#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juq n SER 205 N 0.00 1.37 0.00 1.61 3.41 -1.26 -3.53 113.62 115.23 1juq n SER 205 Ca 0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1juq n SER 205 Cb 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1juq n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1juq n ALA 2 N 3.53 0.00 -3.16 7.33 0.00 -1.26 -2.22 120.51 124.73 1juq n ALA 2 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1juq n ALA 2 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1juq n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1juq n GLU 3 N 0.00 1.58 -0.25 0.00 -0.58 -1.23 -4.94 120.64 115.22 1juq n GLU 3 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1juq n GLU 3 Cb 0.00 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.25 1juq n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1juq h ALA 4 N 0.50 1.82 -0.38 0.62 0.00 -1.95 -2.32 119.26 117.54 1juq h ALA 4 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1juq h ALA 4 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1juq h ALA 4 CO 0.00 -0.03 0.20 0.93 0.00 0.00 0.00 179.25 180.34 1juq h GLU 5 N 0.70 0.54 -0.58 0.00 3.07 -1.96 -0.14 114.58 116.22 1juq h GLU 5 Ca 0.42 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.12 1juq h GLU 5 Cb 0.64 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1juq h GLU 5 CO -0.18 0.46 -0.01 0.78 -1.40 0.00 0.00 179.01 178.66 1juq h GLY 6 N 0.48 1.11 0.91 -3.84 0.00 -0.98 -1.61 103.07 99.16 1juq h GLY 6 Ca 0.13 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1juq h GLY 6 CO -0.02 0.76 0.05 0.83 0.00 0.00 0.00 176.54 178.16 1juq h GLU 7 N 0.92 0.15 -0.13 4.80 5.08 -1.21 -1.25 114.58 122.95 1juq h GLU 7 Ca 0.16 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1juq h GLU 7 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1juq h GLU 7 CO 0.03 0.20 0.06 1.03 -1.00 0.00 0.00 179.01 179.33 1juq h SER 8 N 0.06 0.17 -0.36 1.42 0.87 -0.98 0.54 113.55 115.27 1juq h SER 8 Ca 0.04 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1juq h SER 8 Cb 0.10 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1juq h SER 8 CO -0.01 0.25 0.23 -0.07 -0.53 0.00 0.00 176.83 176.70 1juq h LEU 9 N 0.08 0.41 -1.30 2.23 -0.00 -1.24 -0.66 115.31 114.83 1juq h LEU 9 Ca 0.04 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.85 1juq h LEU 9 Cb 0.13 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 1juq h LEU 9 CO -0.01 0.32 -0.01 -0.08 -0.00 0.00 0.00 178.44 178.66 1juq h GLU 10 N 0.47 0.45 -0.66 1.13 4.57 -1.09 0.10 114.58 119.56 1juq h GLU 10 Ca 0.13 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1juq h GLU 10 Cb -0.03 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1juq h GLU 10 CO -0.03 0.49 0.34 1.03 -1.18 0.00 0.00 179.01 179.66 1juq h SER 11 N 0.44 0.84 -0.47 1.04 0.87 -0.18 -0.06 113.55 116.04 1juq h SER 11 Ca 0.10 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1juq h SER 11 Cb 0.31 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1juq h SER 11 CO 0.01 0.72 0.03 -0.50 -0.53 0.00 0.00 176.83 176.56 1juq h TRP 12 N 0.90 0.87 -0.29 2.24 4.06 -0.23 -2.87 115.95 120.64 1juq h TRP 12 Ca 0.23 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.99 1juq h TRP 12 Cb 0.08 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 1juq h TRP 12 CO -0.00 0.82 -0.06 1.25 -3.56 0.00 0.00 178.44 176.90 1juq h LEU 13 N 0.66 0.43 -0.26 -4.49 5.85 -0.63 -1.48 115.31 115.39 1juq h LEU 13 Ca 0.14 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1juq h LEU 13 Cb 0.45 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1juq h LEU 13 CO 0.02 0.53 0.01 0.78 -0.34 0.00 0.00 178.44 179.44 1juq h ASN 14 N 0.43 -0.08 -0.18 1.25 4.21 -0.80 0.37 115.58 120.79 1juq h ASN 14 Ca 0.09 0.05 -0.09 0.00 1.21 0.00 0.00 56.30 57.56 1juq h ASN 14 Cb 0.37 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 1juq h ASN 14 CO 0.02 -0.01 -0.17 0.11 -1.29 0.00 0.00 177.43 176.09 1juq h LYS 15 N 0.09 0.60 0.00 0.81 1.57 -1.29 0.15 116.57 118.50 1juq h LYS 15 Ca 0.12 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1juq h LYS 15 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1juq h LYS 15 CO -0.20 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 1juq h ALA 16 N 1.28 1.00 0.00 3.86 0.00 -0.62 -3.24 119.26 121.53 1juq h ALA 16 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1juq h ALA 16 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1juq h ALA 16 CO 0.04 0.00 -0.08 0.25 0.00 0.00 0.00 179.25 179.46 1juq n THR 17 N -2.52 0.96 -1.68 0.00 -2.24 0.06 -4.72 114.28 104.14 1juq n THR 17 Ca 0.03 -1.08 -0.48 0.00 -2.27 0.00 0.00 64.05 60.25 1juq n THR 17 Cb 0.37 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1juq n THR 17 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1juq n ASN 18 N -0.64 3.30 0.12 3.42 4.05 0.50 -4.45 115.26 121.56 1juq n ASN 18 Ca 0.05 1.00 0.10 0.00 0.45 0.00 0.00 54.58 56.18 1juq n ASN 18 Cb 0.49 -1.37 0.46 0.00 1.23 0.00 0.00 39.78 40.60 1juq n ASN 18 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1juq n PRO 19 N 5.82 0.13 0.11 1.20 -0.02 -1.26 -1.62 135.00 139.36 1juq n PRO 19 Ca 0.21 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1juq n PRO 19 Cb 0.28 -1.84 0.30 0.00 -0.02 0.00 0.00 33.50 32.22 1juq n PRO 19 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1juq h SER 20 N 0.00 0.00 -2.29 2.55 4.64 -1.98 -3.46 113.55 113.01 1juq h SER 20 Ca 0.00 -0.04 -0.61 0.00 -0.47 0.00 0.00 61.79 60.67 1juq h SER 20 Cb 0.13 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.29 1juq h SER 20 CO 0.00 0.02 0.55 0.59 -0.87 0.00 0.00 176.83 177.12 1juq n ASN 21 N -2.39 2.34 0.08 4.97 5.03 -0.64 -4.88 115.26 119.78 1juq n ASN 21 Ca 0.05 1.13 -0.07 0.00 0.87 0.00 0.00 54.58 56.56 1juq n ASN 21 Cb 0.45 -1.35 -0.05 0.00 -1.02 0.00 0.00 39.78 37.82 1juq n ASN 21 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1juq h ARG 22 N 4.41 0.05 -3.92 3.52 2.47 -1.90 -3.47 114.38 115.54 1juq h ARG 22 Ca -0.45 -0.06 -0.16 0.00 -1.26 0.00 0.00 59.98 58.05 1juq h ARG 22 Cb 1.30 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.55 1juq h ARG 22 CO 0.77 0.93 -0.19 -0.65 0.56 0.00 0.00 179.97 181.40 1juq s GLN 23 N -2.95 1.67 0.33 0.04 -0.21 -1.26 -5.12 119.66 112.16 1juq s GLN 23 Ca -0.00 -1.50 -0.29 0.00 0.02 0.00 0.00 55.36 53.59 1juq s GLN 23 Cb 0.10 0.44 -0.11 0.00 1.00 0.00 0.00 33.01 34.44 1juq s GLN 23 CO 0.81 -0.69 1.55 -0.85 -2.12 0.00 0.00 175.29 174.00 1juq n GLU 24 N -0.44 2.70 -3.47 2.91 0.00 -1.26 -4.92 120.64 116.16 1juq n GLU 24 Ca -0.00 0.95 -0.43 0.00 0.00 0.00 0.00 57.16 57.68 1juq n GLU 24 Cb 0.62 -2.72 -0.06 0.00 0.00 0.00 0.00 31.44 29.29 1juq n GLU 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1juq s ASP 25 N 0.22 6.10 0.49 -1.84 -1.08 -1.26 -4.94 116.67 114.36 1juq s ASP 25 Ca 0.59 -2.46 0.16 0.00 -0.52 0.00 0.00 52.55 50.32 1juq s ASP 25 Cb -0.48 -2.08 1.16 0.00 -1.46 0.00 0.00 42.92 40.05 1juq s ASP 25 CO 0.55 -0.58 2.07 -0.50 0.52 0.00 0.00 175.17 177.23 1juq h TRP 26 N 7.87 0.00 -0.21 -5.34 4.06 -1.96 -0.58 115.95 119.80 1juq h TRP 26 Ca -0.04 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.94 1juq h TRP 26 Cb 1.03 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.17 1juq h TRP 26 CO 0.84 0.10 0.04 1.49 -3.56 0.00 0.00 178.44 177.34 1juq h GLU 27 N 0.00 0.12 -0.18 0.49 4.81 -1.98 0.47 114.58 118.31 1juq h GLU 27 Ca -0.00 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1juq h GLU 27 Cb 0.17 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1juq h GLU 27 CO 0.01 0.08 -0.57 1.88 -0.73 0.00 0.00 179.01 179.69 1juq h TYR 28 N 0.13 0.72 0.15 0.92 0.05 -1.79 0.17 116.97 117.32 1juq h TYR 28 Ca 0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1juq h TYR 28 Cb 0.08 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1juq h TYR 28 CO -0.14 1.00 -0.07 0.82 -1.05 0.00 0.00 178.16 178.72 1juq h ILE 29 N 0.43 0.96 -0.39 -2.88 2.04 -0.66 0.10 117.51 117.11 1juq h ILE 29 Ca 0.00 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 1juq h ILE 29 Cb 1.12 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1juq h ILE 29 CO 0.11 0.11 -0.13 0.40 0.00 0.00 0.00 178.15 178.64 1juq h ILE 30 N -0.42 1.26 -0.73 -0.67 1.08 -0.12 -2.14 117.51 115.76 1juq h ILE 30 Ca -0.02 -1.17 0.05 0.00 -0.39 0.00 0.00 64.86 63.34 1juq h ILE 30 Cb 0.34 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 1juq h ILE 30 CO 0.03 0.39 0.43 1.23 -0.69 0.00 0.00 178.15 179.55 1juq h GLY 31 N 0.97 1.08 0.97 5.37 0.00 -0.40 0.17 103.07 111.23 1juq h GLY 31 Ca 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1juq h GLY 31 CO 0.04 0.21 0.21 -2.75 0.00 0.00 0.00 176.54 174.25 1juq h PHE 32 N 0.80 0.71 -0.97 5.60 3.57 -0.60 -1.47 116.94 124.58 1juq h PHE 32 Ca 0.32 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1juq h PHE 32 Cb 0.15 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1juq h PHE 32 CO -0.06 0.58 0.63 0.00 -2.23 0.00 0.00 178.31 177.24 1juq h ASP 34 N 1.20 0.32 -0.48 0.00 3.32 -0.16 -2.61 116.42 118.01 1juq h ASP 34 Ca 0.40 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 1juq h ASP 34 Cb 0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1juq h ASP 34 CO -0.14 0.61 0.01 1.56 -1.72 0.00 0.00 179.24 179.57 1juq h GLN 35 N 0.28 0.83 -0.67 3.56 1.08 -0.55 -2.74 115.11 116.92 1juq h GLN 35 Ca 0.04 -0.26 0.01 0.00 -1.45 0.00 0.00 58.65 56.99 1juq h GLN 35 Cb 0.67 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 1juq h GLN 35 CO 0.05 0.87 0.44 0.82 -0.95 0.00 0.00 178.83 180.06 1juq h ILE 36 N 0.69 1.15 0.00 2.54 2.04 -1.21 -0.83 117.51 121.90 1juq h ILE 36 Ca 0.14 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1juq h ILE 36 Cb 0.49 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1juq h ILE 36 CO 0.02 0.16 -0.09 0.78 0.00 0.00 0.00 178.15 179.02 1juq h ASN 37 N 0.88 0.00 0.29 1.72 2.35 -1.32 -2.83 115.58 116.67 1juq h ASN 37 Ca 0.25 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.67 1juq h ASN 37 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1juq h ASN 37 CO -0.06 0.09 -1.79 0.11 -1.65 0.00 0.00 177.43 174.13 1juq h LYS 38 N 0.00 0.24 -6.48 0.81 1.57 -1.09 -3.47 116.57 108.15 1juq h LYS 38 Ca -0.00 -0.41 -0.53 0.00 -1.87 0.00 0.00 60.65 57.84 1juq h LYS 38 Cb 0.36 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1juq h LYS 38 CO 0.01 1.08 0.54 -1.21 -0.57 0.00 0.00 179.45 179.31 1juq s GLU 39 N -2.58 4.44 0.27 3.15 0.41 -0.38 -4.94 118.70 119.07 1juq s GLU 39 Ca -0.15 1.74 -0.01 0.00 -0.41 0.00 0.00 54.97 56.14 1juq s GLU 39 Cb 0.07 -3.36 0.48 0.00 -1.78 0.00 0.00 34.13 29.54 1juq s GLU 39 CO 0.82 -0.24 1.83 1.25 -0.49 0.00 0.00 175.26 178.43 1juq h LEU 40 N 6.79 0.85 -3.24 1.80 5.85 -1.91 -1.50 115.31 123.95 1juq h LEU 40 Ca -0.42 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1juq h LEU 40 Cb 1.21 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1juq h LEU 40 CO 0.81 0.47 -0.01 -0.62 -0.34 0.00 0.00 178.44 178.75 1juq n GLU 41 N -4.65 2.53 -0.18 1.25 1.02 -1.26 -4.75 120.64 114.60 1juq n GLU 41 Ca 0.17 -2.87 -0.01 0.00 -0.02 0.00 0.00 57.16 54.43 1juq n GLU 41 Cb 0.30 -1.80 0.09 0.00 -0.02 0.00 0.00 31.44 30.02 1juq n GLU 41 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1juq h GLY 42 N 1.44 0.73 0.96 0.62 0.00 -1.46 -2.39 103.07 102.97 1juq h GLY 42 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1juq h GLY 42 CO 0.22 -0.07 0.09 -2.55 0.00 0.00 0.00 176.54 174.23 1juq h PRO 43 N 0.29 0.21 -0.70 4.80 0.11 -1.80 0.14 132.00 135.04 1juq h PRO 43 Ca 0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1juq h PRO 43 Cb 0.39 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 1juq h PRO 43 CO -0.35 0.19 0.44 1.96 -0.21 0.00 0.00 178.00 180.03 1juq h GLN 44 N 0.17 0.94 0.10 1.05 7.50 -1.87 -1.73 115.11 121.27 1juq h GLN 44 Ca 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 1juq h GLN 44 Cb 0.04 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.36 1juq h GLN 44 CO -0.01 0.65 -0.05 0.82 -1.50 0.00 0.00 178.83 178.74 1juq h ILE 45 N 0.96 1.12 -0.63 2.54 2.04 -1.36 -3.29 117.51 118.88 1juq h ILE 45 Ca 0.25 -1.12 0.12 0.00 1.00 0.00 0.00 64.86 65.11 1juq h ILE 45 Cb -0.06 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.73 1juq h ILE 45 CO -0.05 0.26 0.17 0.00 0.00 0.00 0.00 178.15 178.53 1juq h ALA 46 N 0.10 0.79 -0.09 1.87 0.00 -0.60 -1.34 119.26 119.99 1juq h ALA 46 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1juq h ALA 46 Cb 0.53 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1juq h ALA 46 CO 0.02 -0.27 -0.08 -0.39 0.00 0.00 0.00 179.25 178.53 1juq h VAL 47 N 0.31 1.12 -0.03 0.00 -1.51 -1.43 0.85 116.25 115.57 1juq h VAL 47 Ca 0.33 -0.50 -0.24 0.00 -1.23 0.00 0.00 66.70 65.06 1juq h VAL 47 Cb 0.49 1.15 0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1juq h VAL 47 CO -0.39 0.15 -0.96 0.03 -1.23 0.00 0.00 177.57 175.17 1juq h ARG 48 N 0.12 0.61 -0.53 5.19 3.08 -1.36 -0.89 114.38 120.62 1juq h ARG 48 Ca 0.03 -0.62 -0.11 0.00 0.07 0.00 0.00 59.98 59.34 1juq h ARG 48 Cb 0.23 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1juq h ARG 48 CO 0.01 1.23 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.95 1juq h LEU 49 N 0.36 1.01 -0.05 3.04 3.38 -0.75 -2.08 115.31 120.22 1juq h LEU 49 Ca -0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1juq h LEU 49 Cb 1.60 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1juq h LEU 49 CO 0.18 1.12 0.00 -0.07 0.09 0.00 0.00 178.44 179.77 1juq h LEU 50 N 0.89 0.08 -0.63 1.67 3.38 -0.82 -1.37 115.31 118.51 1juq h LEU 50 Ca 0.14 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1juq h LEU 50 Cb 0.68 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1juq h LEU 50 CO 0.05 0.35 0.12 0.00 0.09 0.00 0.00 178.44 179.05 1juq h ALA 51 N 0.73 0.74 -0.61 1.53 0.00 -1.08 0.22 119.26 120.79 1juq h ALA 51 Ca 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1juq h ALA 51 Cb 0.31 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1juq h ALA 51 CO 0.00 -0.32 0.21 1.25 0.00 0.00 0.00 179.25 180.39 1juq h HIS 52 N 0.24 0.97 -0.64 0.00 -0.00 -1.14 -1.84 115.15 112.74 1juq h HIS 52 Ca 0.33 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.53 1juq h HIS 52 Cb 0.52 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1juq h HIS 52 CO -0.27 0.79 0.06 0.87 -0.00 0.00 0.00 177.93 179.38 1juq h LYS 53 N 0.87 1.08 0.00 5.26 1.79 -0.09 -2.46 116.57 123.01 1juq h LYS 53 Ca 0.20 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1juq h LYS 53 Cb 0.26 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1juq h LYS 53 CO -0.01 1.02 -0.09 0.82 -1.08 0.00 0.00 179.45 180.11 1juq h ILE 54 N 1.00 0.85 -0.26 1.86 2.04 -0.26 -1.17 117.51 121.57 1juq h ILE 54 Ca 0.19 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1juq h ILE 54 Cb 0.49 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1juq h ILE 54 CO 0.02 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.26 1juq n GLN 55 N -4.12 1.79 -1.87 2.37 6.02 -0.72 -4.82 117.38 116.04 1juq n GLN 55 Ca -0.03 -1.21 -0.40 0.00 -0.01 0.00 0.00 57.00 55.36 1juq n GLN 55 Cb 0.17 -1.35 0.01 0.00 1.02 0.00 0.00 30.24 30.09 1juq n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1juq s SER 56 N -1.33 5.98 0.40 1.08 0.15 -0.44 -4.89 113.70 114.66 1juq s SER 56 Ca 0.29 2.85 0.28 0.00 0.70 0.00 0.00 55.95 60.07 1juq s SER 56 Cb 0.16 -2.65 1.04 0.00 -1.71 0.00 0.00 66.02 62.85 1juq s SER 56 CO 0.22 -1.09 1.82 1.55 1.20 0.00 0.00 173.24 176.94 1juq h PRO 57 N 2.41 0.00 -5.86 5.44 0.13 -1.92 -3.41 132.00 128.79 1juq h PRO 57 Ca -0.51 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.01 1juq h PRO 57 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 1juq h PRO 57 CO 0.61 0.00 0.41 -1.14 -0.23 0.00 0.00 178.00 177.65 1juq s GLN 58 N -3.43 3.55 0.16 0.86 -0.44 -1.26 -4.97 119.66 114.13 1juq s GLN 58 Ca 0.04 0.09 -0.22 0.00 -2.50 0.00 0.00 55.36 52.77 1juq s GLN 58 Cb 0.09 -3.89 0.06 0.00 -1.64 0.00 0.00 33.01 27.62 1juq s GLN 58 CO 0.52 -1.05 1.61 1.49 0.50 0.00 0.00 175.29 178.36 1juq h GLU 59 N 8.83 -0.23 -0.35 1.67 4.81 -1.99 -2.36 114.58 124.95 1juq h GLU 59 Ca -0.25 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1juq h GLU 59 Cb 1.09 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1juq h GLU 59 CO 0.96 -0.15 0.15 2.35 -0.73 0.00 0.00 179.01 181.58 1juq h TRP 60 N -0.24 0.48 -0.46 0.92 -0.00 -1.96 0.19 115.95 114.89 1juq h TRP 60 Ca 0.17 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.89 58.97 1juq h TRP 60 Cb 0.50 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.49 1juq h TRP 60 CO -0.48 0.38 -0.02 1.49 -0.00 0.00 0.00 178.44 179.81 1juq h GLU 61 N 0.49 0.82 -0.09 2.65 4.81 -1.66 -2.13 114.58 119.47 1juq h GLU 61 Ca 0.12 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1juq h GLU 61 Cb 0.09 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1juq h GLU 61 CO -0.01 0.89 -0.05 0.00 -0.73 0.00 0.00 179.01 179.11 1juq h ALA 62 N 0.90 0.13 -0.22 2.92 0.00 -0.92 -2.20 119.26 119.88 1juq h ALA 62 Ca 0.13 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1juq h ALA 62 Cb 0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1juq h ALA 62 CO 0.03 -0.10 -0.01 -0.07 0.00 0.00 0.00 179.25 179.10 1juq h LEU 63 N -0.18 -0.09 -1.04 0.00 3.38 -0.64 -0.29 115.31 116.44 1juq h LEU 63 Ca 0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1juq h LEU 63 Cb 0.51 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1juq h LEU 63 CO 0.01 -0.02 0.64 1.56 0.09 0.00 0.00 178.44 180.73 1juq h GLN 64 N 0.06 1.18 -0.71 1.13 4.20 -1.41 -0.68 115.11 118.88 1juq h GLN 64 Ca 0.10 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1juq h GLN 64 Cb 0.13 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1juq h GLN 64 CO -0.18 0.78 0.45 0.00 -0.67 0.00 0.00 178.83 179.22 1juq h ALA 65 N 1.44 1.45 -0.40 3.87 0.00 -0.65 0.12 119.26 125.10 1juq h ALA 65 Ca 0.40 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1juq h ALA 65 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1juq h ALA 65 CO -0.14 0.49 -0.13 -0.07 0.00 0.00 0.00 179.25 179.40 1juq h LEU 66 N 0.98 0.70 -0.50 0.00 3.38 0.36 -0.22 115.31 120.01 1juq h LEU 66 Ca 0.26 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1juq h LEU 66 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1juq h LEU 66 CO -0.05 0.85 -0.18 0.74 0.09 0.00 0.00 178.44 179.89 1juq h THR 67 N 0.64 1.27 -0.23 0.22 2.02 -0.13 -1.54 112.91 115.16 1juq h THR 67 Ca 0.11 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1juq h THR 67 Cb 0.59 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1juq h THR 67 CO 0.04 0.47 0.14 0.58 0.37 0.00 0.00 175.52 177.11 1juq h VAL 68 N 0.86 1.10 -0.65 3.16 2.07 -0.36 -0.96 116.25 121.46 1juq h VAL 68 Ca 0.12 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1juq h VAL 68 Cb 0.75 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 1juq h VAL 68 CO 0.06 0.09 0.22 0.25 0.02 0.00 0.00 177.57 178.22 1juq h LEU 69 N 0.28 0.18 -0.36 2.57 5.85 -0.85 0.84 115.31 123.82 1juq h LEU 69 Ca 0.08 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1juq h LEU 69 Cb 0.03 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1juq h LEU 69 CO -0.01 0.09 0.22 -0.33 -0.34 0.00 0.00 178.44 178.07 1juq h GLU 70 N 0.38 0.49 -0.65 1.25 5.08 -0.76 -2.70 114.58 117.67 1juq h GLU 70 Ca 0.34 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1juq h GLU 70 Cb 0.48 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1juq h GLU 70 CO -0.36 0.36 0.38 0.00 -1.00 0.00 0.00 179.01 178.39 1juq h ALA 71 N 1.10 0.86 0.00 3.43 0.00 0.14 -2.92 119.26 121.86 1juq h ALA 71 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1juq h ALA 71 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1juq h ALA 71 CO -0.02 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1juq n LYS 74 N 1.52 0.00 -0.03 0.00 5.02 -1.10 0.11 118.16 123.67 1juq n LYS 74 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1juq n LYS 74 Cb 0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.91 1juq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1juq n ASN 75 N 0.00 0.58 -1.23 4.39 3.02 0.29 -4.64 115.26 117.67 1juq n ASN 75 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1juq n ASN 75 Cb 0.00 1.59 0.29 0.00 -0.61 0.00 0.00 39.78 41.06 1juq n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1juq n GLY 77 N 1.21 -1.07 0.35 0.00 0.00 -1.26 -3.19 105.19 101.23 1juq n GLY 77 Ca 0.22 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 45.26 1juq n GLY 77 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1juq h ARG 78 N 0.00 0.81 -0.41 1.61 2.47 -1.97 -0.67 114.38 116.22 1juq h ARG 78 Ca 0.00 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1juq h ARG 78 Cb 0.14 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1juq h ARG 78 CO 0.00 0.54 0.28 0.07 0.56 0.00 0.00 179.97 181.42 1juq h ARG 79 N 0.84 0.33 0.09 0.04 0.11 -2.01 0.57 114.38 114.35 1juq h ARG 79 Ca 0.30 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 60.22 1juq h ARG 79 Cb 0.14 -0.07 0.02 0.00 1.11 0.00 0.00 29.97 31.16 1juq h ARG 79 CO -0.09 0.22 -0.61 0.35 0.10 0.00 0.00 179.97 179.94 1juq h PHE 80 N 0.34 0.45 -0.88 4.08 3.57 -1.16 -3.28 116.94 120.06 1juq h PHE 80 Ca 0.18 -0.31 0.15 0.00 3.53 0.00 0.00 57.97 61.52 1juq h PHE 80 Cb 0.27 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1juq h PHE 80 CO -0.00 1.21 0.57 0.45 -2.23 0.00 0.00 178.31 178.30 1juq h HIS 81 N -0.44 0.77 -0.48 0.41 3.86 0.07 -0.82 115.15 118.52 1juq h HIS 81 Ca -0.10 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1juq h HIS 81 Cb 1.44 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.65 1juq h HIS 81 CO 0.20 0.28 0.08 -0.91 0.86 0.00 0.00 177.93 178.44 1juq h ASN 82 N 0.65 0.70 0.27 2.45 -0.26 0.02 -1.08 115.58 118.34 1juq h ASN 82 Ca 0.44 -0.13 -0.23 0.00 -0.56 0.00 0.00 56.30 55.82 1juq h ASN 82 Cb 0.76 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1juq h ASN 82 CO -0.20 0.73 -0.93 -0.33 -1.06 0.00 0.00 177.43 175.64 1juq h GLU 83 N 0.72 0.46 -0.29 0.81 4.39 -1.23 -3.09 114.58 116.35 1juq h GLU 83 Ca 0.15 -0.47 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1juq h GLU 83 Cb 0.33 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1juq h GLU 83 CO 0.00 1.12 -0.13 0.28 -1.16 0.00 0.00 179.01 179.12 1juq h VAL 84 N 0.26 1.23 0.00 3.13 2.07 -1.24 -2.83 116.25 118.87 1juq h VAL 84 Ca -0.08 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1juq h VAL 84 Cb 1.56 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1juq h VAL 84 CO 0.16 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1juq n GLY 85 N -0.61 1.27 3.44 2.17 0.00 -0.42 -4.26 105.19 106.78 1juq n GLY 85 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1juq n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1juq s LYS 86 N -0.86 2.27 0.49 1.61 1.02 -1.07 -4.50 119.74 118.70 1juq s LYS 86 Ca 0.00 -0.85 0.19 0.00 0.02 0.00 0.00 55.97 55.33 1juq s LYS 86 Cb 0.00 -2.25 1.24 0.00 -0.52 0.00 0.00 37.83 36.30 1juq s LYS 86 CO 0.00 0.58 2.03 0.74 -0.92 0.00 0.00 175.35 177.78 1juq h PHE 87 N 5.04 0.15 -0.84 3.18 0.04 -1.89 0.17 116.94 122.80 1juq h PHE 87 Ca -0.46 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.46 1juq h PHE 87 Cb 1.15 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 39.19 1juq h PHE 87 CO 0.49 0.07 0.55 -0.09 -0.60 0.00 0.00 178.31 178.73 1juq h ARG 88 N 0.14 0.56 0.00 1.51 2.43 -1.94 0.22 114.38 117.30 1juq h ARG 88 Ca 0.20 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 1juq h ARG 88 Cb 0.62 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1juq h ARG 88 CO -0.03 0.37 -1.09 0.34 -1.51 0.00 0.00 179.97 178.05 1juq n PHE 89 N -4.53 0.99 -0.33 2.20 7.35 -0.14 -4.34 117.46 118.66 1juq n PHE 89 Ca 0.16 0.43 0.14 0.00 -0.76 0.00 0.00 57.45 57.42 1juq n PHE 89 Cb 0.50 -1.02 0.36 0.00 0.35 0.00 0.00 39.48 39.67 1juq n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1juq h LEU 90 N -1.00 0.71 -2.07 -2.13 3.38 -0.79 -0.39 115.31 113.01 1juq h LEU 90 Ca -0.27 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1juq h LEU 90 Cb 1.11 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1juq h LEU 90 CO -0.16 0.26 -0.04 0.78 0.09 0.00 0.00 178.44 179.37 1juq h ASN 91 N 0.69 0.00 0.39 -0.43 2.35 -0.77 -1.16 115.58 116.65 1juq h ASN 91 Ca 0.56 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.15 1juq h ASN 91 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1juq h ASN 91 CO -0.33 0.04 -0.66 -0.33 -1.65 0.00 0.00 177.43 174.49 1juq h GLU 92 N 0.00 0.25 -0.02 0.81 4.39 -1.26 -1.91 114.58 116.85 1juq h GLU 92 Ca -0.00 -0.19 -0.17 0.00 0.34 0.00 0.00 59.36 59.34 1juq h GLU 92 Cb 0.07 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1juq h GLU 92 CO 0.00 0.82 -0.76 -0.07 -1.16 0.00 0.00 179.01 177.84 1juq h LEU 93 N 0.18 0.19 -0.94 1.33 3.38 -1.23 -2.88 115.31 115.33 1juq h LEU 93 Ca -0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1juq h LEU 93 Cb 1.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1juq h LEU 93 CO 0.10 0.87 -0.31 0.40 0.09 0.00 0.00 178.44 179.59 1juq h ILE 94 N 0.10 1.28 -0.05 1.22 2.04 -1.05 -2.46 117.51 118.58 1juq h ILE 94 Ca -0.02 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 1juq h ILE 94 Cb 1.34 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1juq h ILE 94 CO 0.11 0.42 -0.27 0.11 0.00 0.00 0.00 178.15 178.52 1juq h LYS 95 N 0.34 0.08 -0.29 2.37 1.57 -1.17 -1.05 116.57 118.42 1juq h LYS 95 Ca 0.04 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1juq h LYS 95 Cb 0.72 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1juq h LYS 95 CO 0.06 0.35 -0.25 0.28 -0.57 0.00 0.00 179.45 179.31 1juq h VAL 96 N 0.07 1.27 0.00 0.50 2.07 -1.24 0.65 116.25 119.58 1juq h VAL 96 Ca 0.01 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1juq h VAL 96 Cb 0.52 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1juq h VAL 96 CO 0.04 0.42 -1.15 1.33 0.02 0.00 0.00 177.57 178.22 1juq n VAL 97 N -4.11 0.00 -2.96 2.57 0.24 -1.01 -3.34 118.33 109.71 1juq n VAL 97 Ca -0.00 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.75 1juq n VAL 97 Cb 0.42 0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 1juq n VAL 97 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1juq s SER 98 N -3.18 7.23 0.40 -1.34 0.01 -0.43 -4.61 113.70 111.78 1juq s SER 98 Ca 0.04 1.47 0.11 0.00 1.31 0.00 0.00 55.95 58.87 1juq s SER 98 Cb 0.14 -2.48 0.84 0.00 0.21 0.00 0.00 66.02 64.74 1juq s SER 98 CO 0.80 -0.00 1.94 -0.65 0.41 0.00 0.00 173.24 175.74 1juq h PRO 99 N 5.72 0.18 0.00 12.44 0.11 -1.90 0.39 132.00 148.94 1juq h PRO 99 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1juq h PRO 99 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1juq h PRO 99 CO 0.71 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 180.46 1juq n LYS 100 N -4.29 0.18 0.00 1.05 5.02 -1.26 -4.41 118.16 114.45 1juq n LYS 100 Ca -0.01 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1juq n LYS 100 Cb 0.26 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1juq n LYS 100 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1juq n TYR 101 N -2.28 0.00 0.79 2.13 4.02 -0.66 -5.00 117.16 116.17 1juq n TYR 101 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 1juq n TYR 101 Cb 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.36 1juq n TYR 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1juq n LEU 102 N 0.00 0.79 -0.36 7.72 4.77 0.21 -4.73 117.00 125.41 1juq n LEU 102 Ca 0.00 -0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 55.51 1juq n LEU 102 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1juq n LEU 102 CO 0.00 0.20 0.46 0.61 -1.33 0.00 0.00 177.39 177.33 1juq n GLY 103 N 1.45 -2.15 0.16 -0.72 0.00 0.13 -1.28 105.19 102.79 1juq n GLY 103 Ca 0.02 1.04 0.10 0.00 0.00 0.00 0.00 46.02 47.18 1juq n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1juq n ASP 104 N -5.18 0.49 -0.15 1.61 8.00 -1.26 -1.35 116.55 118.71 1juq n ASP 104 Ca 0.04 0.70 0.08 0.00 0.71 0.00 0.00 54.79 56.33 1juq n ASP 104 Cb 0.27 -0.73 0.13 0.00 -0.02 0.00 0.00 41.12 40.77 1juq n ASP 104 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1juq n ARG 105 N -2.19 1.71 -4.46 -1.24 1.74 -0.40 -5.01 116.66 106.80 1juq n ARG 105 Ca -0.01 -2.44 -0.33 0.00 -0.77 0.00 0.00 57.85 54.30 1juq n ARG 105 Cb 0.12 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1juq n ARG 105 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1juq s VAL 106 N -2.58 3.74 0.32 1.55 1.01 -0.46 -5.02 120.40 118.97 1juq s VAL 106 Ca 0.28 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1juq s VAL 106 Cb 0.24 -2.62 -0.12 0.00 0.00 0.00 0.00 36.38 33.88 1juq s VAL 106 CO 0.03 0.43 1.33 -0.24 0.00 0.00 0.00 175.10 176.66 1juq n SER 107 N 1.66 2.84 0.13 3.32 2.88 -1.26 -4.86 113.62 118.33 1juq n SER 107 Ca -0.16 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.61 1juq n SER 107 Cb 0.53 -1.48 0.44 0.00 -0.75 0.00 0.00 64.21 62.94 1juq n SER 107 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1juq h GLU 108 N 2.98 0.22 -0.49 -1.46 4.39 -1.98 -1.33 114.58 116.91 1juq h GLU 108 Ca -0.46 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.16 1juq h GLU 108 Cb 1.28 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1juq h GLU 108 CO 0.66 0.31 0.14 -0.22 -1.16 0.00 0.00 179.01 178.74 1juq h LYS 109 N 0.22 0.77 -0.10 2.33 3.64 -1.99 -0.27 116.57 121.16 1juq h LYS 109 Ca 0.05 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1juq h LYS 109 Cb 0.27 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1juq h LYS 109 CO 0.01 0.73 0.01 0.28 -2.27 0.00 0.00 179.45 178.22 1juq h VAL 110 N 0.66 1.23 -0.87 2.00 2.07 -1.76 -2.09 116.25 117.50 1juq h VAL 110 Ca 0.16 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1juq h VAL 110 Cb 0.29 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1juq h VAL 110 CO -0.00 0.21 0.58 0.11 0.02 0.00 0.00 177.57 178.48 1juq h LYS 111 N -0.07 1.14 -0.48 1.57 1.57 -1.16 -0.52 116.57 118.62 1juq h LYS 111 Ca 0.03 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1juq h LYS 111 Cb 0.31 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1juq h LYS 111 CO 0.00 0.76 -0.02 1.15 -0.57 0.00 0.00 179.45 180.77 1juq h THR 112 N 1.18 1.26 -0.46 -0.16 2.02 -0.95 -1.59 112.91 114.20 1juq h THR 112 Ca 0.32 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1juq h THR 112 Cb -0.14 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1juq h THR 112 CO -0.07 0.38 0.11 0.50 0.37 0.00 0.00 175.52 176.82 1juq h LYS 113 N 0.72 0.74 -0.60 6.66 1.63 -0.86 -0.65 116.57 124.21 1juq h LYS 113 Ca 0.13 -0.18 0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1juq h LYS 113 Cb 0.54 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 1juq h LYS 113 CO 0.03 0.73 0.33 0.28 -3.45 0.00 0.00 179.45 177.37 1juq h VAL 114 N 0.62 0.98 -0.38 2.00 2.07 -0.93 -0.90 116.25 119.71 1juq h VAL 114 Ca 0.14 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1juq h VAL 114 Cb 0.32 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1juq h VAL 114 CO 0.00 0.11 0.10 0.40 0.02 0.00 0.00 177.57 178.20 1juq h ILE 115 N 0.63 1.22 -0.32 4.57 1.08 -1.00 -1.28 117.51 122.42 1juq h ILE 115 Ca 0.26 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1juq h ILE 115 Cb 0.14 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1juq h ILE 115 CO -0.16 0.26 0.12 -0.33 -0.69 0.00 0.00 178.15 177.35 1juq h GLU 116 N 0.47 0.25 0.41 2.37 5.08 -0.61 -1.57 114.58 120.98 1juq h GLU 116 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1juq h GLU 116 Cb 0.30 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1juq h GLU 116 CO 0.00 0.17 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.86 1juq h LEU 117 N 0.26 -0.61 -0.34 1.33 3.38 -1.03 0.15 115.31 118.44 1juq h LEU 117 Ca 0.14 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1juq h LEU 117 Cb 0.10 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1juq h LEU 117 CO -0.14 -0.39 -0.25 -0.07 0.09 0.00 0.00 178.44 177.68 1juq h LEU 118 N -0.62 -0.83 -0.20 1.67 4.07 -1.08 0.46 115.31 118.78 1juq h LEU 118 Ca -0.05 0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1juq h LEU 118 Cb 0.51 0.41 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1juq h LEU 118 CO 0.05 -0.28 0.10 0.22 -1.08 0.00 0.00 178.44 177.46 1juq h TYR 119 N -0.21 0.29 -0.43 1.13 3.20 -1.18 -2.26 116.97 117.51 1juq h TYR 119 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1juq h TYR 119 Cb 0.48 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1juq h TYR 119 CO -0.45 0.29 0.28 0.66 -1.64 0.00 0.00 178.16 177.30 1juq h SER 120 N 0.20 0.42 0.11 -2.11 4.64 -0.48 -0.69 113.55 115.64 1juq h SER 120 Ca 0.07 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 1juq h SER 120 Cb 0.11 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1juq h SER 120 CO -0.01 0.29 -0.42 -0.50 -0.87 0.00 0.00 176.83 175.33 1juq h TRP 121 N 0.49 0.47 0.00 4.77 6.55 -0.52 0.50 115.95 128.20 1juq h TRP 121 Ca 0.17 -0.13 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1juq h TRP 121 Cb 0.07 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.27 1juq h TRP 121 CO -0.00 0.75 0.00 0.25 -1.05 0.00 0.00 178.44 178.39 1juq n THR 122 N -4.02 0.00 0.00 1.49 -2.24 -0.27 -0.05 114.28 109.19 1juq n THR 122 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1juq n THR 122 Cb 0.50 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1juq n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1juq n ALA 124 N 0.51 0.00 -3.59 6.98 0.00 0.16 -4.48 120.51 120.10 1juq n ALA 124 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1juq n ALA 124 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1juq n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1juq n LEU 125 N 0.00 3.89 0.32 0.00 4.32 0.92 -4.88 117.00 121.57 1juq n LEU 125 Ca 0.00 -5.28 0.20 0.00 -0.02 0.00 0.00 56.01 50.91 1juq n LEU 125 Cb 0.00 -0.85 1.05 0.00 -1.62 0.00 0.00 43.42 42.00 1juq n LEU 125 CO 0.00 1.82 1.16 -0.65 -1.22 0.00 0.00 177.39 178.50 1juq h PRO 126 N 5.09 0.00 0.00 3.23 0.11 -1.81 -0.65 132.00 137.97 1juq h PRO 126 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1juq h PRO 126 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1juq h PRO 126 CO 0.85 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 180.13 1juq h GLU 127 N 0.00 0.00 -3.45 1.05 4.81 -1.95 -3.39 114.58 111.65 1juq h GLU 127 Ca 0.01 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.52 1juq h GLU 127 Cb 0.22 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 29.26 1juq h GLU 127 CO -0.00 0.00 -0.09 -1.21 -0.73 0.00 0.00 179.01 176.98 1juq s GLU 128 N -3.28 3.22 0.48 1.92 0.41 -0.25 -4.92 118.70 116.28 1juq s GLU 128 Ca 0.06 -3.01 0.14 0.00 -0.41 0.00 0.00 54.97 51.75 1juq s GLU 128 Cb 0.10 -4.00 1.11 0.00 -1.78 0.00 0.00 34.13 29.56 1juq s GLU 128 CO 0.53 -1.24 2.08 0.00 -0.49 0.00 0.00 175.26 176.14 1juq h ALA 129 N 6.49 1.85 0.00 5.21 0.00 -1.82 -2.65 119.26 128.35 1juq h ALA 129 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1juq h ALA 129 Cb 0.88 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1juq h ALA 129 CO 0.82 0.12 -0.25 0.87 0.00 0.00 0.00 179.25 180.81 1juq h LYS 130 N 0.10 0.00 -0.66 0.00 1.57 -1.91 -2.42 116.57 113.23 1juq h LYS 130 Ca 0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1juq h LYS 130 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1juq h LYS 130 CO 0.00 0.25 0.11 0.82 -0.57 0.00 0.00 179.45 180.06 1juq h ILE 131 N 0.00 1.26 -0.44 1.86 2.04 -1.72 0.22 117.51 120.74 1juq h ILE 131 Ca -0.00 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1juq h ILE 131 Cb 0.56 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1juq h ILE 131 CO 0.03 0.39 0.14 0.11 0.00 0.00 0.00 178.15 178.82 1juq h LYS 132 N 1.02 0.68 -0.13 2.37 1.57 -1.56 -0.23 116.57 120.28 1juq h LYS 132 Ca 0.20 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1juq h LYS 132 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1juq h LYS 132 CO 0.01 0.66 0.04 -0.44 -0.57 0.00 0.00 179.45 179.15 1juq h ASP 133 N 0.57 0.04 -0.60 0.86 3.32 -1.12 0.55 116.42 120.03 1juq h ASP 133 Ca 0.14 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1juq h ASP 133 Cb 0.26 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1juq h ASP 133 CO -0.00 0.04 0.32 0.00 -1.72 0.00 0.00 179.24 177.88 1juq h ALA 134 N 1.09 0.78 -0.24 3.45 0.00 -0.77 -2.76 119.26 120.80 1juq h ALA 134 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1juq h ALA 134 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1juq h ALA 134 CO -0.07 -0.01 0.07 -0.92 0.00 0.00 0.00 179.25 178.32 1juq h TYR 135 N 0.61 0.39 0.00 0.00 3.20 -0.26 -2.84 116.97 118.06 1juq h TYR 135 Ca 0.26 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1juq h TYR 135 Cb 0.16 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1juq h TYR 135 CO -0.09 0.46 0.00 0.72 -1.64 0.00 0.00 178.16 177.61 1juq n HIS 136 N -4.75 0.00 0.00 -3.82 8.25 0.18 -2.38 115.22 112.71 1juq n HIS 136 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1juq n HIS 136 Cb 0.16 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1juq n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1juq n LEU 138 N 1.26 0.00 -0.07 2.41 4.77 -1.07 -0.69 117.00 123.61 1juq n LEU 138 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1juq n LEU 138 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1juq n LEU 138 CO 0.00 0.00 0.65 0.11 -1.33 0.00 0.00 177.39 176.82 1juq h LYS 139 N 0.00 0.45 -0.19 3.23 1.57 -1.63 -0.64 116.57 119.36 1juq h LYS 139 Ca 0.00 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1juq h LYS 139 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1juq h LYS 139 CO 0.00 0.75 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.41 1juq h ARG 140 N 0.15 -0.11 0.00 3.15 2.43 -1.19 0.89 114.38 119.69 1juq h ARG 140 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1juq h ARG 140 Cb 0.62 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1juq h ARG 140 CO 0.03 -0.08 0.00 1.04 -1.51 0.00 0.00 179.97 179.46 1juq n GLN 141 N -5.28 0.03 -0.93 0.20 1.13 -1.19 -4.86 117.38 106.48 1juq n GLN 141 Ca -0.02 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1juq n GLN 141 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1juq n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1juq n GLY 142 N -0.30 0.67 0.28 1.08 0.00 0.31 -4.90 105.19 102.32 1juq n GLY 142 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1juq n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1juq h ILE 143 N 0.00 1.27 -3.65 -0.61 2.04 -1.36 -3.36 117.51 111.84 1juq h ILE 143 Ca 0.00 -1.30 -0.69 0.00 1.00 0.00 0.00 64.86 63.87 1juq h ILE 143 Cb 0.00 1.11 -0.31 0.00 -0.74 0.00 0.00 36.82 36.88 1juq h ILE 143 CO 0.00 0.44 -0.61 -0.69 0.00 0.00 0.00 178.15 177.29 1juq s VAL 144 N -4.70 3.52 0.17 1.67 1.01 -1.03 -4.97 120.40 116.06 1juq s VAL 144 Ca -0.10 -1.39 0.12 0.00 0.00 0.00 0.00 61.98 60.61 1juq s VAL 144 Cb 0.13 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1juq s VAL 144 CO 0.84 -0.28 1.55 1.56 0.00 0.00 0.00 175.10 178.78 1juq h GLN 145 N 8.15 0.00 -1.73 2.72 4.20 -1.89 -3.36 115.11 123.19 1juq h GLN 145 Ca -0.21 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.53 1juq h GLN 145 Cb 1.07 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.63 1juq h GLN 145 CO 0.61 0.63 0.40 -1.54 -0.67 0.00 0.00 178.83 178.27 1juq s SER 146 N -6.69 -0.49 0.10 1.46 1.04 -1.26 -5.10 113.70 102.76 1juq s SER 146 Ca 0.00 0.60 -0.36 0.00 0.48 0.00 0.00 55.95 56.67 1juq s SER 146 Cb 0.11 0.49 -0.17 0.00 0.10 0.00 0.00 66.02 66.56 1juq s SER 146 CO 0.76 -0.41 1.30 0.47 0.98 0.00 0.00 173.24 176.34 1juq n ASP 147 N 1.02 1.55 -4.90 7.02 8.00 -1.26 -4.95 116.55 123.03 1juq n ASP 147 Ca -0.14 1.12 -0.28 0.00 0.71 0.00 0.00 54.79 56.20 1juq n ASP 147 Cb 0.57 -1.19 0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1juq n ASP 147 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1juq s PRO 148 N 0.33 3.00 0.41 -0.24 0.04 -1.26 -5.06 135.00 132.22 1juq s PRO 148 Ca 0.83 0.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.92 1juq s PRO 148 Cb -0.94 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 1juq s PRO 148 CO 0.48 -0.78 0.91 -2.14 0.04 0.00 0.00 177.00 175.51 1juq s PRO 149 N -5.13 4.17 0.07 0.56 0.02 -1.26 -5.05 135.00 128.37 1juq s PRO 149 Ca 0.55 1.02 0.01 0.00 0.02 0.00 0.00 61.00 62.60 1juq s PRO 149 Cb -0.11 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.15 1juq s PRO 149 CO 0.48 -0.01 -0.05 0.96 -0.33 0.00 0.00 177.00 178.05 1juq s ILE 150 N -2.17 0.45 0.57 2.83 -4.36 -1.26 -4.92 121.20 112.34 1juq s ILE 150 Ca 0.60 -1.67 -0.20 0.00 -0.26 0.00 0.00 60.65 59.11 1juq s ILE 150 Cb -0.09 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1juq s ILE 150 CO 0.15 -0.81 1.30 -2.84 0.24 0.00 0.00 174.94 172.98 1juq s PRO 151 N -3.32 3.03 0.10 0.37 0.02 -1.26 -5.01 135.00 128.93 1juq s PRO 151 Ca 0.04 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.18 1juq s PRO 151 Cb 0.03 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1juq s PRO 151 CO -0.06 -1.23 -0.08 0.14 -0.33 0.00 0.00 177.00 175.45 1juq s VAL 152 N -1.39 0.80 0.09 3.83 -7.23 -1.26 -5.09 120.40 110.15 1juq s VAL 152 Ca 0.74 -1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 58.88 1juq s VAL 152 Cb -0.37 -1.56 0.05 0.00 0.56 0.00 0.00 36.38 35.05 1juq s VAL 152 CO 0.42 -0.76 0.47 1.51 -0.31 0.00 0.00 175.10 176.44 1juq s ASP 153 N -2.84 -0.36 0.31 4.85 -4.77 -1.26 -5.02 116.67 107.58 1juq s ASP 153 Ca 0.10 -0.05 0.06 0.00 -3.30 0.00 0.00 52.55 49.35 1juq s ASP 153 Cb 0.02 0.49 0.84 0.00 -1.09 0.00 0.00 42.92 43.19 1juq s ASP 153 CO -0.03 -0.80 1.63 0.03 0.70 0.00 0.00 175.17 176.70 1juq h ARG 154 N 2.54 0.15 -1.00 2.11 2.47 -2.07 0.64 114.38 119.22 1juq h ARG 154 Ca -0.33 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1juq h ARG 154 Cb 1.24 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.48 1juq h ARG 154 CO 0.43 0.10 0.67 1.79 0.56 0.00 0.00 179.97 183.52 1juq h THR 155 N 0.16 1.25 0.00 2.04 1.35 -2.05 -3.40 112.91 112.26 1juq h THR 155 Ca 0.62 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1juq h THR 155 Cb 1.34 -0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1juq h THR 155 CO -0.72 0.25 0.00 -0.11 -0.25 0.00 0.00 175.52 174.69 1juq n LEU 156 N -4.38 0.00 -0.65 3.87 7.94 0.22 -5.15 117.00 118.85 1juq n LEU 156 Ca 0.12 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.10 1juq n LEU 156 Cb 0.01 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.03 1juq n LEU 156 CO 0.37 0.00 0.51 -0.38 -1.11 0.00 0.00 177.39 176.78