#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2htd s LYS 2 N nan 0.72 0.22 1.61 0.00 0.10 -4.99 119.74 nan 2htd s LYS 2 Ca nan 0.00 -0.32 0.00 0.00 0.00 0.00 55.97 nan 2htd s LYS 2 Cb nan 0.34 -0.12 0.00 0.00 0.00 0.00 37.83 nan 2htd s LYS 2 CO nan -0.26 1.71 1.63 0.00 0.00 0.00 175.35 nan 2htd n LYS 3 N 0.41 2.77 0.00 1.78 5.02 -1.26 -1.36 118.16 125.52 2htd n LYS 3 Ca -0.11 1.00 0.12 0.00 -2.02 0.00 0.00 58.31 57.30 2htd n LYS 3 Cb 0.59 -2.83 0.23 0.00 -0.02 0.00 0.00 35.03 32.99 2htd n LYS 3 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2htd n LEU 4 N 3.75 1.49 -3.28 -0.35 4.77 0.12 -4.91 117.00 118.58 2htd n LEU 4 Ca 0.15 -0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 55.47 2htd n LEU 4 Cb 0.35 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2htd n LEU 4 CO 0.64 0.28 0.13 0.59 -1.33 0.00 0.00 177.39 177.69 2htd n ASN 5 N -0.32 -2.82 -3.60 -1.43 5.03 -1.26 -5.02 115.26 105.84 2htd n ASN 5 Ca 0.11 -0.56 -0.13 0.00 0.87 0.00 0.00 54.58 54.88 2htd n ASN 5 Cb 0.40 -4.78 -0.05 0.00 -1.02 0.00 0.00 39.78 34.33 2htd n ASN 5 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2htd s THR 6 N -3.33 0.05 -0.21 3.41 -1.32 -1.26 -5.03 115.64 107.94 2htd s THR 6 Ca 0.11 -0.37 0.15 0.00 -1.21 0.00 0.00 61.69 60.36 2htd s THR 6 Cb -0.05 -1.02 0.53 0.00 -1.51 0.00 0.00 72.50 70.46 2htd s THR 6 CO 0.68 -0.21 1.45 -0.46 -2.21 0.00 0.00 174.62 173.87 2htd n ASN 7 N 0.22 3.62 -4.03 8.08 0.23 -1.26 -2.07 115.26 120.05 2htd n ASN 7 Ca -0.18 -3.18 -0.29 0.00 -0.53 0.00 0.00 54.58 50.40 2htd n ASN 7 Cb 0.61 -0.57 -0.17 0.00 -2.08 0.00 0.00 39.78 37.58 2htd n ASN 7 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2htd s LYS 8 N -2.93 2.19 0.44 -3.83 1.02 -1.26 -4.14 119.74 111.23 2htd s LYS 8 Ca 0.43 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.64 2htd s LYS 8 Cb 0.36 -1.95 -0.08 0.00 -0.52 0.00 0.00 37.83 35.65 2htd s LYS 8 CO 0.07 -0.15 1.29 -0.51 -0.92 0.00 0.00 175.35 175.14 2htd s LEU 9 N 1.25 4.11 0.75 3.17 1.43 0.21 -4.99 118.68 124.61 2htd s LEU 9 Ca -0.01 2.62 -0.10 0.00 -1.03 0.00 0.00 54.13 55.61 2htd s LEU 9 Cb -0.14 -4.02 0.06 0.00 0.03 0.00 0.00 46.19 42.12 2htd s LEU 9 CO -0.06 -0.99 1.10 0.42 0.23 0.00 0.00 176.35 177.05 2htd s THR 10 N -1.32 2.41 0.23 5.49 -4.23 -1.26 -4.84 115.64 112.12 2htd s THR 10 Ca 0.61 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.05 2htd s THR 10 Cb -0.37 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.55 2htd s THR 10 CO 0.47 -0.13 1.83 -0.08 -0.54 0.00 0.00 174.62 176.17 2htd h GLU 11 N -0.82 0.83 -0.96 3.99 4.57 -1.99 -0.16 114.58 120.04 2htd h GLU 11 Ca -0.45 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 57.71 2htd h GLU 11 Cb 1.31 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.66 2htd h GLU 11 CO 0.64 0.55 0.63 0.93 -1.18 0.00 0.00 179.01 180.58 2htd h GLU 12 N 0.85 1.19 -0.14 1.92 3.07 -1.99 -1.52 114.58 117.96 2htd h GLU 12 Ca 0.35 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.94 2htd h GLU 12 Cb 0.19 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2htd h GLU 12 CO -0.18 0.79 -0.72 1.96 -1.40 0.00 0.00 179.01 179.46 2htd h GLN 13 N 1.23 0.64 -0.38 2.33 4.20 -1.65 -0.63 115.11 120.85 2htd h GLN 13 Ca 0.37 -0.50 0.07 0.00 0.06 0.00 0.00 58.65 58.65 2htd h GLN 13 Cb -0.03 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 2htd h GLN 13 CO -0.11 1.12 -0.01 0.28 -0.67 0.00 0.00 178.83 179.44 2htd h VAL 14 N 0.45 0.71 -0.38 -0.54 2.07 -0.78 -1.71 116.25 116.07 2htd h VAL 14 Ca -0.03 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2htd h VAL 14 Cb 1.32 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2htd h VAL 14 CO 0.14 0.02 0.02 0.78 0.02 0.00 0.00 177.57 178.55 2htd h ASN 15 N 0.09 0.56 -0.51 0.57 2.35 -1.02 -0.76 115.58 116.87 2htd h ASN 15 Ca 0.18 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2htd h ASN 15 Cb 0.26 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 2htd h ASN 15 CO -0.31 0.61 0.29 -0.07 -1.65 0.00 0.00 177.43 176.31 2htd h LEU 16 N 0.57 0.47 -1.10 1.61 3.38 -0.65 -0.42 115.31 119.16 2htd h LEU 16 Ca 0.12 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2htd h LEU 16 Cb 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2htd h LEU 16 CO 0.01 0.33 0.03 -0.26 0.09 0.00 0.00 178.44 178.64 2htd h PHE 17 N 0.58 0.69 -0.24 1.13 0.04 -0.85 -2.69 116.94 115.60 2htd h PHE 17 Ca 0.21 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 60.74 2htd h PHE 17 Cb 0.04 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2htd h PHE 17 CO -0.07 0.64 -0.52 -0.22 -0.60 0.00 0.00 178.31 177.54 2htd h LYS 18 N 0.63 0.67 -0.08 1.51 3.64 -0.47 -3.35 116.57 119.11 2htd h LYS 18 Ca 0.13 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2htd h LYS 18 Cb 0.35 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2htd h LYS 18 CO 0.01 1.02 0.00 0.09 -2.27 0.00 0.00 179.45 178.30 2htd n ASN 19 N -3.99 2.60 -4.15 4.20 3.02 -0.23 -4.97 115.26 111.74 2htd n ASN 19 Ca -0.03 -1.78 -0.14 0.00 -0.03 0.00 0.00 54.58 52.61 2htd n ASN 19 Cb 0.59 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.62 2htd n ASN 19 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2htd s ASN 20 N -1.44 1.30 0.08 6.41 0.01 -1.02 -5.06 114.94 115.21 2htd s ASN 20 Ca 0.23 -0.78 -0.31 0.00 -0.71 0.00 0.00 52.86 51.29 2htd s ASN 20 Cb 0.15 0.02 -0.08 0.00 0.41 0.00 0.00 41.25 41.76 2htd s ASN 20 CO 0.23 -0.27 1.46 -0.22 -1.51 0.00 0.00 177.10 176.79 2htd s LEU 21 N -2.33 4.35 -0.02 0.60 2.96 -1.26 -4.82 118.68 118.17 2htd s LEU 21 Ca 0.03 2.33 -0.13 0.00 -0.22 0.00 0.00 54.13 56.13 2htd s LEU 21 Cb -0.03 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 2htd s LEU 21 CO -0.00 -0.73 0.36 -0.69 -1.32 0.00 0.00 176.35 173.96 2htd s VAL 22 N 1.76 5.11 -0.03 1.68 1.01 -1.26 -4.50 120.40 124.18 2htd s VAL 22 Ca 0.67 0.71 0.04 0.00 0.00 0.00 0.00 61.98 63.40 2htd s VAL 22 Cb -0.37 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2htd s VAL 22 CO 0.30 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.51 2htd s TYR 23 N -1.09 2.69 0.04 5.22 1.51 -0.61 -0.92 117.35 124.19 2htd s TYR 23 Ca 0.23 -0.17 0.08 0.00 -1.01 0.00 0.00 57.07 56.20 2htd s TYR 23 Cb -0.16 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 2htd s TYR 23 CO 0.12 0.22 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.39 2htd s LEU 24 N -0.93 2.44 0.01 -1.29 0.20 0.18 -1.26 118.68 118.03 2htd s LEU 24 Ca 0.13 -0.49 0.02 0.00 0.69 0.00 0.00 54.13 54.47 2htd s LEU 24 Cb -0.11 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.22 2htd s LEU 24 CO 0.02 0.26 -0.06 0.00 -0.29 0.00 0.00 176.35 176.27 2htd s ALA 25 N -0.88 0.50 0.27 5.97 0.00 0.22 -0.85 121.76 127.00 2htd s ALA 25 Ca 0.13 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.73 2htd s ALA 25 Cb -0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2htd s ALA 25 CO 0.04 0.08 0.19 0.95 0.00 0.00 0.00 175.76 177.02 2htd s THR 26 N -0.49 0.07 0.03 0.00 -4.23 -0.69 -1.30 115.64 109.04 2htd s THR 26 Ca -0.01 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2htd s THR 26 Cb -0.04 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2htd s THR 26 CO -0.00 0.00 -0.15 0.68 -0.54 0.00 0.00 174.62 174.61 2htd s VAL 27 N -3.76 1.15 1.02 2.29 -7.23 -1.26 -0.39 120.40 112.22 2htd s VAL 27 Ca 0.39 -0.96 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 2htd s VAL 27 Cb 0.05 -1.03 0.21 0.00 0.56 0.00 0.00 36.38 36.17 2htd s VAL 27 CO 0.19 0.06 1.24 1.51 -0.31 0.00 0.00 175.10 177.80 2htd s ASP 28 N -1.02 2.57 0.50 4.85 1.47 -0.22 -4.54 116.67 120.27 2htd s ASP 28 Ca 0.03 0.46 0.32 0.00 1.18 0.00 0.00 52.55 54.53 2htd s ASP 28 Cb -0.08 -0.63 1.27 0.00 -0.34 0.00 0.00 42.92 43.14 2htd s ASP 28 CO 0.01 -3.09 1.93 0.00 0.68 0.00 0.00 175.17 174.70 2htd h ALA 29 N -1.88 1.00 -0.00 2.11 0.00 -1.91 -0.20 119.26 118.37 2htd h ALA 29 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2htd h ALA 29 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2htd h ALA 29 CO 0.40 0.00 -0.30 -0.25 0.00 0.00 0.00 179.25 179.10 2htd n ASP 30 N -2.94 0.57 0.00 0.00 9.92 -1.26 -4.97 116.55 117.87 2htd n ASP 30 Ca 0.01 -0.38 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 2htd n ASP 30 Cb 0.30 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 2htd n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2htd n GLY 31 N 1.42 0.67 3.72 0.44 0.00 -0.09 -5.06 105.19 106.29 2htd n GLY 31 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2htd n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2htd s ASN 32 N -2.71 6.95 0.61 1.61 0.01 -1.26 -4.66 114.94 115.49 2htd s ASN 32 Ca 0.00 2.18 -0.13 0.00 -0.71 0.00 0.00 52.86 54.20 2htd s ASN 32 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 2htd s ASN 32 CO 0.00 -0.55 1.04 -2.16 -1.51 0.00 0.00 177.10 173.91 2htd s PRO 33 N 0.99 3.42 0.03 -0.60 0.04 -1.26 -1.05 135.00 136.56 2htd s PRO 33 Ca 0.61 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2htd s PRO 33 Cb -0.33 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2htd s PRO 33 CO 0.30 -0.71 -0.06 -1.14 0.04 0.00 0.00 177.00 175.42 2htd s GLN 34 N -4.62 0.46 -0.12 4.56 -0.44 0.47 -4.90 119.66 115.06 2htd s GLN 34 Ca 0.59 -0.63 -0.17 0.00 -2.50 0.00 0.00 55.36 52.65 2htd s GLN 34 Cb -0.13 -0.23 0.04 0.00 -1.64 0.00 0.00 33.01 31.05 2htd s GLN 34 CO 0.45 0.04 0.44 0.54 0.50 0.00 0.00 175.29 177.26 2htd s VAL 35 N -1.17 0.01 -0.05 1.34 0.11 -1.26 -1.70 120.40 117.68 2htd s VAL 35 Ca -0.09 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 2htd s VAL 35 Cb -0.09 -0.67 0.11 0.00 -1.53 0.00 0.00 36.38 34.21 2htd s VAL 35 CO 0.00 -0.06 0.95 -0.83 -3.33 0.00 0.00 175.10 171.83 2htd s GLY 36 N -0.27 -0.42 0.48 6.54 0.00 -0.03 -5.00 107.32 108.64 2htd s GLY 36 Ca -0.04 1.22 -0.21 0.00 0.00 0.00 0.00 44.72 45.69 2htd s GLY 36 CO 0.02 0.44 1.07 2.56 0.00 0.00 0.00 173.10 177.19 2htd s PRO 37 N -2.79 3.76 -0.40 2.90 0.04 -1.26 -0.65 135.00 136.61 2htd s PRO 37 Ca 0.05 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.56 2htd s PRO 37 Cb -0.01 -2.16 0.14 0.00 0.04 0.00 0.00 34.50 32.52 2htd s PRO 37 CO -0.07 -0.48 0.24 0.21 0.04 0.00 0.00 177.00 176.93 2htd s LYS 38 N -3.11 0.90 0.50 4.56 2.47 -0.10 -4.85 119.74 120.11 2htd s LYS 38 Ca 0.67 -1.69 0.26 0.00 -1.56 0.00 0.00 55.97 53.66 2htd s LYS 38 Cb -0.19 -1.75 1.34 0.00 -1.46 0.00 0.00 37.83 35.77 2htd s LYS 38 CO 0.23 -1.20 2.02 0.78 0.16 0.00 0.00 175.35 177.34 2htd h GLY 39 N 6.78 0.00 -7.11 5.54 0.00 -1.96 -3.38 103.07 102.93 2htd h GLY 39 Ca 0.05 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.80 2htd h GLY 39 CO 0.36 0.00 0.78 -1.35 0.00 0.00 0.00 176.54 176.34 2htd s SER 40 N -6.19 6.33 0.00 0.19 1.04 -1.26 -4.99 113.70 108.83 2htd s SER 40 Ca -0.02 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2htd s SER 40 Cb 0.13 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2htd s SER 40 CO 0.60 -1.43 0.00 0.41 0.98 0.00 0.00 173.24 173.79 2htd n THR 42 N 6.36 0.00 -2.71 2.02 -1.04 0.53 -4.44 114.28 115.00 2htd n THR 42 Ca 0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 2htd n THR 42 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 2htd n THR 42 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2htd s VAL 43 N -0.51 4.82 -0.15 12.58 1.01 -1.26 -0.12 120.40 136.77 2htd s VAL 43 Ca 0.00 2.02 -0.06 0.00 0.00 0.00 0.00 61.98 63.94 2htd s VAL 43 Cb 0.00 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 2htd s VAL 43 CO 0.00 0.07 0.24 0.18 0.00 0.00 0.00 175.10 175.59 2htd n LEU 44 N 4.60 2.68 -3.83 3.92 4.77 -0.03 -4.93 117.00 124.18 2htd n LEU 44 Ca 0.07 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2htd n LEU 44 Cb 0.50 -1.08 0.02 0.00 -2.33 0.00 0.00 43.42 40.53 2htd n LEU 44 CO 0.52 0.85 0.59 1.51 -1.33 0.00 0.00 177.39 179.53 2htd s ASP 45 N -6.94 -0.04 0.17 -1.43 1.47 -1.00 -4.99 116.67 103.92 2htd s ASP 45 Ca -0.25 -0.94 0.14 0.00 1.18 0.00 0.00 52.55 52.68 2htd s ASP 45 Cb 0.07 0.75 0.72 0.00 -0.34 0.00 0.00 42.92 44.11 2htd s ASP 45 CO 0.73 -1.46 1.44 -2.65 0.68 0.00 0.00 175.17 173.91 2htd n PRO 46 N -0.55 0.09 -0.01 2.11 -0.02 -1.26 -2.29 135.00 133.06 2htd n PRO 46 Ca -0.07 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 61.94 2htd n PRO 46 Cb 0.60 -1.75 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2htd n PRO 46 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2htd n SER 47 N -1.93 1.77 -3.80 2.55 7.64 -1.26 -0.62 113.62 117.97 2htd n SER 47 Ca 0.00 -1.69 -0.13 0.00 1.01 0.00 0.00 58.87 58.06 2htd n SER 47 Cb 0.07 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 2htd n SER 47 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2htd s HIS 48 N -0.70 -0.12 0.41 1.43 3.76 -0.97 -0.83 115.29 118.26 2htd s HIS 48 Ca 0.02 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.34 2htd s HIS 48 Cb 0.01 -0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.59 2htd s HIS 48 CO 0.02 -0.10 0.01 -0.51 -0.85 0.00 0.00 174.74 173.31 2htd s LEU 49 N 0.57 2.82 -0.14 0.89 1.43 -0.26 -0.85 118.68 123.15 2htd s LEU 49 Ca -0.04 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.52 2htd s LEU 49 Cb -0.06 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.34 2htd s LEU 49 CO -0.02 -0.47 0.44 -1.58 0.23 0.00 0.00 176.35 174.95 2htd s GLN 50 N -3.73 0.56 0.24 1.70 0.74 0.83 -0.58 119.66 119.42 2htd s GLN 50 Ca 0.35 0.51 -0.01 0.00 0.05 0.00 0.00 55.36 56.26 2htd s GLN 50 Cb 0.10 0.27 -0.03 0.00 1.10 0.00 0.00 33.01 34.44 2htd s GLN 50 CO 0.18 -0.09 0.21 1.52 -0.55 0.00 0.00 175.29 176.56 2htd s TYR 51 N -0.00 1.18 -0.12 1.67 1.13 -0.40 -0.35 117.35 120.46 2htd s TYR 51 Ca -0.02 -1.36 -0.04 0.00 -1.41 0.00 0.00 57.07 54.25 2htd s TYR 51 Cb -0.03 -0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 40.31 2htd s TYR 51 CO 0.01 -0.75 0.03 -0.51 -2.51 0.00 0.00 175.55 171.82 2htd s LEU 52 N -3.19 3.69 -0.49 -3.49 1.43 -1.26 -1.09 118.68 114.28 2htd s LEU 52 Ca 0.37 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 2htd s LEU 52 Cb 0.05 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.52 2htd s LEU 52 CO 0.15 0.32 0.39 -0.70 0.23 0.00 0.00 176.35 176.74 2htd s GLU 53 N -0.51 2.62 -0.00 1.70 2.56 0.94 -4.90 118.70 121.10 2htd s GLU 53 Ca 0.09 -1.75 0.15 0.00 0.00 0.00 0.00 54.97 53.46 2htd s GLU 53 Cb -0.12 -4.03 -0.19 0.00 2.00 0.00 0.00 34.13 31.79 2htd s GLU 53 CO 0.02 -1.23 0.71 1.63 -0.56 0.00 0.00 175.26 175.83 2htd n LYS 54 N 5.00 0.63 -0.03 4.30 5.02 -1.26 -1.28 118.16 130.54 2htd n LYS 54 Ca -0.10 0.25 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 2htd n LYS 54 Cb 0.41 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 2htd n LYS 54 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2htd n THR 55 N -2.96 0.31 -3.56 -0.18 -2.24 -1.26 -4.90 114.28 99.49 2htd n THR 55 Ca -0.14 -0.40 -0.21 0.00 -2.27 0.00 0.00 64.05 61.03 2htd n THR 55 Cb 0.96 -0.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.13 2htd n THR 55 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2htd n LYS 56 N -2.16 -4.19 0.00 -0.78 5.02 -1.26 -5.00 118.16 109.79 2htd n LYS 56 Ca -0.09 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2htd n LYS 56 Cb 0.56 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 2htd n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2htd n GLY 57 N -1.44 1.35 0.18 0.72 0.00 -1.26 -4.82 105.19 99.93 2htd n GLY 57 Ca -0.23 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 2htd n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2htd h GLU 58 N 0.00 0.66 -0.56 1.61 4.81 -1.99 -1.82 114.58 117.29 2htd h GLU 58 Ca 0.00 -0.78 0.05 0.00 -0.13 0.00 0.00 59.36 58.50 2htd h GLU 58 Cb 0.00 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2htd h GLU 58 CO 0.00 1.35 0.28 0.00 -0.73 0.00 0.00 179.01 179.91 2htd h ALA 59 N 0.34 0.72 -0.18 2.92 0.00 -1.97 0.24 119.26 121.33 2htd h ALA 59 Ca -0.16 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2htd h ALA 59 Cb 1.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2htd h ALA 59 CO 0.22 -0.06 0.05 -0.92 0.00 0.00 0.00 179.25 178.54 2htd h TYR 60 N 0.54 0.10 -0.68 0.00 3.20 -1.88 -0.32 116.97 117.93 2htd h TYR 60 Ca 0.25 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2htd h TYR 60 Cb 0.17 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2htd h TYR 60 CO -0.10 0.05 0.30 0.93 -1.64 0.00 0.00 178.16 177.69 2htd h GLU 61 N 0.14 0.98 -0.41 1.82 4.39 -0.86 -0.50 114.58 120.14 2htd h GLU 61 Ca 0.08 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2htd h GLU 61 Cb 0.05 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2htd h GLU 61 CO -0.08 0.78 -0.24 -0.91 -1.16 0.00 0.00 179.01 177.40 2htd h ASN 62 N 0.97 0.92 -0.65 1.42 2.35 -0.50 -2.84 115.58 117.25 2htd h ASN 62 Ca 0.23 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2htd h ASN 62 Cb 0.14 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2htd h ASN 62 CO -0.03 1.14 0.18 0.40 -1.65 0.00 0.00 177.43 177.48 2htd h ILE 63 N 0.71 1.25 -0.45 2.81 2.04 -0.82 -1.14 117.51 121.91 2htd h ILE 63 Ca 0.09 -0.89 0.11 0.00 1.00 0.00 0.00 64.86 65.16 2htd h ILE 63 Cb 0.81 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2htd h ILE 63 CO 0.07 0.34 0.32 0.50 0.00 0.00 0.00 178.15 179.38 2htd h LYS 64 N 0.95 0.11 -0.21 2.37 3.64 -0.97 -0.62 116.57 121.84 2htd h LYS 64 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2htd h LYS 64 Cb 0.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2htd h LYS 64 CO -0.00 0.07 0.00 0.54 -2.27 0.00 0.00 179.45 177.79 2htd n ARG 65 N -4.43 2.19 0.00 1.90 1.74 -0.93 -4.94 116.66 112.18 2htd n ARG 65 Ca 0.07 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 2htd n ARG 65 Cb 0.45 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2htd n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2htd n GLY 66 N 1.35 1.20 3.70 -0.13 0.00 -0.24 -4.97 105.19 106.10 2htd n GLY 66 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2htd n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2htd n SER 67 N 0.00 3.22 -4.63 1.61 2.88 -0.48 -4.98 113.62 111.24 2htd n SER 67 Ca 0.00 1.15 -0.29 0.00 -1.33 0.00 0.00 58.87 58.40 2htd n SER 67 Cb 0.00 -1.50 0.16 0.00 -0.75 0.00 0.00 64.21 62.12 2htd n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2htd s LYS 68 N -0.50 0.73 -0.10 -1.46 1.02 -1.26 -4.62 119.74 113.55 2htd s LYS 68 Ca 0.66 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.92 2htd s LYS 68 Cb -0.58 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2htd s LYS 68 CO 0.50 -2.47 -0.14 0.08 -0.92 0.00 0.00 175.35 172.40 2htd s VAL 69 N -3.23 1.39 -0.11 3.17 1.01 0.14 -4.49 120.40 118.28 2htd s VAL 69 Ca 0.65 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2htd s VAL 69 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2htd s VAL 69 CO 0.54 0.42 0.10 0.00 0.00 0.00 0.00 175.10 176.16 2htd s ALA 70 N 0.90 3.69 0.08 5.51 0.00 -0.42 -0.53 121.76 130.99 2htd s ALA 70 Ca -0.09 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2htd s ALA 70 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2htd s ALA 70 CO 0.00 0.61 -0.17 -0.51 0.00 0.00 0.00 175.76 175.70 2htd s LEU 71 N -1.00 2.27 -0.01 0.00 1.43 -0.26 -0.61 118.68 120.51 2htd s LEU 71 Ca 0.15 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2htd s LEU 71 Cb -0.12 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2htd s LEU 71 CO 0.04 -0.01 -0.09 0.54 0.23 0.00 0.00 176.35 177.06 2htd s VAL 72 N -1.17 0.73 -0.29 -1.59 0.11 -0.39 -0.94 120.40 116.87 2htd s VAL 72 Ca 0.02 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.67 2htd s VAL 72 Cb -0.10 -0.62 0.08 0.00 -1.53 0.00 0.00 36.38 34.21 2htd s VAL 72 CO 0.03 0.19 -0.00 0.00 -3.33 0.00 0.00 175.10 171.99 2htd s ALA 73 N -0.25 2.37 -0.11 1.54 0.00 -0.42 -1.58 121.76 123.32 2htd s ALA 73 Ca 0.03 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 50.07 2htd s ALA 73 Cb -0.04 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2htd s ALA 73 CO -0.00 -1.46 -0.16 0.00 0.00 0.00 0.00 175.76 174.14 2htd s ALA 74 N 1.18 2.52 -0.82 0.00 0.00 -1.26 -1.32 121.76 122.06 2htd s ALA 74 Ca 0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 2htd s ALA 74 Cb -0.19 -1.06 0.21 0.00 0.00 0.00 0.00 23.12 22.08 2htd s ALA 74 CO -0.10 0.32 0.72 0.34 0.00 0.00 0.00 175.76 177.04 2htd s ASP 75 N 0.13 6.31 0.13 0.00 -1.08 -0.04 -4.75 116.67 117.36 2htd s ASP 75 Ca -0.08 -2.98 -0.15 0.00 -0.52 0.00 0.00 52.55 48.82 2htd s ASP 75 Cb -0.15 -2.07 -0.01 0.00 -1.46 0.00 0.00 42.92 39.22 2htd s ASP 75 CO 0.05 -0.43 1.61 0.58 0.52 0.00 0.00 175.17 177.50 2htd h VAL 76 N 4.69 1.24 -0.95 1.11 2.07 -1.97 -1.97 116.25 120.46 2htd h VAL 76 Ca 0.09 -0.84 0.11 0.00 0.82 0.00 0.00 66.70 66.87 2htd h VAL 76 Cb 0.97 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2htd h VAL 76 CO 0.78 0.29 0.61 -0.65 0.02 0.00 0.00 177.57 178.62 2htd h PRO 77 N 0.52 0.91 -0.10 1.57 0.11 -1.94 -2.36 132.00 130.71 2htd h PRO 77 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2htd h PRO 77 Cb 0.35 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2htd h PRO 77 CO 0.01 0.60 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 2htd n SER 78 N -4.56 1.53 -3.68 -2.05 7.64 -0.86 -4.93 113.62 106.70 2htd n SER 78 Ca 0.17 -1.61 -0.24 0.00 1.01 0.00 0.00 58.87 58.20 2htd n SER 78 Cb 0.33 -0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.53 2htd n SER 78 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2htd n HIS 79 N 0.21 -2.40 -4.23 1.43 8.25 -0.80 -5.01 115.22 112.67 2htd n HIS 79 Ca 0.17 0.94 -0.19 0.00 -0.26 0.00 0.00 57.72 58.39 2htd n HIS 79 Cb 0.33 -4.62 -0.12 0.00 1.12 0.00 0.00 29.99 26.69 2htd n HIS 79 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2htd s THR 80 N -3.39 1.07 -0.05 1.59 -4.23 -1.07 -5.05 115.64 104.52 2htd s THR 80 Ca 0.39 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 2htd s THR 80 Cb -0.18 -1.01 0.10 0.00 1.34 0.00 0.00 72.50 72.75 2htd s THR 80 CO 0.77 -0.15 0.87 0.00 -0.54 0.00 0.00 174.62 175.58 2htd s ALA 81 N -1.11 -1.83 0.01 3.99 0.00 -1.26 -0.87 121.76 120.70 2htd s ALA 81 Ca -0.01 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2htd s ALA 81 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2htd s ALA 81 CO 0.02 -0.54 -0.03 0.54 0.00 0.00 0.00 175.76 175.75 2htd s VAL 82 N -2.30 0.19 0.08 0.00 0.11 -0.43 -4.76 120.40 113.29 2htd s VAL 82 Ca 0.01 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.57 2htd s VAL 82 Cb -0.01 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 2htd s VAL 82 CO -0.04 -0.23 -0.17 -0.60 -3.33 0.00 0.00 175.10 170.73 2htd s ARG 83 N -0.82 0.95 0.08 1.54 3.52 -0.38 -1.30 118.95 122.54 2htd s ARG 83 Ca -0.07 -1.03 0.04 0.00 -0.13 0.00 0.00 55.73 54.54 2htd s ARG 83 Cb -0.06 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 2htd s ARG 83 CO -0.00 0.24 -0.11 0.14 -0.81 0.00 0.00 175.30 174.76 2htd s VAL 84 N -1.21 0.94 -0.11 7.11 -7.23 -0.12 -0.46 120.40 119.32 2htd s VAL 84 Ca 0.02 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2htd s VAL 84 Cb -0.10 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 2htd s VAL 84 CO 0.03 -0.38 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.11 2htd s LEU 85 N -1.97 2.88 0.06 1.32 2.96 -0.44 -1.10 118.68 122.39 2htd s LEU 85 Ca -0.01 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 2htd s LEU 85 Cb -0.07 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2htd s LEU 85 CO 0.01 0.24 0.11 0.00 -1.32 0.00 0.00 176.35 175.38 2htd s ALA 86 N -0.06 -0.01 -0.05 5.97 0.00 0.31 -0.10 121.76 127.81 2htd s ALA 86 Ca -0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2htd s ALA 86 Cb -0.14 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2htd s ALA 86 CO 0.03 -0.40 0.18 0.99 0.00 0.00 0.00 175.76 176.57 2htd s THR 87 N -3.35 5.44 0.07 0.00 2.01 -0.44 -0.68 115.64 118.70 2htd s THR 87 Ca 0.01 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 2htd s THR 87 Cb 0.03 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 2htd s THR 87 CO -0.08 0.45 0.27 0.00 -0.69 0.00 0.00 174.62 174.57 2htd s ALA 88 N -1.20 3.91 -0.14 7.40 0.00 -1.26 -0.68 121.76 129.79 2htd s ALA 88 Ca 0.23 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2htd s ALA 88 Cb -0.13 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2htd s ALA 88 CO 0.13 0.74 -0.13 -2.00 0.00 0.00 0.00 175.76 174.50 2htd s GLU 89 N -2.40 2.14 -0.22 0.00 2.56 0.37 -4.99 118.70 116.16 2htd s GLU 89 Ca 0.35 -0.50 -0.12 0.00 0.00 0.00 0.00 54.97 54.71 2htd s GLU 89 Cb -0.13 -1.99 -0.05 0.00 2.00 0.00 0.00 34.13 33.96 2htd s GLU 89 CO 0.24 -0.23 0.22 0.08 -0.56 0.00 0.00 175.26 175.01 2htd s VAL 90 N 1.51 5.32 -0.29 3.70 1.01 -1.26 -0.88 120.40 129.50 2htd s VAL 90 Ca 0.04 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 2htd s VAL 90 Cb -0.13 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.74 2htd s VAL 90 CO -0.10 0.34 -0.01 -1.00 0.00 0.00 0.00 175.10 174.34 2htd s HIS 91 N 0.97 3.23 -0.17 5.22 3.76 0.55 -5.01 115.29 123.85 2htd s HIS 91 Ca 0.11 -1.80 -0.14 0.00 -0.15 0.00 0.00 55.06 53.08 2htd s HIS 91 Cb -0.13 -2.11 -0.09 0.00 1.11 0.00 0.00 32.58 31.36 2htd s HIS 91 CO 0.04 -0.79 -0.04 0.39 -0.85 0.00 0.00 174.74 173.49 2htd n GLU 92 N 4.64 0.49 -2.73 1.40 1.02 -1.26 -1.27 120.64 122.93 2htd n GLU 92 Ca -0.14 0.54 -0.02 0.00 -0.02 0.00 0.00 57.16 57.53 2htd n GLU 92 Cb 0.44 -1.71 0.10 0.00 -0.02 0.00 0.00 31.44 30.25 2htd n GLU 92 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2htd n ASP 93 N -4.55 -0.38 -4.31 1.62 2.03 -1.26 -4.66 116.55 105.05 2htd n ASP 93 Ca -0.16 -2.18 -0.27 0.00 0.52 0.00 0.00 54.79 52.70 2htd n ASP 93 Cb 0.42 0.27 0.16 0.00 -0.72 0.00 0.00 41.12 41.26 2htd n ASP 93 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2htd s ASP 94 N -2.10 3.52 0.40 1.67 1.47 -1.26 -4.86 116.67 115.52 2htd s ASP 94 Ca 0.16 -0.18 0.07 0.00 1.18 0.00 0.00 52.55 53.79 2htd s ASP 94 Cb 0.40 0.06 0.84 0.00 -0.34 0.00 0.00 42.92 43.89 2htd s ASP 94 CO -0.09 -2.44 2.04 0.44 0.68 0.00 0.00 175.17 175.80 2htd h ASP 95 N -1.17 0.45 -0.09 2.11 3.32 -1.99 -1.85 116.42 117.20 2htd h ASP 95 Ca -0.39 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 2htd h ASP 95 Cb 1.24 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 2htd h ASP 95 CO 0.35 0.36 0.01 0.22 -1.72 0.00 0.00 179.24 178.46 2htd h TYR 96 N 0.52 0.16 -0.67 4.55 3.20 -1.99 -1.38 116.97 121.35 2htd h TYR 96 Ca 0.14 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2htd h TYR 96 Cb 0.00 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2htd h TYR 96 CO 0.00 0.37 0.37 0.00 -1.64 0.00 0.00 178.16 177.26 2htd h ALA 97 N 0.77 0.89 -0.58 1.82 0.00 -1.75 -1.24 119.26 119.18 2htd h ALA 97 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2htd h ALA 97 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2htd h ALA 97 CO 0.00 0.05 0.24 0.87 0.00 0.00 0.00 179.25 180.42 2htd h LYS 98 N 0.69 0.85 -0.49 0.00 1.57 -1.09 0.14 116.57 118.24 2htd h LYS 98 Ca 0.30 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2htd h LYS 98 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2htd h LYS 98 CO -0.18 0.72 0.30 -0.22 -0.57 0.00 0.00 179.45 179.50 2htd h LYS 99 N 0.79 0.58 -0.27 3.15 3.64 -0.65 -1.53 116.57 122.29 2htd h LYS 99 Ca 0.19 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2htd h LYS 99 Cb 0.18 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2htd h LYS 99 CO -0.02 0.39 -0.11 0.28 -2.27 0.00 0.00 179.45 177.72 2htd h VAL 100 N 0.60 1.29 0.00 2.00 2.07 -0.74 -3.18 116.25 118.30 2htd h VAL 100 Ca 0.19 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2htd h VAL 100 Cb -0.01 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2htd h VAL 100 CO -0.07 0.37 0.00 -0.07 0.02 0.00 0.00 177.57 177.82 2htd h LEU 101 N 0.29 0.00 -2.34 2.57 3.38 -0.80 -3.05 115.31 115.36 2htd h LEU 101 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2htd h LEU 101 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2htd h LEU 101 CO 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.52 2htd h ALA 102 N 2.38 1.32 -0.43 1.53 0.00 -1.25 -0.92 119.26 121.89 2htd h ALA 102 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2htd h ALA 102 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2htd h ALA 102 CO 0.00 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.93 2htd n LYS 103 N -3.59 2.48 -4.25 0.00 4.01 -1.15 -4.93 118.16 110.73 2htd n LYS 103 Ca -0.02 -1.74 -0.14 0.00 -0.51 0.00 0.00 58.31 55.90 2htd n LYS 103 Cb 0.14 -1.55 -0.10 0.00 -0.51 0.00 0.00 35.03 33.01 2htd n LYS 103 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2htd s THR 104 N -1.61 0.56 -1.12 -0.18 -4.23 -0.35 -5.03 115.64 103.68 2htd s THR 104 Ca 0.32 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.91 2htd s THR 104 Cb 0.19 -2.26 0.30 0.00 1.34 0.00 0.00 72.50 72.07 2htd s THR 104 CO 0.17 -0.33 1.06 -1.84 -0.54 0.00 0.00 174.62 173.14 2htd n GLU 105 N -0.28 2.25 -3.16 3.99 -0.00 -1.26 -4.61 120.64 117.57 2htd n GLU 105 Ca -0.04 -1.17 -0.26 0.00 -0.00 0.00 0.00 57.16 55.69 2htd n GLU 105 Cb 0.64 -1.62 -0.06 0.00 -0.00 0.00 0.00 31.44 30.41 2htd n GLU 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2htd n PHE 106 N 0.28 3.07 0.35 -1.84 3.72 -1.26 -4.92 117.46 116.85 2htd n PHE 106 Ca 0.10 -4.00 0.13 0.00 -0.05 0.00 0.00 57.45 53.64 2htd n PHE 106 Cb 0.50 -0.49 0.55 0.00 -0.94 0.00 0.00 39.48 39.10 2htd n PHE 106 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2htd h PRO 107 N 3.50 0.00 -0.45 -1.08 0.13 -1.81 -2.45 132.00 129.84 2htd h PRO 107 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2htd h PRO 107 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2htd h PRO 107 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 2htd n ASN 108 N -2.39 3.21 -4.79 1.44 3.02 -1.26 -4.98 115.26 109.52 2htd n ASN 108 Ca 0.01 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.29 2htd n ASN 108 Cb 0.21 -0.30 0.09 0.00 -0.61 0.00 0.00 39.78 39.18 2htd n ASN 108 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2htd s ALA 109 N -1.03 2.18 0.20 5.41 0.00 -0.93 -5.00 121.76 122.60 2htd s ALA 109 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 2htd s ALA 109 Cb 0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2htd s ALA 109 CO 0.22 -1.78 0.41 -0.06 0.00 0.00 0.00 175.76 174.55 2htd s PHE 110 N -3.07 3.48 -0.20 0.00 0.08 -0.41 -4.91 117.98 112.95 2htd s PHE 110 Ca 0.61 0.39 -0.05 0.00 0.12 0.00 0.00 56.93 58.01 2htd s PHE 110 Cb -0.15 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 2htd s PHE 110 CO 0.55 0.36 -0.01 0.08 -0.10 0.00 0.00 175.22 176.11 2htd s VAL 111 N -1.87 3.85 -0.22 -0.44 1.01 -0.40 -0.04 120.40 122.30 2htd s VAL 111 Ca 0.39 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2htd s VAL 111 Cb -0.11 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2htd s VAL 111 CO 0.29 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 175.04 2htd s VAL 112 N 1.06 2.99 -0.11 2.92 1.01 -0.25 -0.33 120.40 127.69 2htd s VAL 112 Ca 0.02 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2htd s VAL 112 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2htd s VAL 112 CO 0.01 0.41 0.24 0.20 0.00 0.00 0.00 175.10 175.97 2htd s ASN 113 N 1.41 6.49 -0.16 3.32 -0.87 -0.06 -1.27 114.94 123.79 2htd s ASN 113 Ca 0.05 0.58 0.01 0.00 -1.57 0.00 0.00 52.86 51.92 2htd s ASN 113 Cb -0.14 -2.14 0.01 0.00 -0.02 0.00 0.00 41.25 38.95 2htd s ASN 113 CO -0.06 0.30 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.84 2htd s LEU 114 N -0.57 2.34 -0.33 0.60 1.43 0.25 -0.48 118.68 121.92 2htd s LEU 114 Ca 0.17 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 2htd s LEU 114 Cb -0.13 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2htd s LEU 114 CO 0.06 0.06 0.34 0.21 0.23 0.00 0.00 176.35 177.24 2htd s ASN 115 N 0.98 6.16 0.12 2.29 2.47 0.15 -1.10 114.94 126.01 2htd s ASN 115 Ca -0.03 -0.19 -0.31 0.00 0.42 0.00 0.00 52.86 52.75 2htd s ASN 115 Cb -0.15 -2.19 -0.08 0.00 -1.45 0.00 0.00 41.25 37.39 2htd s ASN 115 CO -0.04 -0.29 1.39 -0.63 -3.72 0.00 0.00 177.10 173.81 2htd s ILE 116 N 1.97 3.29 -0.21 -5.21 1.01 -0.01 -1.33 121.20 120.72 2htd s ILE 116 Ca 0.11 0.93 0.10 0.00 0.00 0.00 0.00 60.65 61.80 2htd s ILE 116 Cb -0.17 -3.60 -0.20 0.00 0.01 0.00 0.00 42.46 38.51 2htd s ILE 116 CO 0.11 0.08 -0.05 -0.62 0.00 0.00 0.00 174.94 174.46 2htd n GLU 117 N 3.87 0.80 -3.73 2.79 1.02 0.86 -4.83 120.64 121.43 2htd n GLU 117 Ca 0.11 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 2htd n GLU 117 Cb 0.42 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 2htd n GLU 117 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2htd s GLU 118 N -2.46 0.54 -0.05 3.49 2.56 -1.03 -4.46 118.70 117.28 2htd s GLU 118 Ca -0.19 0.46 0.02 0.00 0.00 0.00 0.00 54.97 55.26 2htd s GLU 118 Cb 0.07 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.42 2htd s GLU 118 CO 0.68 -0.09 -0.08 0.08 -0.56 0.00 0.00 175.26 175.29 2htd s VAL 119 N -0.05 3.59 0.02 3.70 1.01 -0.88 -1.33 120.40 126.45 2htd s VAL 119 Ca -0.02 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2htd s VAL 119 Cb -0.03 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2htd s VAL 119 CO 0.01 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.13 2htd s PHE 120 N -0.85 1.44 0.00 5.22 0.40 0.39 -0.71 117.98 123.88 2htd s PHE 120 Ca 0.13 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2htd s PHE 120 Cb -0.11 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.53 2htd s PHE 120 CO 0.03 0.02 0.00 0.00 0.70 0.00 0.00 175.22 175.97