#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 0.22 0.00 1.61 3.41 -1.26 -3.47 113.62 114.14 1juq n SER 205 Ca 0.00 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1juq n SER 205 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 4.13 0.00 -2.11 7.33 0.00 -1.26 -2.47 120.51 126.13 1juq n ALA 2 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1juq n ALA 2 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 2.26 0.15 0.00 -0.58 -1.23 -4.93 120.64 116.32 1juq n GLU 3 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1juq n GLU 3 Cb 0.00 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.18 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 -0.77 1.29 -0.03 0.62 0.00 -1.96 -2.73 119.26 115.68 1juq h ALA 4 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1juq h ALA 4 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1juq h ALA 4 CO 0.00 0.51 0.02 1.49 0.00 0.00 0.00 179.25 181.27 1juq h GLU 5 N 0.08 0.05 -0.64 0.00 4.81 -1.95 -0.89 114.58 116.03 1juq h GLU 5 Ca 0.01 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1juq h GLU 5 Cb 0.71 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1juq h GLU 5 CO 0.05 0.07 0.15 0.78 -0.73 0.00 0.00 179.01 179.34 1juq h GLY 6 N 0.01 1.09 0.90 1.92 0.00 -1.38 -2.31 103.07 103.29 1juq h GLY 6 Ca 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1juq h GLY 6 CO -0.00 0.62 0.08 0.83 0.00 0.00 0.00 176.54 178.07 1juq h GLU 7 N 0.97 0.48 0.32 4.80 5.08 -1.25 -2.19 114.58 122.78 1juq h GLU 7 Ca 0.20 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1juq h GLU 7 Cb 0.34 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1juq h GLU 7 CO 0.00 0.54 -0.26 1.03 -1.00 0.00 0.00 179.01 179.33 1juq h SER 8 N 0.33 -0.68 -0.83 1.42 0.87 -1.04 -0.55 113.55 113.08 1juq h SER 8 Ca 0.10 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1juq h SER 8 Cb 0.27 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.39 1juq h SER 8 CO -0.00 -0.39 0.51 -0.07 -0.53 0.00 0.00 176.83 176.35 1juq h LEU 9 N -0.59 0.80 -0.78 2.23 3.38 -1.40 -1.12 115.31 117.83 1juq h LEU 9 Ca -0.02 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1juq h LEU 9 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1juq h LEU 9 CO -0.02 0.51 -0.50 -0.08 0.09 0.00 0.00 178.44 178.45 1juq h GLU 10 N 0.93 0.28 -0.69 1.13 4.57 -1.24 -0.82 114.58 118.73 1juq h GLU 10 Ca 0.36 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1juq h GLU 10 Cb 0.17 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1juq h GLU 10 CO -0.17 0.71 0.19 1.03 -1.18 0.00 0.00 179.01 179.59 1juq h SER 11 N 0.22 1.01 0.00 1.04 0.87 -0.15 -0.23 113.55 116.32 1juq h SER 11 Ca 0.01 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1juq h SER 11 Cb 0.96 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1juq h SER 11 CO 0.08 0.96 -0.00 -0.50 -0.53 0.00 0.00 176.83 176.84 1juq h TRP 12 N 1.03 -0.00 -0.22 2.24 4.06 -0.96 -2.92 115.95 119.18 1juq h TRP 12 Ca 0.22 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.24 1juq h TRP 12 Cb 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1juq h TRP 12 CO 0.02 0.35 0.16 1.25 -3.56 0.00 0.00 178.44 176.66 1juq h LEU 13 N -0.35 0.00 -0.71 -4.49 5.85 -0.93 0.83 115.31 115.51 1juq h LEU 13 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1juq h LEU 13 Cb 0.35 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1juq h LEU 13 CO 0.00 0.00 0.30 0.78 -0.34 0.00 0.00 178.44 179.18 1juq h ASN 14 N 0.00 0.97 -0.13 1.25 4.21 -0.86 -0.47 115.58 120.54 1juq h ASN 14 Ca 0.10 -0.16 -0.18 0.00 1.21 0.00 0.00 56.30 57.27 1juq h ASN 14 Cb 0.42 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1juq h ASN 14 CO -0.00 0.86 -0.57 0.11 -1.29 0.00 0.00 177.43 176.54 1juq h LYS 15 N 1.01 0.73 0.00 0.81 1.57 -0.75 0.17 116.57 120.10 1juq h LYS 15 Ca 0.24 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1juq h LYS 15 Cb 0.19 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1juq h LYS 15 CO -0.02 1.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1juq h ALA 16 N 0.80 1.00 0.00 3.86 0.00 -0.89 -3.22 119.26 120.81 1juq h ALA 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1juq h ALA 16 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1juq h ALA 16 CO 0.12 0.00 -0.02 0.25 0.00 0.00 0.00 179.25 179.59 1juq n THR 17 N -2.54 0.78 -1.64 0.00 -2.24 -0.21 -4.73 114.28 103.69 1juq n THR 17 Ca 0.03 -0.82 -0.50 0.00 -2.27 0.00 0.00 64.05 60.49 1juq n THR 17 Cb 0.32 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.44 3.09 0.00 3.42 2.85 0.59 -4.46 115.26 120.31 1juq n ASN 18 Ca 0.02 0.85 0.00 0.00 -0.11 0.00 0.00 54.58 55.33 1juq n ASN 18 Cb 0.38 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 40.07 1juq n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1juq n PRO 19 N 6.88 0.00 0.14 1.20 -0.02 -1.26 -0.67 135.00 141.26 1juq n PRO 19 Ca 0.27 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1juq n PRO 19 Cb 0.27 -1.51 0.04 0.00 -0.02 0.00 0.00 33.50 32.28 1juq n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1juq h SER 20 N 0.00 0.00 -2.37 2.55 0.87 -1.97 -3.46 113.55 109.17 1juq h SER 20 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 1juq h SER 20 Cb 0.02 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.04 1juq h SER 20 CO 0.00 0.33 0.76 0.59 -0.53 0.00 0.00 176.83 177.98 1juq n ASN 21 N -3.07 3.03 0.13 6.23 5.03 0.15 -4.85 115.26 121.91 1juq n ASN 21 Ca 0.00 1.10 -0.01 0.00 0.87 0.00 0.00 54.58 56.54 1juq n ASN 21 Cb 0.68 -1.43 0.14 0.00 -1.02 0.00 0.00 39.78 38.15 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 5.55 0.00 -3.92 3.52 3.08 -1.89 -3.46 114.38 117.25 1juq h ARG 22 Ca -0.45 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.39 1juq h ARG 22 Cb 1.26 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 1juq h ARG 22 CO 0.86 0.65 -0.13 1.14 -1.07 0.00 0.00 179.97 181.42 1juq s GLN 23 N -3.46 1.90 0.49 0.04 0.00 -1.26 -5.13 119.66 112.24 1juq s GLN 23 Ca -0.01 -1.65 -0.22 0.00 -0.00 0.00 0.00 55.36 53.48 1juq s GLN 23 Cb 0.12 0.47 -0.08 0.00 0.00 0.00 0.00 33.01 33.52 1juq s GLN 23 CO 0.76 -0.80 1.09 0.39 0.00 0.00 0.00 175.29 176.73 1juq n GLU 24 N -0.53 1.38 -3.86 9.60 4.71 -1.26 -4.93 120.64 125.75 1juq n GLU 24 Ca -0.01 0.51 -0.31 0.00 -0.01 0.00 0.00 57.16 57.34 1juq n GLU 24 Cb 0.61 -2.22 -0.12 0.00 -1.01 0.00 0.00 31.44 28.71 1juq n GLU 24 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1juq s ASP 25 N -0.86 4.90 0.59 1.62 -1.08 -1.26 -4.95 116.67 115.62 1juq s ASP 25 Ca 0.67 -3.50 0.29 0.00 -0.52 0.00 0.00 52.55 49.49 1juq s ASP 25 Cb -0.49 -1.70 1.63 0.00 -1.46 0.00 0.00 42.92 40.90 1juq s ASP 25 CO 0.53 -0.17 2.08 -0.50 0.52 0.00 0.00 175.17 177.63 1juq h TRP 26 N 5.97 0.00 -0.49 -5.34 4.06 -1.96 -1.06 115.95 117.13 1juq h TRP 26 Ca 0.07 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 1juq h TRP 26 Cb 0.82 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.96 1juq h TRP 26 CO 0.65 0.00 0.24 0.93 -3.56 0.00 0.00 178.44 176.70 1juq h GLU 27 N 0.00 0.70 -0.02 0.49 3.07 -1.98 0.43 114.58 117.26 1juq h GLU 27 Ca 0.10 -0.10 -0.25 0.00 -0.50 0.00 0.00 59.36 58.61 1juq h GLU 27 Cb 0.57 -0.13 0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1juq h GLU 27 CO -0.00 0.57 -0.99 1.88 -1.40 0.00 0.00 179.01 179.07 1juq h TYR 28 N 0.64 0.95 0.38 4.33 0.05 -1.61 -1.01 116.97 120.70 1juq h TYR 28 Ca 0.17 -0.51 -0.02 0.00 0.05 0.00 0.00 58.73 58.43 1juq h TYR 28 Cb 0.10 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1juq h TYR 28 CO -0.01 1.34 -0.19 0.82 -1.05 0.00 0.00 178.16 179.07 1juq h ILE 29 N 0.38 0.61 -0.59 -2.88 2.04 -1.12 0.14 117.51 116.09 1juq h ILE 29 Ca -0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1juq h ILE 29 Cb 1.64 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1juq h ILE 29 CO 0.19 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.87 1juq h ILE 30 N -0.52 1.24 -0.22 -0.67 1.08 -1.00 -2.38 117.51 115.03 1juq h ILE 30 Ca -0.05 -0.89 -0.05 0.00 -0.39 0.00 0.00 64.86 63.48 1juq h ILE 30 Cb 0.40 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1juq h ILE 30 CO 0.08 0.33 -0.07 1.23 -0.69 0.00 0.00 178.15 179.03 1juq h GLY 31 N 1.02 0.37 0.96 5.37 0.00 -0.81 -0.77 103.07 109.21 1juq h GLY 31 Ca 0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1juq h GLY 31 CO 0.00 0.21 -0.01 -2.75 0.00 0.00 0.00 176.54 173.99 1juq h PHE 32 N 0.33 0.82 -0.33 5.60 3.57 -0.25 -2.04 116.94 124.64 1juq h PHE 32 Ca 0.07 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1juq h PHE 32 Cb 0.34 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1juq h PHE 32 CO 0.01 0.82 0.22 0.00 -2.23 0.00 0.00 178.31 177.13 1juq h ASP 34 N 0.45 0.89 -0.84 0.00 3.32 -1.05 -0.59 116.42 118.59 1juq h ASP 34 Ca 0.12 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1juq h ASP 34 Cb -0.05 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1juq h ASP 34 CO -0.03 0.68 0.40 1.56 -1.72 0.00 0.00 179.24 180.14 1juq h GLN 35 N 1.02 1.21 -0.68 3.56 1.08 -0.95 -2.12 115.11 118.23 1juq h GLN 35 Ca 0.27 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1juq h GLN 35 Cb -0.04 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.14 1juq h GLN 35 CO -0.05 0.93 0.15 0.82 -0.95 0.00 0.00 178.83 179.73 1juq h ILE 36 N 1.20 1.26 0.00 2.54 2.04 -0.53 -2.06 117.51 121.96 1juq h ILE 36 Ca 0.29 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1juq h ILE 36 Cb 0.12 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1juq h ILE 36 CO -0.04 0.38 0.00 0.59 0.00 0.00 0.00 178.15 179.08 1juq n ASN 37 N -4.25 0.48 -0.02 1.72 3.02 -0.33 -3.03 115.26 112.86 1juq n ASN 37 Ca 0.05 0.64 0.04 0.00 -0.03 0.00 0.00 54.58 55.28 1juq n ASN 37 Cb 0.27 -0.73 -0.11 0.00 -0.61 0.00 0.00 39.78 38.60 1juq n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1juq n LYS 38 N -2.05 0.71 -2.94 3.52 5.02 -0.90 -4.97 118.16 116.55 1juq n LYS 38 Ca 0.02 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 1juq n LYS 38 Cb 0.18 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1juq n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1juq s GLU 39 N -2.85 4.40 0.27 1.97 0.41 -0.81 -4.95 118.70 117.14 1juq s GLU 39 Ca -0.05 1.00 -0.01 0.00 -0.41 0.00 0.00 54.97 55.50 1juq s GLU 39 Cb 0.08 -3.50 0.59 0.00 -1.78 0.00 0.00 34.13 29.52 1juq s GLU 39 CO 0.58 -0.10 1.69 1.25 -0.49 0.00 0.00 175.26 178.19 1juq h LEU 40 N 7.37 0.18 -3.51 1.80 5.85 -1.92 0.11 115.31 125.18 1juq h LEU 40 Ca -0.37 0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.32 1juq h LEU 40 Cb 1.18 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 1juq h LEU 40 CO 0.78 -0.01 0.13 -0.62 -0.34 0.00 0.00 178.44 178.38 1juq n GLU 41 N -5.09 2.74 0.04 1.25 1.02 -1.26 -4.74 120.64 114.60 1juq n GLU 41 Ca 0.18 -3.05 -0.15 0.00 -0.02 0.00 0.00 57.16 54.12 1juq n GLU 41 Cb 0.55 -1.98 -0.09 0.00 -0.02 0.00 0.00 31.44 29.89 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 1.71 -1.02 0.13 0.62 0.00 -0.97 -2.18 103.07 101.37 1juq h GLY 42 Ca 0.22 0.63 0.07 0.00 0.00 0.00 0.00 47.33 48.24 1juq h GLY 42 CO 0.53 -0.23 -0.23 -2.55 0.00 0.00 0.00 176.54 174.06 1juq h PRO 43 N -0.63 -0.21 -0.29 4.80 0.11 -1.80 0.70 132.00 134.67 1juq h PRO 43 Ca 0.03 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.19 1juq h PRO 43 Cb 0.70 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1juq h PRO 43 CO -0.37 -0.14 0.09 1.96 -0.21 0.00 0.00 178.00 179.33 1juq h GLN 44 N -0.22 0.21 -0.21 1.05 7.50 -1.88 -2.27 115.11 119.29 1juq h GLN 44 Ca 0.15 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.23 1juq h GLN 44 Cb 0.45 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 1juq h GLN 44 CO -0.40 0.14 -0.06 0.82 -1.50 0.00 0.00 178.83 177.83 1juq h ILE 45 N 0.22 1.29 -0.16 2.54 2.04 -1.12 -3.27 117.51 119.05 1juq h ILE 45 Ca 0.13 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.97 1juq h ILE 45 Cb 0.11 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1juq h ILE 45 CO -0.14 0.32 -0.20 0.00 0.00 0.00 0.00 178.15 178.13 1juq h ALA 46 N 0.73 -0.13 -0.77 1.87 0.00 -0.69 -0.95 119.26 119.32 1juq h ALA 46 Ca 0.05 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1juq h ALA 46 Cb 0.52 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1juq h ALA 46 CO 0.02 -0.65 0.51 -0.39 0.00 0.00 0.00 179.25 178.74 1juq h VAL 47 N -0.24 1.07 -0.37 0.00 -1.51 -1.52 0.58 116.25 114.26 1juq h VAL 47 Ca 0.11 -0.30 -0.16 0.00 -1.23 0.00 0.00 66.70 65.12 1juq h VAL 47 Cb 0.40 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 1juq h VAL 47 CO -0.30 0.16 -0.37 0.03 -1.23 0.00 0.00 177.57 175.86 1juq h ARG 48 N 0.88 0.92 -0.48 5.19 3.08 -1.50 0.73 114.38 123.19 1juq h ARG 48 Ca 0.32 -0.48 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1juq h ARG 48 Cb 0.15 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1juq h ARG 48 CO -0.10 1.14 0.03 -0.07 -1.07 0.00 0.00 179.97 179.90 1juq h LEU 49 N 0.73 0.80 -0.29 3.04 3.38 0.17 -2.13 115.31 121.01 1juq h LEU 49 Ca 0.06 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1juq h LEU 49 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1juq h LEU 49 CO 0.09 0.89 0.03 -0.07 0.09 0.00 0.00 178.44 179.47 1juq h LEU 50 N 0.68 0.48 -0.46 1.67 3.38 0.20 -1.58 115.31 119.68 1juq h LEU 50 Ca 0.14 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1juq h LEU 50 Cb 0.46 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1juq h LEU 50 CO 0.02 0.63 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 1juq h ALA 51 N 0.86 0.40 -0.49 1.53 0.00 -0.75 0.23 119.26 121.03 1juq h ALA 51 Ca 0.09 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1juq h ALA 51 Cb 0.37 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1juq h ALA 51 CO 0.01 -0.41 0.21 1.25 0.00 0.00 0.00 179.25 180.31 1juq h HIS 52 N 0.08 0.74 -0.70 0.00 -0.00 -1.21 -2.13 115.15 111.93 1juq h HIS 52 Ca 0.23 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1juq h HIS 52 Cb 0.34 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1juq h HIS 52 CO -0.32 0.61 0.31 0.87 -0.00 0.00 0.00 177.93 179.40 1juq h LYS 53 N 0.65 1.02 0.00 5.26 1.79 -0.36 -1.94 116.57 122.99 1juq h LYS 53 Ca 0.17 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1juq h LYS 53 Cb 0.17 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1juq h LYS 53 CO -0.02 0.80 -0.13 0.82 -1.08 0.00 0.00 179.45 179.85 1juq h ILE 54 N 1.00 0.52 -0.35 1.86 2.04 -0.21 -1.71 117.51 120.66 1juq h ILE 54 Ca 0.24 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1juq h ILE 54 Cb 0.14 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1juq h ILE 54 CO -0.03 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1juq n GLN 55 N -3.54 1.93 -1.99 2.37 6.02 -0.74 -4.83 117.38 116.59 1juq n GLN 55 Ca -0.01 -1.43 -0.40 0.00 -0.01 0.00 0.00 57.00 55.15 1juq n GLN 55 Cb 0.27 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.17 6.32 0.10 1.08 0.15 -0.64 -4.88 113.70 114.66 1juq s SER 56 Ca 0.29 2.75 0.20 0.00 0.70 0.00 0.00 55.95 59.89 1juq s SER 56 Cb 0.16 -2.65 0.81 0.00 -1.71 0.00 0.00 66.02 62.63 1juq s SER 56 CO 0.21 -0.86 1.61 -0.81 1.20 0.00 0.00 173.24 174.59 1juq n PRO 57 N 0.22 0.08 -3.19 5.44 -0.04 -1.26 -4.48 135.00 131.77 1juq n PRO 57 Ca 0.03 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.34 1juq n PRO 57 Cb 0.42 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1juq n PRO 57 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1juq s GLN 58 N -3.11 3.19 0.18 0.54 -0.44 -1.26 -4.98 119.66 113.78 1juq s GLN 58 Ca 0.07 -0.59 -0.20 0.00 -2.50 0.00 0.00 55.36 52.14 1juq s GLN 58 Cb 0.10 -3.98 0.13 0.00 -1.64 0.00 0.00 33.01 27.62 1juq s GLN 58 CO 0.35 -0.98 1.60 1.49 0.50 0.00 0.00 175.29 178.25 1juq h GLU 59 N 8.84 -0.15 -0.58 1.67 4.81 -1.99 -2.08 114.58 125.09 1juq h GLU 59 Ca -0.26 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1juq h GLU 59 Cb 1.10 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1juq h GLU 59 CO 0.87 -0.10 0.16 2.35 -0.73 0.00 0.00 179.01 181.55 1juq h TRP 60 N -0.16 0.91 -0.30 0.92 -0.00 -1.96 0.12 115.95 115.48 1juq h TRP 60 Ca 0.23 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1juq h TRP 60 Cb 0.53 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.41 1juq h TRP 60 CO -0.58 0.75 0.15 1.49 -0.00 0.00 0.00 178.44 180.25 1juq h GLU 61 N 0.86 0.44 -0.51 2.65 4.81 -1.68 -1.48 114.58 119.65 1juq h GLU 61 Ca 0.19 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1juq h GLU 61 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1juq h GLU 61 CO -0.00 0.41 0.17 0.00 -0.73 0.00 0.00 179.01 178.85 1juq h ALA 62 N 1.01 0.67 -0.58 2.92 0.00 -0.92 -1.26 119.26 121.09 1juq h ALA 62 Ca 0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1juq h ALA 62 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1juq h ALA 62 CO -0.01 0.32 0.06 -0.07 0.00 0.00 0.00 179.25 179.55 1juq h LEU 63 N 0.70 0.93 -0.93 0.00 3.38 -0.66 -0.83 115.31 117.90 1juq h LEU 63 Ca 0.17 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1juq h LEU 63 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1juq h LEU 63 CO -0.01 0.96 -0.32 1.56 0.09 0.00 0.00 178.44 180.72 1juq h GLN 64 N 0.91 0.39 -0.39 1.13 4.20 -1.13 -1.95 115.11 118.27 1juq h GLN 64 Ca 0.18 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1juq h GLN 64 Cb 0.45 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1juq h GLN 64 CO 0.02 0.67 -0.02 0.00 -0.67 0.00 0.00 178.83 178.83 1juq h ALA 65 N 1.32 1.23 -0.25 3.87 0.00 -0.37 -0.25 119.26 124.82 1juq h ALA 65 Ca 0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1juq h ALA 65 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1juq h ALA 65 CO 0.06 0.51 -0.43 -0.07 0.00 0.00 0.00 179.25 179.31 1juq h LEU 66 N 0.60 0.66 -0.64 0.00 3.38 -0.70 -1.00 115.31 117.62 1juq h LEU 66 Ca 0.12 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1juq h LEU 66 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1juq h LEU 66 CO 0.02 1.00 -0.04 0.74 0.09 0.00 0.00 178.44 180.25 1juq h THR 67 N 0.50 1.26 -0.63 0.22 2.02 -0.84 -0.98 112.91 114.47 1juq h THR 67 Ca 0.04 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1juq h THR 67 Cb 0.96 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1juq h THR 67 CO 0.09 0.43 0.32 0.58 0.37 0.00 0.00 175.52 177.30 1juq h VAL 68 N 0.93 1.21 -0.68 3.16 2.07 -0.78 -0.94 116.25 121.22 1juq h VAL 68 Ca 0.16 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1juq h VAL 68 Cb 0.59 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1juq h VAL 68 CO 0.04 0.24 0.31 0.25 0.02 0.00 0.00 177.57 178.42 1juq h LEU 69 N 0.86 0.88 -0.10 2.57 5.85 -0.78 -0.52 115.31 124.06 1juq h LEU 69 Ca 0.22 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1juq h LEU 69 Cb 0.08 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1juq h LEU 69 CO -0.03 0.76 0.04 -0.08 -0.34 0.00 0.00 178.44 178.79 1juq h GLU 70 N 0.96 0.15 -0.95 1.25 4.81 -0.59 -2.76 114.58 117.46 1juq h GLU 70 Ca 0.23 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1juq h GLU 70 Cb 0.13 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1juq h GLU 70 CO -0.03 0.28 0.63 0.00 -0.73 0.00 0.00 179.01 179.16 1juq h ALA 71 N 0.87 1.35 0.00 2.92 0.00 -0.75 -2.93 119.26 120.72 1juq h ALA 71 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1juq h ALA 71 Cb 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1juq h ALA 71 CO -0.00 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1juq n LYS 74 N 1.42 0.00 -0.00 0.00 5.02 -1.11 0.13 118.16 123.62 1juq n LYS 74 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1juq n LYS 74 Cb 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.97 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 0.85 -1.16 4.39 3.02 0.16 -4.62 115.26 117.90 1juq n ASN 75 Ca 0.00 -0.48 0.09 0.00 -0.03 0.00 0.00 54.58 54.16 1juq n ASN 75 Cb 0.00 1.39 0.28 0.00 -0.61 0.00 0.00 39.78 40.84 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 1.09 -0.44 0.36 0.00 0.00 -1.26 -3.09 105.19 101.86 1juq n GLY 77 Ca 0.21 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 1juq n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1juq h ARG 78 N 0.00 1.26 -0.62 1.61 2.43 -1.98 -1.41 114.38 115.67 1juq h ARG 78 Ca 0.00 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1juq h ARG 78 Cb 0.00 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.25 1juq h ARG 78 CO 0.00 0.90 0.41 0.07 -1.51 0.00 0.00 179.97 179.84 1juq h ARG 79 N 1.28 0.63 -0.02 0.20 0.11 -2.00 0.33 114.38 114.90 1juq h ARG 79 Ca 0.33 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 60.28 1juq h ARG 79 Cb -0.02 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 30.92 1juq h ARG 79 CO -0.06 0.41 -0.35 0.35 0.10 0.00 0.00 179.97 180.42 1juq h PHE 80 N 0.64 0.39 -0.85 4.08 3.57 -1.34 -3.24 116.94 120.19 1juq h PHE 80 Ca 0.26 -0.20 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1juq h PHE 80 Cb 0.23 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.84 1juq h PHE 80 CO -0.00 0.99 0.48 0.45 -2.23 0.00 0.00 178.31 178.00 1juq h HIS 81 N -0.32 0.87 -0.42 0.41 3.86 -0.25 -0.48 115.15 118.82 1juq h HIS 81 Ca -0.04 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1juq h HIS 81 Cb 1.07 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1juq h HIS 81 CO 0.16 0.32 0.28 -0.91 0.86 0.00 0.00 177.93 178.64 1juq h ASN 82 N 0.77 0.31 0.71 2.45 -0.26 -0.45 -0.42 115.58 118.70 1juq h ASN 82 Ca 0.43 -0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.90 1juq h ASN 82 Cb 0.46 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1juq h ASN 82 CO -0.28 0.21 -1.21 -0.08 -1.06 0.00 0.00 177.43 175.02 1juq h GLU 83 N 0.36 0.20 0.00 0.81 4.57 -1.14 -3.23 114.58 116.15 1juq h GLU 83 Ca 0.18 -0.35 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 1juq h GLU 83 Cb 0.25 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1juq h GLU 83 CO -0.04 1.15 -0.54 0.28 -1.18 0.00 0.00 179.01 178.68 1juq h VAL 84 N 0.06 1.33 -0.05 0.32 2.07 -0.66 -3.14 116.25 116.18 1juq h VAL 84 Ca -0.11 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 1juq h VAL 84 Cb 1.93 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 1juq h VAL 84 CO 0.18 0.53 0.02 0.61 0.02 0.00 0.00 177.57 178.94 1juq n GLY 85 N 0.13 1.92 3.44 2.17 0.00 -0.23 -4.32 105.19 108.30 1juq n GLY 85 Ca -0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.59 2.26 0.54 1.61 1.02 -1.19 -4.49 119.74 118.90 1juq s LYS 86 Ca 0.04 -0.85 0.23 0.00 0.02 0.00 0.00 55.97 55.40 1juq s LYS 86 Cb 0.03 -2.24 1.44 0.00 -0.52 0.00 0.00 37.83 36.54 1juq s LYS 86 CO 0.01 0.58 2.10 0.74 -0.92 0.00 0.00 175.35 177.86 1juq h PHE 87 N 5.03 0.00 -0.95 3.18 0.04 -1.91 0.20 116.94 122.53 1juq h PHE 87 Ca -0.46 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.45 1juq h PHE 87 Cb 1.15 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.22 1juq h PHE 87 CO 0.49 0.00 0.60 -0.09 -0.60 0.00 0.00 178.31 178.72 1juq h ARG 88 N 0.00 0.80 0.01 1.51 2.43 -1.94 0.21 114.38 117.40 1juq h ARG 88 Ca 0.09 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 1juq h ARG 88 Cb 0.40 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1juq h ARG 88 CO -0.00 0.53 -1.61 0.34 -1.51 0.00 0.00 179.97 177.71 1juq n PHE 89 N -4.61 0.83 -0.20 2.20 7.35 -0.11 -4.41 117.46 118.52 1juq n PHE 89 Ca 0.19 0.33 0.14 0.00 -0.76 0.00 0.00 57.45 57.34 1juq n PHE 89 Cb 0.44 -1.09 0.46 0.00 0.35 0.00 0.00 39.48 39.64 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 -0.86 0.49 -1.52 -2.13 3.38 -0.46 -1.14 115.31 113.07 1juq h LEU 90 Ca -0.43 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1juq h LEU 90 Cb 1.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1juq h LEU 90 CO -0.22 0.25 0.10 0.78 0.09 0.00 0.00 178.44 179.44 1juq h ASN 91 N 0.52 0.37 -0.37 -0.43 2.35 -0.79 -1.23 115.58 116.00 1juq h ASN 91 Ca 0.39 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.02 1juq h ASN 91 Cb 0.78 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1juq h ASN 91 CO -0.15 0.36 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.60 1juq h GLU 92 N 0.41 0.78 -0.14 0.81 4.39 -1.41 -1.73 114.58 117.70 1juq h GLU 92 Ca 0.10 -0.24 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 1juq h GLU 92 Cb 0.12 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1juq h GLU 92 CO -0.01 0.83 -0.64 -0.07 -1.16 0.00 0.00 179.01 177.96 1juq h LEU 93 N 0.72 0.58 -0.54 1.33 3.38 -1.31 -3.00 115.31 116.47 1juq h LEU 93 Ca 0.13 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1juq h LEU 93 Cb 0.52 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1juq h LEU 93 CO 0.03 1.07 0.32 0.40 0.09 0.00 0.00 178.44 180.34 1juq h ILE 94 N 0.37 1.04 -0.66 1.22 1.08 -0.90 -1.84 117.51 117.81 1juq h ILE 94 Ca -0.01 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 64.31 1juq h ILE 94 Cb 1.20 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 1juq h ILE 94 CO 0.12 0.11 0.44 0.11 -0.69 0.00 0.00 178.15 178.24 1juq h LYS 95 N 0.62 0.63 -0.55 2.37 1.57 -1.23 -0.12 116.57 119.86 1juq h LYS 95 Ca 0.22 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1juq h LYS 95 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1juq h LYS 95 CO -0.11 0.41 0.02 0.28 -0.57 0.00 0.00 179.45 179.49 1juq h VAL 96 N 0.65 1.25 0.00 0.50 2.07 -1.20 -1.18 116.25 118.33 1juq h VAL 96 Ca 0.29 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1juq h VAL 96 Cb 0.31 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1juq h VAL 96 CO -0.09 0.38 -1.32 1.33 0.02 0.00 0.00 177.57 177.89 1juq n VAL 97 N -4.20 0.29 -3.05 2.57 0.24 -0.87 -3.28 118.33 110.02 1juq n VAL 97 Ca 0.03 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 1juq n VAL 97 Cb 0.31 -0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.58 1juq n VAL 97 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1juq s SER 98 N -4.64 6.96 0.58 -1.34 0.15 -0.11 -4.67 113.70 110.62 1juq s SER 98 Ca -0.01 1.16 0.28 0.00 0.70 0.00 0.00 55.95 58.08 1juq s SER 98 Cb 0.12 -2.41 1.74 0.00 -1.71 0.00 0.00 66.02 63.77 1juq s SER 98 CO 0.83 -0.13 2.23 -0.65 1.20 0.00 0.00 173.24 176.72 1juq h PRO 99 N 6.82 0.00 0.00 5.44 0.11 -1.88 0.95 132.00 143.44 1juq h PRO 99 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1juq h PRO 99 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1juq h PRO 99 CO 0.76 0.01 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 1juq n LYS 100 N -3.89 0.12 0.00 1.05 5.02 -1.26 -4.32 118.16 114.88 1juq n LYS 100 Ca -0.03 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1juq n LYS 100 Cb 0.10 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.89 0.00 0.27 2.13 4.02 -0.55 -4.99 117.16 116.15 1juq n TYR 101 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1juq n TYR 101 Cb 0.32 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.74 1juq n TYR 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1juq h LEU 102 N 0.00 0.00 -0.83 7.72 3.38 -1.21 -3.41 115.31 120.96 1juq h LEU 102 Ca 0.00 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1juq h LEU 102 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 1juq h LEU 102 CO 0.00 0.03 -0.14 0.61 0.09 0.00 0.00 178.44 179.03 1juq n GLY 103 N 1.21 -1.31 0.26 0.83 0.00 0.22 -1.01 105.19 105.38 1juq n GLY 103 Ca 0.02 0.86 0.18 0.00 0.00 0.00 0.00 46.02 47.08 1juq n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1juq h ASP 104 N 0.00 0.00 -0.05 1.61 3.32 -1.78 -2.83 116.42 116.69 1juq h ASP 104 Ca 0.43 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 1juq h ASP 104 Cb 0.74 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1juq h ASP 104 CO -0.83 0.00 -0.37 0.54 -1.72 0.00 0.00 179.24 176.86 1juq n ARG 105 N -2.83 1.61 -5.13 3.56 1.74 -0.18 -4.99 116.66 110.44 1juq n ARG 105 Ca -0.01 -3.20 -0.31 0.00 -0.77 0.00 0.00 57.85 53.57 1juq n ARG 105 Cb 0.16 -1.64 -0.15 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.19 2.12 0.60 1.55 1.01 -1.07 -4.97 120.40 116.45 1juq s VAL 106 Ca 0.38 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1juq s VAL 106 Cb 0.36 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1juq s VAL 106 CO -0.05 0.49 1.23 -0.94 0.00 0.00 0.00 175.10 175.83 1juq s SER 107 N -0.88 5.12 0.29 3.32 1.04 -1.26 -4.87 113.70 116.46 1juq s SER 107 Ca 0.11 2.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.97 1juq s SER 107 Cb -0.10 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.85 1juq s SER 107 CO 0.00 -1.64 1.86 -0.33 0.98 0.00 0.00 173.24 174.11 1juq h GLU 108 N 0.88 0.85 -0.25 4.02 4.39 -1.98 -1.20 114.58 121.29 1juq h GLU 108 Ca -0.51 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.07 1juq h GLU 108 Cb 1.30 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1juq h GLU 108 CO 0.55 0.72 0.11 0.87 -1.16 0.00 0.00 179.01 180.10 1juq h LYS 109 N 0.84 0.24 -0.65 2.33 1.57 -1.99 0.24 116.57 119.15 1juq h LYS 109 Ca 0.19 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1juq h LYS 109 Cb 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1juq h LYS 109 CO -0.01 0.16 0.28 0.28 -0.57 0.00 0.00 179.45 179.58 1juq h VAL 110 N 0.25 1.23 -0.20 0.50 2.07 -1.82 -2.09 116.25 116.19 1juq h VAL 110 Ca 0.11 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.78 1juq h VAL 110 Cb 0.04 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1juq h VAL 110 CO -0.08 0.28 -0.48 0.11 0.02 0.00 0.00 177.57 177.41 1juq h LYS 111 N 0.91 0.52 -0.53 1.57 1.57 -0.82 -2.15 116.57 117.65 1juq h LYS 111 Ca 0.22 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1juq h LYS 111 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1juq h LYS 111 CO -0.02 0.89 0.03 1.15 -0.57 0.00 0.00 179.45 180.94 1juq h THR 112 N 0.42 1.26 -0.45 -0.16 2.02 -0.37 -2.06 112.91 113.57 1juq h THR 112 Ca 0.02 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 1juq h THR 112 Cb 1.00 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1juq h THR 112 CO 0.09 0.37 0.12 0.50 0.37 0.00 0.00 175.52 176.97 1juq h LYS 113 N 0.78 0.72 -0.36 6.66 1.63 -1.28 -0.90 116.57 123.81 1juq h LYS 113 Ca 0.15 -0.17 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1juq h LYS 113 Cb 0.48 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 1juq h LYS 113 CO 0.02 0.71 0.12 0.28 -3.45 0.00 0.00 179.45 177.13 1juq h VAL 114 N 0.59 0.89 -0.21 2.00 2.07 -1.21 0.00 116.25 120.39 1juq h VAL 114 Ca 0.14 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1juq h VAL 114 Cb 0.31 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1juq h VAL 114 CO 0.00 0.05 0.03 0.40 0.02 0.00 0.00 177.57 178.07 1juq h ILE 115 N 0.27 0.89 -0.25 4.57 1.08 -1.15 -0.48 117.51 122.43 1juq h ILE 115 Ca 0.16 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.66 1juq h ILE 115 Cb 0.14 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 34.60 1juq h ILE 115 CO -0.17 0.02 -0.20 -0.33 -0.69 0.00 0.00 178.15 176.78 1juq h GLU 116 N 0.10 -0.19 -0.19 2.37 5.08 -0.64 0.31 114.58 121.42 1juq h GLU 116 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1juq h GLU 116 Cb 0.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1juq h GLU 116 CO -0.14 -0.13 0.13 -0.07 -1.00 0.00 0.00 179.01 177.80 1juq h LEU 117 N -0.20 0.22 -0.41 1.33 3.38 -0.70 0.07 115.31 119.00 1juq h LEU 117 Ca 0.14 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1juq h LEU 117 Cb 0.41 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1juq h LEU 117 CO -0.37 0.17 0.24 -0.07 0.09 0.00 0.00 178.44 178.50 1juq h LEU 118 N 0.25 0.39 0.11 1.67 3.38 -0.70 -1.03 115.31 119.39 1juq h LEU 118 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1juq h LEU 118 Cb -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1juq h LEU 118 CO -0.01 0.28 -0.10 0.22 0.09 0.00 0.00 178.44 178.92 1juq h TYR 119 N 0.49 -0.25 -1.00 1.13 3.20 -0.72 -2.54 116.97 117.28 1juq h TYR 119 Ca 0.16 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.17 1juq h TYR 119 Cb 0.01 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.29 1juq h TYR 119 CO -0.07 -0.15 0.63 0.77 -1.64 0.00 0.00 178.16 177.69 1juq h SER 120 N -0.23 0.88 0.30 -2.11 0.02 -0.67 -1.66 113.55 110.09 1juq h SER 120 Ca 0.00 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1juq h SER 120 Cb 0.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1juq h SER 120 CO -0.02 0.43 -0.38 -0.50 -1.14 0.00 0.00 176.83 175.23 1juq h TRP 121 N 0.93 0.13 0.00 3.45 6.55 -0.79 -1.19 115.95 125.02 1juq h TRP 121 Ca 0.52 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.33 1juq h TRP 121 Cb 0.61 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 1juq h TRP 121 CO -0.00 0.48 0.00 0.25 -1.05 0.00 0.00 178.44 178.11 1juq n THR 122 N -4.07 0.01 0.00 1.49 -2.24 -0.62 -0.65 114.28 108.19 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 0.43 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.49 0.00 -3.23 6.98 0.00 -0.45 -3.91 120.51 120.38 1juq n ALA 124 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1juq n ALA 124 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 3.57 -0.16 0.00 7.99 0.18 -4.94 117.00 123.64 1juq n LEU 125 Ca 0.00 -5.44 0.23 0.00 -0.01 0.00 0.00 56.01 50.79 1juq n LEU 125 Cb 0.00 -0.46 0.64 0.00 -0.11 0.00 0.00 43.42 43.49 1juq n LEU 125 CO 0.00 2.17 1.23 -0.65 -1.51 0.00 0.00 177.39 178.63 1juq h PRO 126 N 3.71 0.14 -0.00 3.23 0.11 -1.76 -0.74 132.00 136.70 1juq h PRO 126 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1juq h PRO 126 Cb 0.64 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1juq h PRO 126 CO 0.79 0.09 -0.03 -0.85 -0.21 0.00 0.00 178.00 177.78 1juq n GLU 127 N -4.38 0.08 -2.80 1.05 0.00 -1.26 -4.47 120.64 108.86 1juq n GLU 127 Ca 0.17 -0.01 -0.44 0.00 0.00 0.00 0.00 57.16 56.89 1juq n GLU 127 Cb 0.78 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.72 1juq n GLU 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1juq s GLU 128 N -2.93 4.01 0.25 3.44 2.56 -0.28 -4.86 118.70 120.90 1juq s GLU 128 Ca 0.16 -2.29 -0.03 0.00 0.00 0.00 0.00 54.97 52.82 1juq s GLU 128 Cb 0.19 -5.24 0.47 0.00 2.00 0.00 0.00 34.13 31.55 1juq s GLU 128 CO 0.53 -1.96 1.77 0.00 -0.56 0.00 0.00 175.26 175.05 1juq h ALA 129 N 7.47 1.20 -0.31 6.30 0.00 -1.84 -2.53 119.26 129.56 1juq h ALA 129 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1juq h ALA 129 Cb 0.88 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1juq h ALA 129 CO 1.32 -0.04 0.13 0.87 0.00 0.00 0.00 179.25 181.53 1juq h LYS 130 N 0.65 0.43 -0.70 0.00 1.57 -1.89 -1.02 116.57 115.61 1juq h LYS 130 Ca 0.43 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1juq h LYS 130 Cb 0.54 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1juq h LYS 130 CO -0.32 0.35 0.35 0.82 -0.57 0.00 0.00 179.45 180.08 1juq h ILE 131 N 0.43 1.23 -0.33 1.86 2.04 -1.69 0.11 117.51 121.15 1juq h ILE 131 Ca 0.11 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1juq h ILE 131 Cb 0.08 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1juq h ILE 131 CO -0.01 0.26 -0.10 0.11 0.00 0.00 0.00 178.15 178.40 1juq h LYS 132 N 0.97 0.66 -0.37 2.37 1.57 -1.43 -0.52 116.57 119.81 1juq h LYS 132 Ca 0.24 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1juq h LYS 132 Cb 0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1juq h LYS 132 CO -0.03 0.84 0.03 -0.44 -0.57 0.00 0.00 179.45 179.28 1juq h ASP 133 N 0.44 -0.08 0.28 0.86 3.32 -0.78 0.56 116.42 121.02 1juq h ASP 133 Ca 0.08 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1juq h ASP 133 Cb 0.61 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1juq h ASP 133 CO 0.04 -0.00 -0.25 0.00 -1.72 0.00 0.00 179.24 177.30 1juq h ALA 134 N 1.30 -0.55 -0.86 3.45 0.00 -0.58 -2.82 119.26 119.22 1juq h ALA 134 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1juq h ALA 134 Cb 0.23 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1juq h ALA 134 CO -0.27 -0.83 0.47 -0.92 0.00 0.00 0.00 179.25 177.69 1juq h TYR 135 N -0.56 1.17 0.00 0.00 3.20 -0.58 -2.36 116.97 117.85 1juq h TYR 135 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1juq h TYR 135 Cb 0.51 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1juq h TYR 135 CO -0.16 0.81 0.00 0.72 -1.64 0.00 0.00 178.16 177.89 1juq n HIS 136 N -4.34 0.00 0.00 -3.82 8.25 0.19 -2.28 115.22 113.22 1juq n HIS 136 Ca 0.09 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1juq n HIS 136 Cb 0.10 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 1.03 0.00 -0.01 2.41 4.77 -0.89 -1.32 117.00 122.98 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 0.20 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1juq n LEU 138 CO 0.00 0.00 0.47 0.11 -1.33 0.00 0.00 177.39 176.64 1juq h LYS 139 N 0.00 -0.06 0.00 3.23 1.57 -1.67 -0.72 116.57 118.92 1juq h LYS 139 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1juq h LYS 139 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1juq h LYS 139 CO 0.00 0.57 -0.01 0.07 -0.57 0.00 0.00 179.45 179.50 1juq h ARG 140 N -0.77 0.00 -0.13 3.15 0.11 -1.50 -0.44 114.38 114.80 1juq h ARG 140 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1juq h ARG 140 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1juq h ARG 140 CO 0.01 0.01 0.00 1.04 0.10 0.00 0.00 179.97 181.13 1juq n GLN 141 N -3.52 1.83 -0.75 0.08 1.13 -1.22 -4.95 117.38 109.97 1juq n GLN 141 Ca -0.03 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 1juq n GLN 141 Cb 0.10 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.01 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 1.20 1.26 0.26 1.08 0.00 -0.18 -4.91 105.19 103.91 1juq n GLY 142 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.62 -0.61 2.04 -1.37 -3.38 117.51 111.84 1juq h ILE 143 Ca 0.00 -1.55 -0.68 0.00 1.00 0.00 0.00 64.86 63.63 1juq h ILE 143 Cb 0.00 1.38 -0.25 0.00 -0.74 0.00 0.00 36.82 37.21 1juq h ILE 143 CO 0.00 0.52 -0.59 -0.69 0.00 0.00 0.00 178.15 177.39 1juq s VAL 144 N -4.40 4.24 0.12 1.67 1.01 -0.98 -4.98 120.40 117.09 1juq s VAL 144 Ca -0.11 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1juq s VAL 144 Cb 0.11 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1juq s VAL 144 CO 0.88 0.03 1.45 1.56 0.00 0.00 0.00 175.10 179.02 1juq h GLN 145 N 8.30 0.81 -3.01 2.72 1.08 -1.90 -3.40 115.11 119.70 1juq h GLN 145 Ca -0.31 -0.42 -0.02 0.00 -1.45 0.00 0.00 58.65 56.45 1juq h GLN 145 Cb 1.13 0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 28.45 1juq h GLN 145 CO 0.61 1.05 0.20 -1.54 -0.95 0.00 0.00 178.83 178.20 1juq s SER 146 N -6.66 -0.56 0.16 1.46 1.04 -1.26 -5.10 113.70 102.79 1juq s SER 146 Ca -0.12 -0.01 -0.33 0.00 0.48 0.00 0.00 55.95 55.97 1juq s SER 146 Cb 0.10 0.59 -0.13 0.00 0.10 0.00 0.00 66.02 66.68 1juq s SER 146 CO 0.85 -0.96 1.63 0.47 0.98 0.00 0.00 173.24 176.21 1juq n ASP 147 N -0.37 3.34 -4.88 7.02 8.00 -1.26 -4.96 116.55 123.45 1juq n ASP 147 Ca -0.17 1.07 -0.30 0.00 0.71 0.00 0.00 54.79 56.10 1juq n ASP 147 Cb 0.65 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 1.21 3.62 0.46 -0.24 0.04 -1.26 -5.04 135.00 133.78 1juq s PRO 148 Ca 0.79 0.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 1juq s PRO 148 Cb -0.64 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 1juq s PRO 148 CO 0.37 -0.45 0.99 -1.25 0.04 0.00 0.00 177.00 176.71 1juq s PRO 149 N -4.96 4.02 0.09 0.56 0.04 -1.26 -5.05 135.00 128.44 1juq s PRO 149 Ca 0.53 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.84 1juq s PRO 149 Cb -0.11 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1juq s PRO 149 CO 0.50 -0.23 -0.08 0.96 0.04 0.00 0.00 177.00 178.19 1juq s ILE 150 N -2.09 0.77 0.59 0.56 -4.36 -1.26 -5.00 121.20 110.41 1juq s ILE 150 Ca 0.65 -1.70 -0.19 0.00 -0.26 0.00 0.00 60.65 59.14 1juq s ILE 150 Cb -0.13 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 1juq s ILE 150 CO 0.17 -0.68 1.13 -2.65 0.24 0.00 0.00 174.94 173.14 1juq n PRO 151 N 0.41 1.15 -2.26 0.37 -0.02 -1.26 -4.87 135.00 128.51 1juq n PRO 151 Ca -0.15 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 1juq n PRO 151 Cb 0.59 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1juq n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1juq s VAL 152 N -1.42 3.81 -0.30 -1.45 1.01 -1.26 -4.95 120.40 115.85 1juq s VAL 152 Ca 0.76 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1juq s VAL 152 Cb -0.42 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.01 1juq s VAL 152 CO 0.47 -0.63 0.07 -0.62 0.00 0.00 0.00 175.10 174.39 1juq s ASP 153 N 4.33 4.03 0.00 3.32 -1.08 -1.26 -4.99 116.67 121.02 1juq s ASP 153 Ca 0.66 -1.60 0.12 0.00 -0.52 0.00 0.00 52.55 51.21 1juq s ASP 153 Cb -0.17 -0.99 0.58 0.00 -1.46 0.00 0.00 42.92 40.89 1juq s ASP 153 CO 0.32 -0.38 1.35 0.54 0.52 0.00 0.00 175.17 177.52 1juq n ARG 154 N 4.76 0.09 0.00 4.34 1.74 -1.26 -1.86 116.66 124.48 1juq n ARG 154 Ca -0.03 0.23 0.13 0.00 -0.77 0.00 0.00 57.85 57.41 1juq n ARG 154 Cb 0.43 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 31.05 1juq n ARG 154 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1juq n THR 155 N -1.39 0.12 -0.09 0.55 -2.24 -1.26 -3.41 114.28 106.55 1juq n THR 155 Ca 0.05 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1juq n THR 155 Cb 0.12 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1juq n THR 155 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1juq n LEU 156 N -1.27 4.65 0.00 3.22 4.77 -0.77 -5.01 117.00 122.59 1juq n LEU 156 Ca 0.13 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 1juq n LEU 156 Cb 0.21 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1juq n LEU 156 CO 0.20 0.86 0.00 -0.38 -1.33 0.00 0.00 177.39 176.74