0.00 0.00 176.95 174.42 1jum s SER 141 N -3.18 2.09 -0.10 -2.66 0.15 -1.26 -4.17 113.70 104.57 1jum s SER 141 Ca 0.24 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.79 1jum s SER 141 Cb -0.03 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1jum s SER 141 CO 0.17 -0.37 -0.19 0.27 1.20 0.00 0.00 173.24 174.32 1jum s ILE 142 N 2.05 2.51 0.00 6.45 -4.36 -1.26 -4.57 121.20 122.02 1jum s ILE 142 Ca 0.11 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.64 1jum s ILE 142 Cb -0.15 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1jum s ILE 142 CO -0.26 0.55 0.80 0.59 0.24 0.00 0.00 174.94 176.86 1jum n ASN 143 N 3.37 0.00 -4.41 4.36 4.13 -1.26 -4.29 115.26 117.16 1jum n ASN 143 Ca -0.18 0.89 -0.44 0.00 1.68 0.00 0.00 54.58 56.52 1jum n ASN 143 Cb 0.53 -0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 38.25 1jum n ASN 143 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1jum s ASP 144 N -2.16 6.19 0.00 6.41 3.68 -1.26 -4.78 116.67 124.75 1jum s ASP 144 Ca 0.00 -1.18 0.28 0.00 2.13 0.00 0.00 52.55 53.78 1jum s ASP 144 Cb 0.00 -2.35 1.59 0.00 -1.45 0.00 0.00 42.92 40.71 1jum s ASP 144 CO 0.00 -1.21 1.99 0.52 0.13 0.00 0.00 175.17 176.60 1jum n VAL 145 N 5.71 0.04 -0.07 1.11 0.31 -1.26 -2.85 118.33 121.31 1jum n VAL 145 Ca -0.07 0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 1jum n VAL 145 Cb 0.44 -0.57 -0.16 0.00 -0.91 0.00 0.00 33.84 32.64 1jum n VAL 145 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jum n ASN 146 N -1.08 0.17 0.07 4.52 4.13 -1.26 -3.33 115.26 118.48 1jum n ASN 146 Ca 0.19 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.24 1jum n ASN 146 Cb 0.13 1.23 -0.15 0.00 -1.54 0.00 0.00 39.78 39.45 1jum n ASN 146 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jum h ALA 147 N 1.21 0.18 -0.37 5.41 0.00 -1.94 -2.24 119.26 121.51 1jum h ALA 147 Ca -0.40 -1.12 -0.13 0.00 0.00 0.00 0.00 54.91 53.26 1jum h ALA 147 Cb 1.90 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 1jum h ALA 147 CO 0.02 1.05 -0.28 0.28 0.00 0.00 0.00 179.25 180.32 1jum h VAL 148 N 0.10 1.28 -0.31 0.00 2.07 -1.75 0.15 116.25 117.79 1jum h VAL 148 Ca -0.30 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 1jum h VAL 148 Cb 2.08 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1jum h VAL 148 CO 0.18 0.48 0.13 -1.28 0.02 0.00 0.00 177.57 177.10 1jum h SER 149 N 0.65 0.38 0.14 0.57 0.87 -1.62 0.32 113.55 114.87 1jum h SER 149 Ca 0.07 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.38 1jum h SER 149 Cb 0.86 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1jum h SER 149 CO 0.08 0.34 -1.03 0.50 -0.53 0.00 0.00 176.83 176.19 1jum h LYS 150 N 0.43 0.30 0.12 2.24 3.64 -1.19 -2.37 116.57 119.74 1jum h LYS 150 Ca 0.11 -0.52 0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1jum h LYS 150 Cb 0.08 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1jum h LYS 150 CO -0.01 1.25 -0.21 0.82 -2.27 0.00 0.00 179.45 179.03 1jum h ILE 151 N -0.31 0.53 0.41 2.00 2.04 -0.39 -1.32 117.51 120.47 1jum h ILE 151 Ca -0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1jum h ILE 151 Cb 1.72 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1jum h ILE 151 CO 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.88 1jum h ALA 152 N 0.40 -0.88 -0.96 1.87 0.00 -1.08 0.91 119.26 119.52 1jum h ALA 152 Ca 0.02 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1jum h ALA 152 Cb 0.41 0.58 -0.17 0.00 0.00 0.00 0.00 17.79 18.60 1jum h ALA 152 CO -0.11 -1.03 0.11 0.00 0.00 0.00 0.00 179.25 178.22 1jum h ALA 153 N -0.47 1.27 0.16 0.00 0.00 -1.16 -1.86 119.26 117.22 1jum h ALA 153 Ca -0.04 0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 1jum h ALA 153 Cb 0.74 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jum h ALA 153 CO -0.06 -0.59 -1.48 -0.91 0.00 0.00 0.00 179.25 176.21 1jum h ASN 154 N 0.04 0.52 0.04 0.00 -0.26 -0.39 -2.95 115.58 112.59 1jum h ASN 154 Ca 0.61 -0.65 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1jum h ASN 154 Cb 1.30 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1jum h ASN 154 CO -0.86 1.52 -0.02 0.00 -1.06 0.00 0.00 177.43 177.02 1jum h ALA 155 N 0.40 -0.06 -0.10 -0.83 0.00 -0.29 -0.57 119.26 117.81 1jum h ALA 155 Ca -0.23 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1jum h ALA 155 Cb 2.05 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.80 1jum h ALA 155 CO 0.20 -0.46 -0.43 0.28 0.00 0.00 0.00 179.25 178.84 1jum h VAL 156 N -0.20 0.14 -0.99 0.00 2.07 -1.49 0.04 116.25 115.81 1jum h VAL 156 Ca -0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.72 1jum h VAL 156 Cb 0.18 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 1jum h VAL 156 CO 0.01 0.00 0.59 -1.13 0.02 0.00 0.00 177.57 177.06 1jum h ASN 157 N -0.52 0.72 0.11 0.57 -0.73 -1.36 0.38 115.58 114.75 1jum h ASN 157 Ca 0.07 0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.22 1jum h ASN 157 Cb 0.64 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 1jum h ASN 157 CO -0.38 0.20 -0.47 1.23 -0.37 0.00 0.00 177.43 177.64 1jum h GLY 158 N 0.68 0.46 1.10 1.57 0.00 0.09 -1.75 103.07 105.23 1jum h GLY 158 Ca 0.60 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1jum h GLY 158 CO -0.42 0.44 0.08 -2.22 0.00 0.00 0.00 176.54 174.42 1jum h ILE 159 N 0.34 1.26 -0.07 2.60 2.04 0.15 -1.33 117.51 122.50 1jum h ILE 159 Ca 0.02 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1jum h ILE 159 Cb 0.95 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1jum h ILE 159 CO 0.08 0.40 -0.04 0.58 0.00 0.00 0.00 178.15 179.17 1jum h VAL 160 N 1.02 1.33 0.00 1.67 2.07 -0.50 -3.15 116.25 118.69 1jum h VAL 160 Ca 0.20 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1jum h VAL 160 Cb 0.47 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1jum h VAL 160 CO 0.02 0.30 -0.43 0.35 0.02 0.00 0.00 177.57 177.83 1jum n THR 161 N -4.76 0.01 -0.27 2.57 -2.24 -0.68 -3.67 114.28 105.23 1jum n THR 161 Ca -0.07 -0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1jum n THR 161 Cb 0.26 0.13 0.22 0.00 -2.10 0.00 0.00 70.33 68.84 1jum n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jum n PHE 162 N -1.51 0.68 -2.01 4.78 3.01 -0.51 -4.09 117.46 117.81 1jum n PHE 162 Ca 0.06 -0.51 0.05 0.00 1.01 0.00 0.00 57.45 58.05 1jum n PHE 162 Cb 0.34 -0.03 0.08 0.00 -0.01 0.00 0.00 39.48 39.86 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 0.91 0.84 0.96 4.37 -1.04 -1.19 -4.81 114.28 114.32 1jum n THR 163 Ca 0.17 -1.62 0.00 0.00 -2.04 0.00 0.00 64.05 60.56 1jum n THR 163 Cb 0.52 0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 1jum n THR 163 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jum n HIS 164 N -0.25 0.00 -0.03 -1.42 -0.00 -1.24 -3.90 115.22 108.37 1jum n HIS 164 Ca 0.10 -0.38 -0.06 0.00 -0.00 0.00 0.00 57.72 57.38 1jum n HIS 164 Cb 0.89 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.99 30.64 1jum n HIS 164 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1jum n GLU 165 N 0.41 0.16 -1.62 1.57 0.00 -1.26 -5.11 120.64 114.80 1jum n GLU 165 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 57.16 57.10 1jum n GLU 165 Cb 0.43 -1.00 0.06 0.00 0.00 0.00 0.00 31.44 30.93 1jum n GLU 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jum n GLN 166 N -2.92 0.32 -1.39 3.44 0.00 -1.25 -5.00 117.38 110.58 1jum n GLN 166 Ca -0.13 -1.36 -0.51 0.00 0.00 0.00 0.00 57.00 55.01 1jum n GLN 166 Cb 0.62 -0.30 -0.10 0.00 0.00 0.00 0.00 30.24 30.45 1jum n GLN 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1jum n ASN 167 N -2.92 1.28 -0.41 2.61 4.05 -1.26 -4.78 115.26 113.84 1jum n ASN 167 Ca 0.08 0.40 0.37 0.00 0.45 0.00 0.00 54.58 55.88 1jum n ASN 167 Cb 0.29 -1.09 0.58 0.00 1.23 0.00 0.00 39.78 40.79 1jum n ASN 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jum n ILE 168 N 7.06 0.00 -0.03 -1.44 0.13 -1.26 0.17 119.36 123.99 1jum n ILE 168 Ca 0.51 1.31 -0.14 0.00 -1.10 0.00 0.00 62.75 63.33 1jum n ILE 168 Cb 0.12 -2.27 -0.11 0.00 -0.84 0.00 0.00 39.64 36.54 1jum n ILE 168 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1jum h ASN 169 N 0.00 0.07 -0.55 9.51 2.35 -2.00 -2.09 115.58 122.88 1jum h ASN 169 Ca 0.66 -0.66 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1jum h ASN 169 Cb 3.18 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 41.45 1jum h ASN 169 CO -0.01 0.73 0.08 -0.33 -1.65 0.00 0.00 177.43 176.25 1jum h GLU 170 N -0.57 0.20 0.28 0.81 4.39 0.14 0.34 114.58 120.17 1jum h GLU 170 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1jum h GLU 170 Cb 0.72 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 1jum h GLU 170 CO 0.01 0.13 -0.51 0.00 -1.16 0.00 0.00 179.01 177.49 1jum h ARG 171 N 0.21 -0.82 -0.82 2.33 3.08 -1.28 -1.33 114.38 115.75 1jum h ARG 171 Ca 0.28 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.57 1jum h ARG 171 Cb 0.41 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1jum h ARG 171 CO -0.39 -0.54 0.55 0.82 -1.07 0.00 0.00 179.97 179.33 1jum h ILE 172 N -0.85 0.73 -0.19 2.04 2.04 -0.58 -1.30 117.51 119.39 1jum h ILE 172 Ca -0.03 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 1jum h ILE 172 Cb 0.80 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1jum h ILE 172 CO -0.19 0.07 -0.39 0.50 0.00 0.00 0.00 178.15 178.14 1jum h LYS 173 N 0.37 0.43 0.12 2.37 3.64 0.09 -2.54 116.57 121.05 1jum h LYS 173 Ca 0.41 -0.20 -0.23 0.00 -1.27 0.00 0.00 60.65 59.36 1jum h LYS 173 Cb 1.05 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1jum h LYS 173 CO -0.13 0.75 -0.97 -0.07 -2.27 0.00 0.00 179.45 176.75 1jum h LEU 174 N 0.36 0.64 -1.96 5.20 3.38 -0.31 -2.51 115.31 120.11 1jum h LEU 174 Ca 0.03 -0.88 0.10 0.00 0.09 0.00 0.00 57.88 57.23 1jum h LEU 174 Cb 0.84 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1jum h LEU 174 CO 0.07 1.46 0.43 -0.03 0.09 0.00 0.00 178.44 180.46 1jum h MET 175 N -0.08 0.00 0.14 1.13 4.05 -1.20 0.21 114.93 119.19 1jum h MET 175 Ca -0.16 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.90 1jum h MET 175 Cb 1.72 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.51 1jum h MET 175 CO 0.19 0.00 -1.93 -0.91 0.23 0.00 0.00 176.91 174.48 1jum h ASN 176 N 0.00 0.47 -0.61 1.39 -0.26 -1.33 -0.70 115.58 114.54 1jum h ASN 176 Ca 0.16 -0.95 0.04 0.00 -0.56 0.00 0.00 56.30 54.99 1jum h ASN 176 Cb 1.03 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 38.10 1jum h ASN 176 CO -0.00 1.84 0.40 0.50 -1.06 0.00 0.00 177.43 179.11 1jum h LYS 177 N 0.08 0.68 0.33 0.81 1.63 -0.56 -1.28 116.57 118.25 1jum h LYS 177 Ca -0.40 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.34 1jum h LYS 177 Cb 2.05 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.53 1jum h LYS 177 CO 0.11 0.45 -0.16 0.35 -3.45 0.00 0.00 179.45 176.76 1jum h PHE 178 N 0.70 -0.41 -1.50 1.91 3.57 -0.73 0.62 116.94 121.10 1jum h PHE 178 Ca 0.25 -0.01 0.46 0.00 3.53 0.00 0.00 57.97 62.20 1jum h PHE 178 Cb 0.11 0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 1jum h PHE 178 CO -0.00 -0.08 1.03 0.77 -2.23 0.00 0.00 178.31 177.80 1jum h SER 179 N -0.95 0.13 0.00 0.41 0.02 -0.63 0.21 113.55 112.75 1jum h SER 179 Ca -0.04 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jum h SER 179 Cb 0.51 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1jum h SER 179 CO 0.07 -0.08 -0.15 -0.61 -1.14 0.00 0.00 176.83 174.92 1jum h GLN 180 N 0.06 0.00 -1.00 3.45 4.15 -1.18 -3.01 115.11 117.59 1jum h GLN 180 Ca 0.81 0.00 0.17 0.00 0.77 0.00 0.00 58.65 60.40 1jum h GLN 180 Cb 2.86 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 30.38 1jum h GLN 180 CO -0.21 0.00 -0.33 -0.89 -1.93 0.00 0.00 178.83 175.47 1jum n ILE 181 N -4.57 -0.48 0.06 2.39 2.08 0.20 -0.64 119.36 118.39 1jum n ILE 181 Ca -0.02 2.31 -0.11 0.00 0.56 0.00 0.00 62.75 65.49 1jum n ILE 181 Cb 0.08 -3.11 -0.05 0.00 -0.75 0.00 0.00 39.64 35.81 1jum n ILE 181 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1jum h PHE 182 N 0.00 -0.50 -0.75 1.39 3.57 -0.78 -2.98 116.94 116.90 1jum h PHE 182 Ca 0.40 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.87 1jum h PHE 182 Cb 0.65 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1jum h PHE 182 CO -0.83 -0.27 0.30 -0.07 -2.23 0.00 0.00 178.31 175.20 1jum h LEU 183 N -0.31 1.03 -1.77 0.59 3.38 -0.73 -1.11 115.31 116.39 1jum h LEU 183 Ca 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1jum h LEU 183 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jum h LEU 183 CO -0.17 0.92 0.00 0.59 0.09 0.00 0.00 178.44 179.86 1jum n ASN 184 N -4.28 2.21 -0.01 -0.43 3.02 -0.27 -2.00 115.26 113.51 1jum n ASN 184 Ca 0.07 -1.74 -0.01 0.00 -0.03 0.00 0.00 54.58 52.87 1jum n ASN 184 Cb 0.19 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 1jum n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jum n GLY 185 N 0.45 -0.05 3.87 7.41 0.00 -0.42 -5.01 105.19 111.43 1jum n GLY 185 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1jum n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jum s LEU 186 N -4.24 3.51 0.00 0.99 1.43 -0.85 -5.13 118.68 114.39 1jum s LEU 186 Ca -0.01 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1jum s LEU 186 Cb 0.00 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1jum s LEU 186 CO 0.04 -0.67 0.00 -1.20 0.23 0.00 0.00 176.35 174.76