#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2d h VAL 3 N 0.00 1.29 -0.47 3.44 -1.51 -2.04 -2.05 116.25 114.92 3h2d h VAL 3 Ca 0.00 -1.06 0.09 0.00 -1.23 0.00 0.00 66.70 64.50 3h2d h VAL 3 Cb 0.00 1.57 -0.09 0.00 -2.13 0.00 0.00 31.29 30.64 3h2d h VAL 3 CO 0.00 0.32 -0.10 -1.13 -1.23 0.00 0.00 177.57 175.43 3h2d h ASN 4 N 0.12 -0.41 0.74 4.19 -1.24 -2.08 -1.13 115.58 115.77 3h2d h ASN 4 Ca 0.05 0.14 -0.25 0.00 0.71 0.00 0.00 56.30 56.95 3h2d h ASN 4 Cb 0.52 0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 3h2d h ASN 4 CO 0.02 -0.15 -1.35 -0.26 -1.29 0.00 0.00 177.43 174.40 3h2d h PHE 5 N 0.01 0.03 0.04 0.67 0.04 -2.05 -3.41 116.94 112.26 3h2d h PHE 5 Ca 0.23 -0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.67 3h2d h PHE 5 Cb 0.35 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3h2d h PHE 5 CO -0.39 1.02 -1.73 0.82 -0.60 0.00 0.00 178.31 177.43 3h2d h ILE 6 N 0.00 0.85 -0.87 -0.55 2.04 -1.08 -3.39 117.51 114.51 3h2d h ILE 6 Ca -0.15 -2.66 0.01 0.00 1.00 0.00 0.00 64.86 63.06 3h2d h ILE 6 Cb 1.90 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 40.41 3h2d h ILE 6 CO 0.11 0.62 0.57 0.78 0.00 0.00 0.00 178.15 180.23 3h2d h ASN 7 N 0.02 1.01 -0.94 1.72 2.35 -1.41 -2.23 115.58 116.10 3h2d h ASN 7 Ca -0.30 -0.03 0.15 0.00 -0.55 0.00 0.00 56.30 55.57 3h2d h ASN 7 Cb 2.01 -0.25 -0.10 0.00 0.05 0.00 0.00 38.32 40.03 3h2d h ASN 7 CO 0.09 0.73 0.54 -0.65 -1.65 0.00 0.00 177.43 176.50 3h2d h PRO 8 N 1.18 0.74 -0.34 0.81 0.11 -1.81 0.12 132.00 132.82 3h2d h PRO 8 Ca 0.32 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.34 3h2d h PRO 8 Cb -0.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.80 3h2d h PRO 8 CO -0.07 0.49 0.04 0.74 -0.21 0.00 0.00 178.00 179.00 3h2d h PHE 9 N 0.76 0.60 -0.50 0.65 0.04 -1.65 0.10 116.94 116.95 3h2d h PHE 9 Ca 0.51 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 61.16 3h2d h PHE 9 Cb 0.69 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 3h2d h PHE 9 CO -0.04 0.64 0.20 -0.07 -0.60 0.00 0.00 178.31 178.44 3h2d h LEU 10 N 0.39 0.70 -0.67 1.54 3.38 -1.25 -1.42 115.31 117.97 3h2d h LEU 10 Ca 0.10 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3h2d h LEU 10 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3h2d h LEU 10 CO 0.01 0.68 -0.33 -0.61 0.09 0.00 0.00 178.44 178.27 3h2d h GLN 11 N 0.67 0.66 -0.67 1.13 5.75 -0.66 -2.15 115.11 119.84 3h2d h GLN 11 Ca 0.17 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 3h2d h GLN 11 Cb 0.20 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3h2d h GLN 11 CO -0.01 0.90 0.12 1.03 -2.65 0.00 0.00 178.83 178.22 3h2d h SER 12 N 0.56 1.05 -0.21 -0.69 0.87 -0.65 0.34 113.55 114.83 3h2d h SER 12 Ca 0.06 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3h2d h SER 12 Cb 0.84 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3h2d h SER 12 CO 0.07 1.04 0.10 0.25 -0.53 0.00 0.00 176.83 177.76 3h2d h LEU 13 N 1.03 0.27 -0.65 2.23 5.85 -1.06 -1.59 115.31 121.40 3h2d h LEU 13 Ca 0.21 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3h2d h LEU 13 Cb 0.42 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 3h2d h LEU 13 CO 0.01 0.33 0.25 -0.07 -0.34 0.00 0.00 178.44 178.61 3h2d h LEU 14 N 0.20 0.24 -0.33 2.25 3.38 -1.16 -1.16 115.31 118.74 3h2d h LEU 14 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3h2d h LEU 14 Cb 0.13 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3h2d h LEU 14 CO -0.01 0.13 0.21 -1.13 0.09 0.00 0.00 178.44 177.74 3h2d h ASN 15 N 0.42 0.38 -0.88 -0.43 -1.24 -0.68 0.33 115.58 113.48 3h2d h ASN 15 Ca 0.33 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 3h2d h ASN 15 Cb 0.43 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 3h2d h ASN 15 CO -0.33 0.28 0.52 0.58 -1.29 0.00 0.00 177.43 177.18 3h2d h VAL 16 N 0.44 1.25 0.00 2.57 2.07 -0.79 -2.56 116.25 119.23 3h2d h VAL 16 Ca 0.12 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3h2d h VAL 16 Cb -0.05 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 3h2d h VAL 16 CO -0.03 0.27 -0.20 0.16 0.02 0.00 0.00 177.57 177.79 3h2d h ILE 17 N 1.22 0.00 0.00 4.57 3.07 -0.89 -3.23 117.51 122.26 3h2d h ILE 17 Ca 0.32 -0.74 -0.00 0.00 1.55 0.00 0.00 64.86 65.99 3h2d h ILE 17 Cb -0.03 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 38.14 3h2d h ILE 17 CO -0.06 0.00 -0.02 0.77 -1.05 0.00 0.00 178.15 177.80 3h2d h SER 18 N 0.00 0.00 0.00 2.16 4.64 0.09 -3.38 113.55 117.06 3h2d h SER 18 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h2d h SER 18 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3h2d h SER 18 CO 0.00 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3h2d n THR 19 N -3.32 0.83 0.00 2.95 -2.24 -1.22 -4.99 114.28 106.28 3h2d n THR 19 Ca -0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3h2d n THR 19 Cb 0.12 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 3h2d n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h2d n ALA 21 N 1.81 0.00 -0.32 6.98 0.00 -1.26 -5.09 120.51 122.62 3h2d n ALA 21 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3h2d n ALA 21 Cb 0.21 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.74 3h2d n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h2d h SER 22 N 0.00 -1.04 0.21 0.00 0.87 -1.94 -1.59 113.55 110.06 3h2d h SER 22 Ca 0.00 0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3h2d h SER 22 Cb 0.00 0.62 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3h2d h SER 22 CO 0.00 -0.30 -0.14 -0.07 -0.53 0.00 0.00 176.83 175.79 3h2d h LEU 23 N -0.02 0.00 -2.65 2.23 3.38 -1.96 -3.47 115.31 112.81 3h2d h LEU 23 Ca 0.39 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.17 3h2d h LEU 23 Cb 0.63 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.46 3h2d h LEU 23 CO -0.92 0.14 -0.52 -1.84 0.09 0.00 0.00 178.44 175.40 3h2d n GLU 24 N -4.09 -1.62 -3.26 1.13 -0.00 -0.60 -4.44 120.64 107.77 3h2d n GLU 24 Ca -0.02 1.07 -0.39 0.00 -0.00 0.00 0.00 57.16 57.82 3h2d n GLU 24 Cb 0.22 -5.22 -0.06 0.00 -0.00 0.00 0.00 31.44 26.39 3h2d n GLU 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3h2d s LEU 25 N -4.91 4.22 -0.32 -1.84 1.43 -1.26 -4.47 118.68 111.54 3h2d s LEU 25 Ca 0.22 0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 3h2d s LEU 25 Cb -0.05 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.45 3h2d s LEU 25 CO 0.78 -0.09 0.13 -0.89 0.23 0.00 0.00 176.35 176.51 3h2d s THR 26 N 1.08 4.24 0.38 5.49 2.01 0.17 -4.88 115.64 124.13 3h2d s THR 26 Ca 0.26 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.33 3h2d s THR 26 Cb -0.15 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 3h2d s THR 26 CO 0.11 -0.01 1.04 -2.16 -0.69 0.00 0.00 174.62 172.91 3h2d s PRO 27 N 1.53 4.26 0.37 4.92 0.04 -1.26 -1.29 135.00 143.58 3h2d s PRO 27 Ca 0.03 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 3h2d s PRO 27 Cb -0.18 -2.65 0.08 0.00 0.04 0.00 0.00 34.50 31.80 3h2d s PRO 27 CO 0.04 -0.06 0.51 0.41 0.04 0.00 0.00 177.00 177.95 3h2d n GLY 28 N 0.46 -0.12 3.69 0.56 0.00 0.42 -4.96 105.19 105.25 3h2d n GLY 28 Ca 0.04 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 3h2d n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h2d s LYS 29 N -3.90 4.34 0.44 1.61 2.47 -1.26 -4.72 119.74 118.71 3h2d s LYS 29 Ca 0.31 0.75 -0.25 0.00 -1.56 0.00 0.00 55.97 55.22 3h2d s LYS 29 Cb -0.01 -3.50 -0.08 0.00 -1.46 0.00 0.00 37.83 32.77 3h2d s LYS 29 CO 0.21 -0.06 1.35 -2.14 0.16 0.00 0.00 175.35 174.87 3h2d s PRO 30 N 1.28 3.79 0.13 4.03 0.02 -1.26 -4.77 135.00 138.21 3h2d s PRO 30 Ca 0.33 2.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.50 3h2d s PRO 30 Cb -0.17 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3h2d s PRO 30 CO 0.14 -0.67 0.26 -0.65 -0.33 0.00 0.00 177.00 175.75 3h2d s GLN 31 N -2.39 1.01 0.14 5.54 -0.21 -0.39 -4.96 119.66 118.39 3h2d s GLN 31 Ca 0.60 -1.00 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 3h2d s GLN 31 Cb -0.40 0.38 -0.09 0.00 1.00 0.00 0.00 33.01 33.90 3h2d s GLN 31 CO 0.51 -0.36 1.45 0.42 -2.12 0.00 0.00 175.29 175.19 3h2d s ILE 32 N -3.89 3.06 0.03 1.08 1.01 -1.26 -0.82 121.20 120.41 3h2d s ILE 32 Ca 0.09 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 3h2d s ILE 32 Cb 0.04 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3h2d s ILE 32 CO -0.07 0.06 1.26 -0.75 0.00 0.00 0.00 174.94 175.45 3h2d s LYS 33 N 1.06 4.37 -0.20 2.79 2.20 -0.23 -4.87 119.74 124.86 3h2d s LYS 33 Ca 0.66 1.82 0.23 0.00 -0.36 0.00 0.00 55.97 58.32 3h2d s LYS 33 Cb -0.39 -3.43 0.49 0.00 -1.51 0.00 0.00 37.83 32.98 3h2d s LYS 33 CO 0.31 -0.39 1.13 0.25 -0.36 0.00 0.00 175.35 176.29 3h2d n THR 34 N 4.24 1.03 -3.85 3.43 -2.24 -1.26 -4.91 114.28 110.72 3h2d n THR 34 Ca 0.11 -2.52 -0.06 0.00 -2.27 0.00 0.00 64.05 59.31 3h2d n THR 34 Cb 0.45 1.10 0.02 0.00 -2.10 0.00 0.00 70.33 69.81 3h2d n THR 34 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3h2d s ASP 35 N -3.36 -0.00 -0.47 3.42 1.47 -1.26 -5.02 116.67 111.44 3h2d s ASP 35 Ca 0.30 -0.86 0.03 0.00 1.18 0.00 0.00 52.55 53.20 3h2d s ASP 35 Cb 0.34 0.65 0.44 0.00 -0.34 0.00 0.00 42.92 44.01 3h2d s ASP 35 CO -0.07 -1.28 1.49 -0.46 0.68 0.00 0.00 175.17 175.53 3h2d n ASN 36 N -1.27 5.92 0.14 2.11 0.23 -1.26 -4.73 115.26 116.41 3h2d n ASN 36 Ca -0.05 -3.76 0.12 0.00 -0.53 0.00 0.00 54.58 50.35 3h2d n ASN 36 Cb 0.60 -0.61 0.06 0.00 -2.08 0.00 0.00 39.78 37.75 3h2d n ASN 36 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3h2d h LEU 37 N 2.28 0.00 -8.21 -4.53 -0.00 -1.99 -3.45 115.31 99.41 3h2d h LEU 37 Ca 0.44 -0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.85 3h2d h LEU 37 Cb 1.09 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.67 3h2d h LEU 37 CO 1.07 0.00 1.16 0.00 -0.00 0.00 0.00 178.44 180.67 3h2d s ALA 38 N -3.31 2.28 0.13 0.17 0.00 -1.26 -4.96 121.76 114.81 3h2d s ALA 38 Ca 0.02 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.26 3h2d s ALA 38 Cb 0.08 -4.49 -0.04 0.00 0.00 0.00 0.00 23.12 18.67 3h2d s ALA 38 CO 0.75 -4.06 0.19 0.15 0.00 0.00 0.00 175.76 172.80 3h2d s LYS 39 N 5.98 3.18 0.22 0.00 1.02 -1.26 -4.47 119.74 124.41 3h2d s LYS 39 Ca 0.56 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 3h2d s LYS 39 Cb -0.04 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3h2d s LYS 39 CO -0.01 0.53 0.40 0.41 -0.92 0.00 0.00 175.35 175.75 3h2d n GLY 40 N -0.22 1.74 0.01 -3.33 0.00 -0.54 -4.76 105.19 98.09 3h2d n GLY 40 Ca -0.07 -1.26 0.02 0.00 0.00 0.00 0.00 46.02 44.71 3h2d n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h2d n ASP 41 N -1.46 3.29 -3.77 1.61 8.00 -0.14 -0.88 116.55 123.20 3h2d n ASP 41 Ca -0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.34 3h2d n ASP 41 Cb 0.34 1.17 -0.12 0.00 -0.02 0.00 0.00 41.12 42.49 3h2d n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h2d s VAL 42 N -2.43 -0.01 0.02 2.53 0.11 -1.03 -1.84 120.40 117.75 3h2d s VAL 42 Ca -0.03 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3h2d s VAL 42 Cb 0.04 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3h2d s VAL 42 CO 0.30 0.02 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.59 3h2d s SER 43 N 0.43 0.61 -0.14 3.54 0.01 -0.34 -0.95 113.70 116.85 3h2d s SER 43 Ca -0.02 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 3h2d s SER 43 Cb -0.04 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 3h2d s SER 43 CO -0.02 -0.10 0.05 -0.83 0.41 0.00 0.00 173.24 172.75 3h2d s GLY 44 N -0.88 1.92 0.00 3.44 0.00 0.21 -1.05 107.32 110.96 3h2d s GLY 44 Ca -0.05 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.95 3h2d s GLY 44 CO -0.00 -0.19 -0.10 1.08 0.00 0.00 0.00 173.10 173.88 3h2d s LEU 45 N -0.20 2.05 -0.16 0.66 1.02 -1.26 -0.61 118.68 120.19 3h2d s LEU 45 Ca 0.07 -0.24 -0.16 0.00 0.02 0.00 0.00 54.13 53.82 3h2d s LEU 45 Cb -0.12 -0.50 0.04 0.00 0.02 0.00 0.00 46.19 45.63 3h2d s LEU 45 CO 0.01 0.09 0.45 -0.51 0.02 0.00 0.00 176.35 176.41 3h2d s ILE 46 N -0.38 0.00 0.06 -0.59 2.07 -0.08 -4.33 121.20 117.95 3h2d s ILE 46 Ca 0.03 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3h2d s ILE 46 Cb -0.05 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.91 3h2d s ILE 46 CO -0.00 -0.02 0.08 0.61 -1.91 0.00 0.00 174.94 173.70 3h2d n GLY 47 N 2.67 1.29 3.46 1.50 0.00 -1.26 -1.19 105.19 111.66 3h2d n GLY 47 Ca -0.14 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 3h2d n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2d s VAL 49 N 0.28 -0.01 0.01 1.61 1.01 -0.30 -0.67 120.40 122.34 3h2d s VAL 49 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3h2d s VAL 49 Cb -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 3h2d s VAL 49 CO 0.04 0.01 0.01 0.61 0.00 0.00 0.00 175.10 175.77 3h2d n GLY 50 N 3.47 4.00 3.61 4.51 0.00 0.18 -0.64 105.19 120.32 3h2d n GLY 50 Ca -0.17 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 3h2d n GLY 50 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2d s PRO 51 N -2.05 3.32 -1.70 1.61 0.04 -1.26 -2.03 135.00 132.94 3h2d s PRO 51 Ca 0.01 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3h2d s PRO 51 Cb 0.00 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.28 3h2d s PRO 51 CO 0.01 -1.88 0.00 1.04 0.04 0.00 0.00 177.00 176.21 3h2d n GLN 52 N 8.47 -1.56 -3.78 4.56 6.02 -1.26 -4.90 117.38 124.92 3h2d n GLN 52 Ca 0.25 0.95 -0.09 0.00 -0.01 0.00 0.00 57.00 58.10 3h2d n GLN 52 Cb 0.46 -5.38 -0.06 0.00 1.02 0.00 0.00 30.24 26.28 3h2d n GLN 52 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3h2d s THR 53 N -2.59 0.10 0.09 5.09 -1.32 -0.86 -5.01 115.64 111.14 3h2d s THR 53 Ca 0.00 -0.96 -0.11 0.00 -1.21 0.00 0.00 61.69 59.40 3h2d s THR 53 Cb 0.00 -1.34 0.01 0.00 -1.51 0.00 0.00 72.50 69.66 3h2d s THR 53 CO 0.00 -0.46 0.26 -1.59 -2.21 0.00 0.00 174.62 170.62 3h2d s LYS 54 N -3.85 0.89 0.00 7.08 -2.85 -1.04 0.51 119.74 120.48 3h2d s LYS 54 Ca 0.06 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 3h2d s LYS 54 Cb 0.03 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3h2d s LYS 54 CO -0.10 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.46 3h2d n GLY 55 N 0.01 0.81 3.33 0.59 0.00 -1.26 -0.37 105.19 108.30 3h2d n GLY 55 Ca -0.16 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 3h2d n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2d s SER 56 N 1.30 -0.32 -0.01 1.61 1.04 -0.20 -4.51 113.70 112.61 3h2d s SER 56 Ca 0.00 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 3h2d s SER 56 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3h2d s SER 56 CO 0.00 -0.60 0.03 -0.22 0.98 0.00 0.00 173.24 173.43 3h2d s LEU 57 N -1.68 1.91 0.02 2.42 0.20 -0.33 -1.26 118.68 119.95 3h2d s LEU 57 Ca -0.09 -0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.70 3h2d s LEU 57 Cb -0.02 0.15 -0.02 0.00 -0.43 0.00 0.00 46.19 45.88 3h2d s LEU 57 CO 0.01 -0.08 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.03 3h2d s SER 58 N -0.30 0.22 -0.11 3.68 1.04 -0.40 -0.90 113.70 116.92 3h2d s SER 58 Ca -0.03 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3h2d s SER 58 Cb -0.02 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3h2d s SER 58 CO -0.00 -0.24 -0.10 -0.63 0.98 0.00 0.00 173.24 173.25 3h2d s ILE 59 N -1.18 1.17 -0.09 -1.02 1.01 0.22 -0.76 121.20 120.56 3h2d s ILE 59 Ca -0.13 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3h2d s ILE 59 Cb -0.08 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3h2d s ILE 59 CO -0.01 0.39 -0.18 -0.89 0.00 0.00 0.00 174.94 174.25 3h2d s THR 60 N 1.50 2.69 0.04 2.92 2.01 0.16 -0.62 115.64 124.35 3h2d s THR 60 Ca 0.02 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.27 3h2d s THR 60 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3h2d s THR 60 CO -0.07 0.56 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.86 3h2d s PHE 61 N -0.05 1.75 0.43 4.92 0.40 -0.13 -0.82 117.98 124.47 3h2d s PHE 61 Ca -0.04 -0.37 -0.23 0.00 -0.60 0.00 0.00 56.93 55.68 3h2d s PHE 61 Cb -0.14 -1.04 -0.08 0.00 0.51 0.00 0.00 43.02 42.26 3h2d s PHE 61 CO 0.04 0.09 1.08 -1.21 0.70 0.00 0.00 175.22 175.92 3h2d s GLU 62 N -1.19 3.99 0.20 0.44 2.02 -0.38 -0.97 118.70 122.81 3h2d s GLU 62 Ca 0.07 1.56 -0.13 0.00 0.02 0.00 0.00 54.97 56.49 3h2d s GLU 62 Cb -0.09 -2.43 0.22 0.00 0.10 0.00 0.00 34.13 31.93 3h2d s GLU 62 CO 0.02 -0.31 1.67 0.37 0.02 0.00 0.00 175.26 177.03 3h2d h GLN 63 N 2.22 0.08 -0.42 1.61 4.15 -1.92 -2.10 115.11 118.73 3h2d h GLN 63 Ca -0.49 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 3h2d h GLN 63 Cb 1.23 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 3h2d h GLN 63 CO 0.61 0.05 0.22 -0.22 -1.93 0.00 0.00 178.83 177.56 3h2d h LYS 64 N 0.08 0.58 -0.05 1.69 3.64 -1.94 -1.39 116.57 119.18 3h2d h LYS 64 Ca 0.28 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3h2d h LYS 64 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3h2d h LYS 64 CO -0.49 0.44 -0.32 1.25 -2.27 0.00 0.00 179.45 178.06 3h2d h LEU 65 N 0.58 0.37 -1.18 5.20 5.85 -1.04 -2.69 115.31 122.40 3h2d h LEU 65 Ca 0.15 -0.67 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3h2d h LEU 65 Cb 0.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3h2d h LEU 65 CO -0.02 0.99 0.19 1.62 -0.34 0.00 0.00 178.44 180.87 3h2d h VAL 66 N -0.22 1.20 -0.38 1.05 3.04 -1.13 -0.52 116.25 119.30 3h2d h VAL 66 Ca -0.03 -0.64 -0.10 0.00 -1.01 0.00 0.00 66.70 64.92 3h2d h VAL 66 Cb 0.99 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 3h2d h VAL 66 CO 0.07 0.25 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.61 3h2d h LEU 67 N 0.75 0.72 -0.80 3.16 3.38 -1.26 -2.65 115.31 118.60 3h2d h LEU 67 Ca 0.18 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3h2d h LEU 67 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3h2d h LEU 67 CO -0.01 0.91 -0.40 -0.61 0.09 0.00 0.00 178.44 178.41 3h2d h GLN 68 N 0.64 0.41 -0.97 1.13 5.75 -1.09 -1.06 115.11 119.91 3h2d h GLN 68 Ca 0.10 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3h2d h GLN 68 Cb 0.67 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.22 3h2d h GLN 68 CO 0.05 0.75 0.00 -0.89 -2.65 0.00 0.00 178.83 176.09 3h2d n ILE 69 N -4.03 0.00 0.00 2.39 5.41 -0.25 -1.50 119.36 121.39 3h2d n ILE 69 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3h2d n ILE 69 Cb 0.50 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 3h2d n ILE 69 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3h2d n GLN 71 N 0.74 0.00 0.00 0.38 -0.06 -0.40 -4.49 117.38 113.55 3h2d n GLN 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3h2d n GLN 71 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3h2d n GLN 71 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3h2d n ASN 72 N 0.00 0.22 0.00 1.69 5.03 -0.56 -0.82 115.26 120.81 3h2d n ASN 72 Ca 0.00 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.52 3h2d n ASN 72 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 3h2d n ASN 72 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3h2d n LEU 74 N -0.14 0.00 -0.00 3.41 4.77 -1.26 -5.04 117.00 118.73 3h2d n LEU 74 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3h2d n LEU 74 Cb 0.05 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3h2d n LEU 74 CO 0.00 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3h2d n GLY 75 N -0.27 0.43 3.33 -0.72 0.00 -0.00 -5.00 105.19 102.95 3h2d n GLY 75 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3h2d n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h2d s GLU 76 N -0.31 1.10 -0.14 1.61 -1.05 -1.25 -4.95 118.70 113.71 3h2d s GLU 76 Ca 0.00 -1.07 -0.21 0.00 -0.15 0.00 0.00 54.97 53.54 3h2d s GLU 76 Cb 0.00 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.13 3h2d s GLU 76 CO 0.00 -0.40 0.55 0.54 0.95 0.00 0.00 175.26 176.89 3h2d s ASN 77 N -2.92 -0.54 0.00 0.83 2.20 -1.26 -2.86 114.94 110.39 3h2d s ASN 77 Ca 0.13 0.86 0.31 0.00 -0.94 0.00 0.00 52.86 53.22 3h2d s ASN 77 Cb 0.03 0.87 1.69 0.00 -2.00 0.00 0.00 41.25 41.84 3h2d s ASN 77 CO -0.03 -0.33 2.11 -0.81 -2.94 0.00 0.00 177.10 175.10 3h2d n PRO 78 N 2.09 0.94 -1.14 3.55 -0.04 -1.26 -4.89 135.00 134.25 3h2d n PRO 78 Ca -0.16 -0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.13 3h2d n PRO 78 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 3h2d n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2d n GLY 79 N 1.09 0.73 3.58 0.55 0.00 -1.26 -4.95 105.19 104.93 3h2d n GLY 79 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 3h2d n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2d s LYS 80 N -1.95 0.78 -0.52 1.61 -2.85 -1.26 -5.11 119.74 110.44 3h2d s LYS 80 Ca 0.00 -0.34 -0.28 0.00 -1.00 0.00 0.00 55.97 54.36 3h2d s LYS 80 Cb 0.00 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 36.13 3h2d s LYS 80 CO 0.00 -0.35 1.12 0.42 0.10 0.00 0.00 175.35 176.64 3h2d s ILE 81 N -2.99 4.18 0.14 3.79 -1.09 -1.26 -4.88 121.20 119.09 3h2d s ILE 81 Ca 0.08 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 3h2d s ILE 81 Cb -0.01 -4.63 -0.00 0.00 -1.58 0.00 0.00 42.46 36.24 3h2d s ILE 81 CO -0.06 -1.13 0.01 -0.46 -1.23 0.00 0.00 174.94 172.07 3h2d n ASN 82 N 7.97 2.13 -0.23 3.58 0.23 -1.26 -4.99 115.26 122.69 3h2d n ASN 82 Ca 0.09 -1.62 0.05 0.00 -0.53 0.00 0.00 54.58 52.58 3h2d n ASN 82 Cb 0.49 0.13 0.31 0.00 -2.08 0.00 0.00 39.78 38.63 3h2d n ASN 82 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3h2d h GLU 83 N 0.00 0.84 -0.20 -3.83 4.81 -1.99 -1.32 114.58 112.89 3h2d h GLU 83 Ca -0.11 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 3h2d h GLU 83 Cb 0.35 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3h2d h GLU 83 CO 0.18 0.55 -0.33 0.93 -0.73 0.00 0.00 179.01 179.62 3h2d h GLU 84 N 0.86 0.41 -0.23 1.92 3.07 -1.97 0.23 114.58 118.88 3h2d h GLU 84 Ca 0.34 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 3h2d h GLU 84 Cb 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3h2d h GLU 84 CO -0.12 0.70 -0.12 0.28 -1.40 0.00 0.00 179.01 178.35 3h2d h VAL 85 N 0.36 1.31 -0.41 3.13 2.07 -1.75 -2.07 116.25 118.87 3h2d h VAL 85 Ca 0.04 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3h2d h VAL 85 Cb 0.75 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3h2d h VAL 85 CO 0.06 0.37 -0.01 0.71 0.02 0.00 0.00 177.57 178.71 3h2d h THR 86 N 0.19 1.23 -0.33 2.57 1.35 -1.05 -0.90 112.91 115.97 3h2d h THR 86 Ca 0.05 -0.94 0.02 0.00 -0.55 0.00 0.00 66.41 64.99 3h2d h THR 86 Cb 0.62 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 3h2d h THR 86 CO 0.03 0.32 0.18 0.44 -0.25 0.00 0.00 175.52 176.24 3h2d h ASP 87 N 0.63 0.27 -0.72 5.36 3.32 -0.92 -1.30 116.42 123.07 3h2d h ASP 87 Ca 0.13 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3h2d h ASP 87 Cb 0.42 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3h2d h ASP 87 CO 0.02 0.20 0.24 0.25 -1.72 0.00 0.00 179.24 178.23 3h2d h LEU 88 N 0.36 1.03 -0.91 1.55 5.85 -0.96 -1.25 115.31 120.98 3h2d h LEU 88 Ca 0.13 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3h2d h LEU 88 Cb 0.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3h2d h LEU 88 CO -0.08 0.95 0.57 0.58 -0.34 0.00 0.00 178.44 180.12 3h2d h VAL 89 N 1.05 1.25 -0.73 1.05 2.07 -0.87 0.05 116.25 120.12 3h2d h VAL 89 Ca 0.23 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3h2d h VAL 89 Cb 0.28 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3h2d h VAL 89 CO -0.01 0.25 0.32 1.23 0.02 0.00 0.00 177.57 179.38 3h2d h GLY 90 N 1.25 1.14 1.01 2.17 0.00 -0.87 -0.46 103.07 107.31 3h2d h GLY 90 Ca 0.33 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 3h2d h GLY 90 CO -0.07 0.55 -0.44 0.83 0.00 0.00 0.00 176.54 177.42 3h2d h GLU 91 N 1.05 0.71 -0.82 4.80 4.39 -0.75 -1.40 114.58 122.56 3h2d h GLU 91 Ca 0.25 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3h2d h GLU 91 Cb 0.15 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3h2d h GLU 91 CO -0.03 1.07 0.46 0.82 -1.16 0.00 0.00 179.01 180.17 3h2d h ILE 92 N 0.43 1.24 -0.51 3.13 2.04 -0.82 -2.61 117.51 120.42 3h2d h ILE 92 Ca 0.01 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3h2d h ILE 92 Cb 1.04 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3h2d h ILE 92 CO 0.10 0.27 0.26 0.74 0.00 0.00 0.00 178.15 179.52 3h2d h THR 93 N 1.15 1.18 0.00 -0.27 2.02 -0.88 -0.64 112.91 115.47 3h2d h THR 93 Ca 0.29 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3h2d h THR 93 Cb 0.02 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3h2d h THR 93 CO -0.05 0.20 0.00 0.59 0.37 0.00 0.00 175.52 176.63 3h2d n ASN 94 N -4.63 0.28 0.00 4.18 3.02 -0.55 -1.49 115.26 116.08 3h2d n ASN 94 Ca 0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3h2d n ASN 94 Cb 0.10 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3h2d n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3h2d n VAL 96 N 0.73 0.00 -0.01 2.41 0.31 -0.25 0.03 118.33 121.55 3h2d n VAL 96 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3h2d n VAL 96 Cb 0.05 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.03 3h2d n VAL 96 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3h2d h THR 97 N 0.00 1.31 -0.37 2.52 1.35 -1.51 -2.43 112.91 113.78 3h2d h THR 97 Ca 0.00 -1.75 -0.01 0.00 -0.55 0.00 0.00 66.41 64.10 3h2d h THR 97 Cb 0.00 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 3h2d h THR 97 CO 0.00 0.55 0.21 1.23 -0.25 0.00 0.00 175.52 177.26 3h2d h GLY 98 N 1.02 0.55 0.99 5.82 0.00 -0.63 0.98 103.07 111.80 3h2d h GLY 98 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3h2d h GLY 98 CO 0.10 0.23 0.18 -1.33 0.00 0.00 0.00 176.54 175.72 3h2d h GLY 99 N 0.47 0.38 1.02 4.60 0.00 -1.76 -1.96 103.07 105.83 3h2d h GLY 99 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3h2d h GLY 99 CO -0.02 0.14 0.56 0.00 0.00 0.00 0.00 176.54 177.21 3h2d h ALA 100 N 1.10 1.19 -0.71 3.60 0.00 -1.23 -1.72 119.26 121.49 3h2d h ALA 100 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h2d h ALA 100 Cb -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 3h2d h ALA 100 CO -0.03 0.66 0.46 -0.22 0.00 0.00 0.00 179.25 180.12 3h2d h LYS 101 N 1.29 0.88 -0.23 0.00 3.64 -0.47 0.12 116.57 121.80 3h2d h LYS 101 Ca 0.33 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3h2d h LYS 101 Cb -0.04 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3h2d h LYS 101 CO -0.06 0.58 0.11 -0.97 -2.27 0.00 0.00 179.45 176.85 3h2d h ASN 102 N 0.91 0.29 -0.28 4.20 -1.24 -0.92 -0.49 115.58 118.04 3h2d h ASN 102 Ca 0.28 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 3h2d h ASN 102 Cb -0.03 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 3h2d h ASN 102 CO -0.09 0.32 0.13 -0.07 -1.29 0.00 0.00 177.43 176.43 3h2d h LEU 103 N 0.24 0.37 -0.87 0.34 3.38 -0.94 -0.89 115.31 116.94 3h2d h LEU 103 Ca 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3h2d h LEU 103 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3h2d h LEU 103 CO -0.01 0.39 0.38 -0.07 0.09 0.00 0.00 178.44 179.22 3h2d h LEU 104 N 0.32 1.09 -1.01 1.67 3.38 -0.77 -2.47 115.31 117.52 3h2d h LEU 104 Ca 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3h2d h LEU 104 Cb 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3h2d h LEU 104 CO -0.01 0.93 0.44 1.23 0.09 0.00 0.00 178.44 181.12 3h2d h GLY 105 N 1.19 1.21 2.00 0.83 0.00 -0.81 0.29 103.07 107.78 3h2d h GLY 105 Ca 0.28 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3h2d h GLY 105 CO -0.03 0.53 -0.14 1.46 0.00 0.00 0.00 176.54 178.36 3h2d h GLN 106 N 1.14 0.00 -0.00 4.80 1.08 -0.96 -1.92 115.11 119.25 3h2d h GLN 106 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3h2d h GLN 106 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3h2d h GLN 106 CO -0.05 0.14 -0.08 1.63 -0.95 0.00 0.00 178.83 179.52 3h2d n LYS 107 N -3.21 0.22 0.00 1.46 5.02 -0.72 -4.94 118.16 115.98 3h2d n LYS 107 Ca 0.01 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3h2d n LYS 107 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3h2d n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2d n GLY 108 N 1.41 1.11 3.07 0.72 0.00 -0.58 -5.08 105.19 105.85 3h2d n GLY 108 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3h2d n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2d s TYR 109 N -2.00 2.81 -0.35 1.61 2.02 -0.01 -4.98 117.35 116.45 3h2d s TYR 109 Ca 0.00 -1.82 -0.15 0.00 -0.37 0.00 0.00 57.07 54.73 3h2d s TYR 109 Cb 0.00 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3h2d s TYR 109 CO 0.00 -0.81 0.33 -1.21 -1.57 0.00 0.00 175.55 172.30 3h2d s GLU 110 N 1.27 3.50 -0.06 -0.62 0.41 -1.26 -2.63 118.70 119.30 3h2d s GLU 110 Ca -0.01 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.05 3h2d s GLU 110 Cb -0.16 -3.82 -0.03 0.00 -1.78 0.00 0.00 34.13 28.34 3h2d s GLU 110 CO -0.09 -0.53 -0.07 -0.06 -0.49 0.00 0.00 175.26 174.02 3h2d s PHE 111 N 1.94 2.92 0.25 1.61 0.08 -1.26 -4.01 117.98 119.51 3h2d s PHE 111 Ca 0.10 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.17 3h2d s PHE 111 Cb -0.17 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3h2d s PHE 111 CO 0.11 0.33 0.09 0.39 -0.10 0.00 0.00 175.22 176.04 3h2d n GLU 112 N 2.15 1.28 0.00 0.44 -0.58 0.18 -4.98 120.64 119.14 3h2d n GLU 112 Ca -0.18 -1.68 0.00 0.00 -0.42 0.00 0.00 57.16 54.89 3h2d n GLU 112 Cb 0.53 0.33 0.00 0.00 -0.57 0.00 0.00 31.44 31.73 3h2d n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h2d n ALA 114 N -2.34 0.00 -2.72 0.62 0.00 0.16 -1.15 120.51 115.08 3h2d n ALA 114 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 3h2d n ALA 114 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 3h2d n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h2d s THR 115 N 0.34 4.18 0.00 0.00 -4.23 -1.26 -4.85 115.64 109.82 3h2d s THR 115 Ca 0.00 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3h2d s THR 115 Cb 0.00 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3h2d s THR 115 CO 0.00 0.10 0.00 -0.81 -0.54 0.00 0.00 174.62 173.37 3h2d n PRO 116 N 0.44 0.06 -3.61 3.99 -0.04 -1.26 -4.67 135.00 129.91 3h2d n PRO 116 Ca -0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.33 3h2d n PRO 116 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 3h2d n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h2d s VAL 118 N -0.58 -0.13 -0.14 0.52 1.01 -1.26 -4.98 120.40 114.84 3h2d s VAL 118 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3h2d s VAL 118 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3h2d s VAL 118 CO 0.00 0.00 0.34 -0.69 0.00 0.00 0.00 175.10 174.75 3h2d s VAL 119 N 1.66 5.27 -0.15 2.92 1.01 -0.22 -4.95 120.40 125.94 3h2d s VAL 119 Ca -0.08 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3h2d s VAL 119 Cb -0.05 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3h2d s VAL 119 CO -0.17 0.39 -0.19 -0.44 0.00 0.00 0.00 175.10 174.70 3h2d s SER 120 N 0.37 3.36 0.00 3.32 0.01 -1.26 -1.20 113.70 118.30 3h2d s SER 120 Ca 0.19 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.90 3h2d s SER 120 Cb -0.14 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.59 3h2d s SER 120 CO 0.06 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3h2d n GLY 121 N 4.13 2.15 3.72 3.44 0.00 -0.77 -5.03 105.19 112.83 3h2d n GLY 121 Ca -0.20 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3h2d n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h2d s GLN 122 N -0.37 4.39 -1.33 1.61 -1.52 -1.26 -3.48 119.66 117.69 3h2d s GLN 122 Ca 0.00 1.89 -0.03 0.00 -1.95 0.00 0.00 55.36 55.27 3h2d s GLN 122 Cb 0.00 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.49 3h2d s GLN 122 CO 0.00 -0.32 0.42 0.41 -0.25 0.00 0.00 175.29 175.56 3h2d n GLY 123 N 3.26 -0.32 3.88 3.09 0.00 -0.67 -4.96 105.19 109.46 3h2d n GLY 123 Ca 0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3h2d n GLY 123 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h2d s HIS 124 N -3.04 3.58 0.11 1.61 -3.43 -0.06 -4.71 115.29 109.36 3h2d s HIS 124 Ca 0.21 1.09 0.07 0.00 -0.80 0.00 0.00 55.06 55.62 3h2d s HIS 124 Cb -0.09 -2.53 -0.03 0.00 -1.43 0.00 0.00 32.58 28.49 3h2d s HIS 124 CO 0.26 -0.46 -0.16 0.95 -2.00 0.00 0.00 174.74 173.33 3h2d s THR 125 N -2.91 1.42 -0.12 -5.38 -4.23 -1.26 -1.47 115.64 101.69 3h2d s THR 125 Ca 0.52 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3h2d s THR 125 Cb -0.11 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 3h2d s THR 125 CO 0.47 -0.26 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.49 3h2d s ILE 126 N -1.63 2.67 -0.25 2.99 -1.09 -1.26 -5.08 121.20 117.56 3h2d s ILE 126 Ca 0.06 -0.79 -0.00 0.00 -2.23 0.00 0.00 60.65 57.68 3h2d s ILE 126 Cb -0.08 -2.09 0.04 0.00 -1.58 0.00 0.00 42.46 38.74 3h2d s ILE 126 CO 0.03 0.54 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.64 3h2d s SER 127 N 0.39 4.21 -0.05 3.58 0.15 -1.26 -5.04 113.70 115.69 3h2d s SER 127 Ca -0.13 -1.00 -0.26 0.00 0.70 0.00 0.00 55.95 55.27 3h2d s SER 127 Cb -0.17 -1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 3h2d s SER 127 CO 0.06 -0.13 0.79 -1.00 1.20 0.00 0.00 173.24 174.16 3h2d s HIS 128 N 1.26 3.60 -1.81 3.44 3.76 -1.26 -4.97 115.29 119.31 3h2d s HIS 128 Ca -0.02 1.39 0.18 0.00 -0.15 0.00 0.00 55.06 56.46 3h2d s HIS 128 Cb -0.17 -2.91 0.05 0.00 1.11 0.00 0.00 32.58 30.66 3h2d s HIS 128 CO -0.06 0.06 0.96 1.63 -0.85 0.00 0.00 174.74 176.48 3h2d n LYS 129 N 3.82 1.58 -1.50 1.40 4.76 -1.26 -4.99 118.16 121.98 3h2d n LYS 129 Ca 0.01 -1.10 -0.45 0.00 -2.87 0.00 0.00 58.31 53.90 3h2d n LYS 129 Cb 0.51 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 3h2d n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h2d n ALA 130 N 0.29 -1.39 -2.33 7.82 0.00 -1.26 -4.83 120.51 118.80 3h2d n ALA 130 Ca 0.08 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.47 3h2d n ALA 130 Cb 0.39 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3h2d n ALA 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h2d n ASN 131 N 1.52 4.64 -2.42 0.00 5.15 -1.26 -4.82 115.26 118.07 3h2d n ASN 131 Ca 0.13 -2.91 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 3h2d n ASN 131 Cb 0.31 -1.69 0.01 0.00 -0.53 0.00 0.00 39.78 37.88 3h2d n ASN 131 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h2d n GLY 132 N 4.72 0.60 3.72 8.20 0.00 -1.25 -4.47 105.19 116.71 3h2d n GLY 132 Ca 0.48 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3h2d n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2d s THR 133 N -2.16 4.35 -0.28 2.61 2.01 -1.25 -4.85 115.64 116.07 3h2d s THR 133 Ca 0.15 1.85 -0.16 0.00 0.31 0.00 0.00 61.69 63.83 3h2d s THR 133 Cb -0.01 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 3h2d s THR 133 CO 0.01 0.23 0.44 -0.54 -0.69 0.00 0.00 174.62 174.07 3h2d s LYS 134 N 0.35 3.97 -0.15 4.92 3.01 -1.26 -4.06 119.74 126.52 3h2d s LYS 134 Ca 0.51 0.11 -0.02 0.00 -1.01 0.00 0.00 55.97 55.55 3h2d s LYS 134 Cb -0.25 -3.68 -0.02 0.00 -1.01 0.00 0.00 37.83 32.87 3h2d s LYS 134 CO 0.30 -0.36 -0.07 0.42 0.51 0.00 0.00 175.35 176.15 3h2d s ILE 135 N 2.20 3.53 0.29 2.17 -1.09 -0.65 -1.06 121.20 126.59 3h2d s ILE 135 Ca 0.18 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 3h2d s ILE 135 Cb -0.16 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.19 3h2d s ILE 135 CO 0.10 0.50 0.06 0.00 -1.23 0.00 0.00 174.94 174.37 3h2d n ILE 136 N 3.62 0.00 -3.98 2.92 3.06 0.00 -1.02 119.36 123.97 3h2d n ILE 136 Ca -0.18 -1.57 -0.09 0.00 -2.50 0.00 0.00 62.75 58.41 3h2d n ILE 136 Cb 0.52 0.48 -0.08 0.00 0.54 0.00 0.00 39.64 41.10 3h2d n ILE 136 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3h2d s PRO 138 N -3.09 0.91 0.03 9.51 0.04 -1.26 -1.26 135.00 139.87 3h2d s PRO 138 Ca 0.09 -1.15 0.04 0.00 0.04 0.00 0.00 61.00 60.03 3h2d s PRO 138 Cb 0.00 0.31 -0.02 0.00 0.04 0.00 0.00 34.50 34.84 3h2d s PRO 138 CO 0.06 -0.28 -0.13 -0.06 0.04 0.00 0.00 177.00 176.63 3h2d s PHE 139 N -3.93 1.17 0.04 0.56 0.08 0.53 -0.43 117.98 116.00 3h2d s PHE 139 Ca 0.12 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 3h2d s PHE 139 Cb 0.05 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.77 3h2d s PHE 139 CO -0.06 0.02 -0.00 -0.08 -0.10 0.00 0.00 175.22 175.00 3h2d s THR 140 N -0.74 0.18 0.33 0.64 -1.32 -0.41 -1.47 115.64 112.85 3h2d s THR 140 Ca 0.02 -1.49 -0.16 0.00 -1.21 0.00 0.00 61.69 58.84 3h2d s THR 140 Cb -0.07 -1.16 0.03 0.00 -1.51 0.00 0.00 72.50 69.78 3h2d s THR 140 CO 0.01 -0.82 0.70 -0.94 -2.21 0.00 0.00 174.62 171.36 3h2d s SER 141 N -2.51 -0.03 0.54 8.08 1.04 -0.67 0.41 113.70 120.56 3h2d s SER 141 Ca 0.01 -0.94 0.31 0.00 0.48 0.00 0.00 55.95 55.80 3h2d s SER 141 Cb 0.03 0.76 1.55 0.00 0.10 0.00 0.00 66.02 68.46 3h2d s SER 141 CO -0.07 -1.47 2.08 0.77 0.98 0.00 0.00 173.24 175.53 3h2d h SER 142 N 2.04 0.00 0.98 7.02 4.64 -1.81 -2.16 113.55 124.26 3h2d h SER 142 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3h2d h SER 142 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3h2d h SER 142 CO 0.33 0.09 -0.20 -1.22 -0.87 0.00 0.00 176.83 174.96 3h2d n TYR 143 N -3.44 0.29 0.00 4.77 4.01 -1.26 -5.03 117.16 116.50 3h2d n TYR 143 Ca -0.01 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3h2d n TYR 143 Cb 0.24 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 3h2d n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h2d n GLY 144 N 1.43 0.79 3.42 2.72 0.00 -0.81 -2.35 105.19 110.40 3h2d n GLY 144 Ca 0.06 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 3h2d n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2d s THR 145 N -1.41 2.36 0.13 2.61 2.01 -1.26 -1.67 115.64 118.41 3h2d s THR 145 Ca 0.00 -2.03 0.02 0.00 0.31 0.00 0.00 61.69 59.99 3h2d s THR 145 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3h2d s THR 145 CO 0.00 -0.11 -0.03 0.00 -0.69 0.00 0.00 174.62 173.78 3h2d s ALA 146 N -1.66 1.14 -0.01 7.40 0.00 -0.54 -1.25 121.76 126.84 3h2d s ALA 146 Ca 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3h2d s ALA 146 Cb -0.08 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3h2d s ALA 146 CO 0.10 -0.28 0.01 -0.06 0.00 0.00 0.00 175.76 175.53 3h2d s PHE 147 N -3.65 0.02 -0.12 0.00 0.40 -0.00 -0.35 117.98 114.28 3h2d s PHE 147 Ca 0.17 0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 3h2d s PHE 147 Cb 0.06 -0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.44 3h2d s PHE 147 CO -0.01 -0.04 -0.05 -1.50 0.70 0.00 0.00 175.22 174.32 3h2d s ILE 148 N 0.50 3.82 -0.04 0.64 2.07 -1.26 -0.66 121.20 126.27 3h2d s ILE 148 Ca -0.04 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 58.84 3h2d s ILE 148 Cb -0.06 -2.63 -0.00 0.00 0.13 0.00 0.00 42.46 39.90 3h2d s ILE 148 CO -0.01 0.54 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.69 3h2d s GLU 149 N -0.15 1.70 -0.02 3.50 2.12 0.06 -4.28 118.70 121.63 3h2d s GLU 149 Ca 0.02 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.77 3h2d s GLU 149 Cb -0.13 -1.50 0.01 0.00 0.26 0.00 0.00 34.13 32.76 3h2d s GLU 149 CO 0.03 0.26 -0.06 0.08 -0.54 0.00 0.00 175.26 175.03 3h2d s VAL 150 N -0.04 0.56 -0.06 3.70 1.01 -0.19 -1.27 120.40 124.11 3h2d s VAL 150 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3h2d s VAL 150 Cb -0.11 -0.52 0.04 0.00 0.00 0.00 0.00 36.38 35.79 3h2d s VAL 150 CO 0.02 0.19 0.13 0.00 0.00 0.00 0.00 175.10 175.44 3h2d s PHE 152 N 1.36 2.08 0.00 0.00 0.08 -1.26 -1.04 117.98 119.21 3h2d s PHE 152 Ca -0.07 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.58 3h2d s PHE 152 Cb -0.12 -1.13 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 3h2d s PHE 152 CO -0.05 0.28 0.49 -1.91 -0.10 0.00 0.00 175.22 173.93