#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipv s GLU 2 N 0.00 4.49 0.00 0.00 0.41 0.05 -4.91 118.70 118.73 3ipv s GLU 2 Ca 0.00 1.09 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 3ipv s GLU 2 Cb 0.00 -3.45 -0.00 0.00 -1.78 0.00 0.00 34.13 28.90 3ipv s GLU 2 CO 0.00 0.03 -0.02 -1.21 -0.49 0.00 0.00 175.26 173.57 3ipv s GLU 3 N 0.84 0.14 -0.03 1.61 2.02 -1.26 -0.67 118.70 121.35 3ipv s GLU 3 Ca 0.43 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.33 3ipv s GLU 3 Cb -0.19 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 33.95 3ipv s GLU 3 CO 0.22 0.03 -0.05 0.99 0.02 0.00 0.00 175.26 176.46 3ipv s THR 4 N -0.17 0.51 -0.01 3.63 2.01 -1.15 -5.00 115.64 115.47 3ipv s THR 4 Ca -0.01 -0.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 3ipv s THR 4 Cb -0.01 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.02 3ipv s THR 4 CO -0.00 0.19 0.32 -0.55 -0.69 0.00 0.00 174.62 173.89 3ipv s SER 5 N 0.50 -0.20 0.09 3.53 0.15 -1.26 -0.97 113.70 115.54 3ipv s SER 5 Ca -0.06 0.07 -0.25 0.00 0.70 0.00 0.00 55.95 56.41 3ipv s SER 5 Cb -0.10 0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.60 3ipv s SER 5 CO 0.00 -0.47 0.62 0.72 1.20 0.00 0.00 173.24 175.31 3ipv s PHE 6 N -1.45 -0.57 -0.02 3.44 -0.71 -0.56 -5.01 117.98 113.10 3ipv s PHE 6 Ca -0.13 0.58 0.00 0.00 -1.04 0.00 0.00 56.93 56.34 3ipv s PHE 6 Cb -0.05 0.50 0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3ipv s PHE 6 CO 0.04 -0.77 0.02 0.08 -1.34 0.00 0.00 175.22 173.25 3ipv s VAL 7 N -2.90 0.03 -0.40 -2.49 1.01 -1.26 -1.22 120.40 113.16 3ipv s VAL 7 Ca -0.03 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3ipv s VAL 7 Cb -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 36.38 36.34 3ipv s VAL 7 CO -0.05 0.10 0.15 -0.36 0.00 0.00 0.00 175.10 174.94 3ipv s PHE 8 N 0.95 3.63 -0.50 5.22 0.40 0.54 -4.93 117.98 123.28 3ipv s PHE 8 Ca -0.08 -2.80 0.26 0.00 -0.60 0.00 0.00 56.93 53.71 3ipv s PHE 8 Cb -0.12 -3.04 0.86 0.00 0.51 0.00 0.00 43.02 41.22 3ipv s PHE 8 CO -0.02 -0.93 1.76 0.77 0.70 0.00 0.00 175.22 177.49 3ipv h SER 9 N 7.62 0.00 -5.43 1.36 0.02 -1.90 -1.74 113.55 113.48 3ipv h SER 9 Ca -0.07 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.70 3ipv h SER 9 Cb 1.01 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.45 3ipv h SER 9 CO 0.61 0.00 -0.27 -1.59 -1.14 0.00 0.00 176.83 174.44 3ipv s LYS 10 N -3.25 1.59 0.35 3.45 -2.85 -1.26 -4.66 119.74 113.10 3ipv s LYS 10 Ca 0.07 -1.52 0.08 0.00 -1.00 0.00 0.00 55.97 53.60 3ipv s LYS 10 Cb 0.10 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 3ipv s LYS 10 CO 0.54 -0.63 0.18 -0.06 0.10 0.00 0.00 175.35 175.48 3ipv s PHE 11 N -3.73 2.73 0.08 1.78 0.08 -0.62 -4.98 117.98 113.32 3ipv s PHE 11 Ca 0.29 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.03 3ipv s PHE 11 Cb 0.01 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3ipv s PHE 11 CO 0.14 0.27 -0.21 0.15 -0.10 0.00 0.00 175.22 175.47 3ipv s LYS 12 N -3.89 1.24 0.25 0.44 1.02 -1.26 -4.30 119.74 113.23 3ipv s LYS 12 Ca 0.39 -1.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 3ipv s LYS 12 Cb -0.02 -1.45 0.38 0.00 -0.52 0.00 0.00 37.83 36.21 3ipv s LYS 12 CO 0.24 0.35 1.60 -1.35 -0.92 0.00 0.00 175.35 175.27 3ipv h PRO 13 N 4.40 0.02 -4.64 -1.68 0.11 -1.81 -3.27 132.00 125.12 3ipv h PRO 13 Ca -0.45 -0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.96 3ipv h PRO 13 Cb 1.17 -0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 3ipv h PRO 13 CO 0.41 0.01 -0.39 -1.17 -0.21 0.00 0.00 178.00 176.65 3ipv s LEU 14 N -11.00 4.88 -0.41 2.35 1.98 -1.26 -4.85 118.68 110.38 3ipv s LEU 14 Ca -0.14 -0.70 0.07 0.00 -2.89 0.00 0.00 54.13 50.47 3ipv s LEU 14 Cb 0.23 -2.21 0.23 0.00 0.66 0.00 0.00 46.19 45.10 3ipv s LEU 14 CO 0.76 -0.41 0.48 1.21 -1.89 0.00 0.00 176.35 176.49 3ipv n GLU 15 N 5.23 0.64 0.00 1.98 4.07 -1.24 -4.98 120.64 126.34 3ipv n GLU 15 Ca -0.11 -3.27 0.07 0.00 -0.06 0.00 0.00 57.16 53.80 3ipv n GLU 15 Cb 0.48 -1.38 0.32 0.00 -0.06 0.00 0.00 31.44 30.80 3ipv n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3ipv n PRO 16 N 1.79 0.04 -0.18 5.31 -0.04 -1.26 -1.52 135.00 139.15 3ipv n PRO 16 Ca 0.24 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 3ipv n PRO 16 Cb 0.51 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 3ipv n PRO 16 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3ipv n ASN 17 N -1.46 2.05 -4.05 3.54 6.94 -1.26 -4.74 115.26 116.28 3ipv n ASN 17 Ca 0.04 -1.94 -0.28 0.00 -0.02 0.00 0.00 54.58 52.38 3ipv n ASN 17 Cb 0.16 -0.23 -0.17 0.00 -2.36 0.00 0.00 39.78 37.18 3ipv n ASN 17 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3ipv s LEU 18 N -1.13 1.69 -0.36 -4.53 2.96 -0.57 -0.82 118.68 115.92 3ipv s LEU 18 Ca 0.28 -0.41 -0.21 0.00 -0.22 0.00 0.00 54.13 53.57 3ipv s LEU 18 Cb 0.15 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.78 3ipv s LEU 18 CO 0.20 0.01 0.65 -0.63 -1.32 0.00 0.00 176.35 175.25 3ipv s ILE 19 N 1.01 4.88 -0.06 6.68 1.01 0.32 -4.90 121.20 130.12 3ipv s ILE 19 Ca -0.06 0.59 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 3ipv s ILE 19 Cb -0.15 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 3ipv s ILE 19 CO -0.02 -0.33 0.42 -0.76 0.00 0.00 0.00 174.94 174.25 3ipv s LEU 20 N 2.74 4.37 0.07 2.97 1.43 -1.26 -1.02 118.68 127.98 3ipv s LEU 20 Ca 0.25 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 3ipv s LEU 20 Cb -0.14 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3ipv s LEU 20 CO 0.15 0.17 -0.10 -1.10 0.23 0.00 0.00 176.35 175.70 3ipv s GLN 21 N -0.24 0.75 7.25 1.70 -0.21 0.04 -4.99 119.66 123.96 3ipv s GLN 21 Ca 0.24 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.62 3ipv s GLN 21 Cb -0.16 -0.53 0.00 0.00 1.00 0.00 0.00 33.01 33.32 3ipv s GLN 21 CO 0.11 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 3ipv n GLY 22 N 0.98 2.83 0.47 3.09 0.00 -1.26 -1.26 105.19 110.04 3ipv n GLY 22 Ca -0.19 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.69 3ipv n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipv n ASP 23 N 4.84 1.62 -4.75 1.61 8.00 0.16 -4.94 116.55 123.09 3ipv n ASP 23 Ca 0.00 -1.37 -0.41 0.00 0.71 0.00 0.00 54.79 53.72 3ipv n ASP 23 Cb 0.00 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 3ipv n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ipv s ALA 24 N -2.23 3.70 0.02 2.24 0.00 -1.15 -4.62 121.76 119.73 3ipv s ALA 24 Ca 0.30 1.52 -0.21 0.00 0.00 0.00 0.00 51.96 53.58 3ipv s ALA 24 Cb 0.20 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.74 3ipv s ALA 24 CO 0.42 -0.94 0.46 -0.48 0.00 0.00 0.00 175.76 175.22 3ipv s LEU 25 N -0.68 0.21 -0.13 0.00 0.05 -0.91 -4.69 118.68 112.53 3ipv s LEU 25 Ca 0.61 0.18 -0.09 0.00 0.05 0.00 0.00 54.13 54.88 3ipv s LEU 25 Cb -0.46 1.86 -0.04 0.00 -2.05 0.00 0.00 46.19 45.49 3ipv s LEU 25 CO 0.49 -0.62 0.17 -0.69 -0.55 0.00 0.00 176.35 175.15 3ipv s VAL 26 N -2.01 5.43 0.69 1.48 1.01 -1.26 -1.48 120.40 124.25 3ipv s VAL 26 Ca -0.08 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3ipv s VAL 26 Cb -0.02 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.97 3ipv s VAL 26 CO 0.01 0.56 0.98 0.42 0.00 0.00 0.00 175.10 177.07 3ipv s THR 27 N -0.58 2.33 -0.24 3.92 -4.23 -0.37 -4.60 115.64 111.87 3ipv s THR 27 Ca 0.14 -0.37 0.28 0.00 -1.18 0.00 0.00 61.69 60.57 3ipv s THR 27 Cb -0.12 -2.96 0.32 0.00 1.34 0.00 0.00 72.50 71.08 3ipv s THR 27 CO 0.03 0.00 1.83 -0.37 -0.54 0.00 0.00 174.62 175.57 3ipv h VAL 28 N -0.50 0.00 -0.01 2.29 -1.51 -1.97 -1.53 116.25 113.03 3ipv h VAL 28 Ca -0.43 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3ipv h VAL 28 Cb 1.30 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3ipv h VAL 28 CO 0.56 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.90 3ipv n ALA 29 N -1.94 2.66 -0.63 5.19 0.00 -1.26 -4.90 120.51 119.63 3ipv n ALA 29 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3ipv n ALA 29 Cb 0.31 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3ipv n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipv n GLY 30 N 0.99 0.61 3.74 0.00 0.00 -0.57 -4.93 105.19 105.03 3ipv n GLY 30 Ca 0.22 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 3ipv n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipv s VAL 31 N -2.00 5.22 -0.60 1.61 1.01 -1.26 -1.58 120.40 122.80 3ipv s VAL 31 Ca 0.00 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 3ipv s VAL 31 Cb 0.00 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.72 3ipv s VAL 31 CO 0.00 0.39 0.96 -0.22 0.00 0.00 0.00 175.10 176.23 3ipv s LEU 32 N 0.30 4.17 -0.62 3.92 2.96 -0.27 -1.24 118.68 127.89 3ipv s LEU 32 Ca 0.21 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 53.32 3ipv s LEU 32 Cb -0.14 -2.67 0.07 0.00 0.50 0.00 0.00 46.19 43.95 3ipv s LEU 32 CO 0.08 -1.33 0.88 -1.10 -1.32 0.00 0.00 176.35 173.57 3ipv s GLN 33 N 4.05 3.13 0.21 1.98 -0.21 -0.55 0.33 119.66 128.60 3ipv s GLN 33 Ca 0.27 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.74 3ipv s GLN 33 Cb -0.14 -4.20 0.17 0.00 1.00 0.00 0.00 33.01 29.84 3ipv s GLN 33 CO 0.16 -1.67 1.72 -0.07 -2.12 0.00 0.00 175.29 173.31 3ipv h LEU 34 N 10.91 0.99 -9.04 2.90 3.38 -1.56 -2.41 115.31 120.49 3ipv h LEU 34 Ca -0.28 -0.23 -0.66 0.00 0.09 0.00 0.00 57.88 56.79 3ipv h LEU 34 Cb 1.08 -0.26 -0.19 0.00 0.09 0.00 0.00 40.66 41.37 3ipv h LEU 34 CO 1.14 0.99 -0.82 0.42 0.09 0.00 0.00 178.44 180.25 3ipv s THR 35 N -5.18 2.47 -0.11 0.22 -4.23 -1.26 -2.92 115.64 104.62 3ipv s THR 35 Ca -0.11 -1.86 -0.39 0.00 -1.18 0.00 0.00 61.69 58.15 3ipv s THR 35 Cb 0.15 -2.16 -0.16 0.00 1.34 0.00 0.00 72.50 71.66 3ipv s THR 35 CO 0.84 -0.04 1.53 0.59 -0.54 0.00 0.00 174.62 177.01 3ipv n ASN 36 N 0.48 1.94 -4.06 3.99 4.13 -1.26 -4.71 115.26 115.77 3ipv n ASN 36 Ca -0.14 1.10 -0.24 0.00 1.68 0.00 0.00 54.58 56.98 3ipv n ASN 36 Cb 0.55 -1.15 -0.16 0.00 -1.54 0.00 0.00 39.78 37.48 3ipv n ASN 36 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ipv s VAL 37 N 2.02 1.14 0.44 2.41 1.01 -1.26 -1.49 120.40 124.67 3ipv s VAL 37 Ca 0.92 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 3ipv s VAL 37 Cb -1.04 -1.01 0.10 0.00 0.00 0.00 0.00 36.38 34.43 3ipv s VAL 37 CO 0.57 0.34 0.59 -0.90 0.00 0.00 0.00 175.10 175.71 3ipv n ASP 38 N 3.40 0.18 0.24 3.32 5.68 -0.17 -4.87 116.55 124.34 3ipv n ASP 38 Ca -0.20 -1.30 0.12 0.00 -0.50 0.00 0.00 54.79 52.91 3ipv n ASP 38 Cb 0.53 -0.44 0.60 0.00 -1.14 0.00 0.00 41.12 40.67 3ipv n ASP 38 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3ipv h LYS 39 N 0.00 0.00 -0.01 0.11 3.64 -2.02 -1.87 116.57 116.42 3ipv h LYS 39 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3ipv h LYS 39 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3ipv h LYS 39 CO 0.15 0.17 -0.08 0.09 -2.27 0.00 0.00 179.45 177.50 3ipv n ASN 40 N -3.47 1.08 0.00 4.20 5.03 -1.26 -4.90 115.26 115.94 3ipv n ASN 40 Ca -0.01 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.29 3ipv n ASN 40 Cb 0.33 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 3ipv n ASN 40 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ipv n GLY 41 N 1.22 0.86 3.61 7.41 0.00 -0.70 -5.06 105.19 112.52 3ipv n GLY 41 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3ipv n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipv s VAL 42 N -2.03 5.00 0.73 1.61 1.01 -1.25 -4.77 120.40 120.69 3ipv s VAL 42 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 3ipv s VAL 42 Cb 0.00 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.49 3ipv s VAL 42 CO 0.00 -0.04 1.08 -2.16 0.00 0.00 0.00 175.10 173.99 3ipv s PRO 43 N 2.46 2.55 0.13 2.72 0.04 -1.26 -1.00 135.00 140.64 3ipv s PRO 43 Ca 0.23 1.16 0.09 0.00 0.04 0.00 0.00 61.00 62.52 3ipv s PRO 43 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3ipv s PRO 43 CO 0.10 -1.42 -0.18 -1.21 0.04 0.00 0.00 177.00 174.34 3ipv s GLU 44 N -4.77 1.77 0.71 4.56 0.41 -0.55 -4.80 118.70 116.02 3ipv s GLU 44 Ca 0.61 -1.24 -0.08 0.00 -0.41 0.00 0.00 54.97 53.85 3ipv s GLU 44 Cb -0.17 -2.08 0.16 0.00 -1.78 0.00 0.00 34.13 30.26 3ipv s GLU 44 CO 0.53 0.46 0.97 -0.35 -0.49 0.00 0.00 175.26 176.38 3ipv n PRO 45 N 0.64 -0.63 -2.60 0.39 -0.04 -1.26 -4.25 135.00 127.25 3ipv n PRO 45 Ca -0.15 -1.87 -0.21 0.00 -0.04 0.00 0.00 63.50 61.23 3ipv n PRO 45 Cb 0.53 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 3ipv n PRO 45 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3ipv n SER 46 N -3.39 -5.76 -4.62 3.54 7.64 -0.81 -4.96 113.62 105.27 3ipv n SER 46 Ca 0.13 -0.08 -0.32 0.00 1.01 0.00 0.00 58.87 59.61 3ipv n SER 46 Cb 0.47 -4.76 -0.10 0.00 -1.01 0.00 0.00 64.21 58.81 3ipv n SER 46 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ipv s SER 47 N -2.25 4.75 -0.13 6.43 0.15 -1.25 -4.98 113.70 116.42 3ipv s SER 47 Ca 0.10 -0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 3ipv s SER 47 Cb -0.04 -1.14 0.06 0.00 -1.71 0.00 0.00 66.02 63.19 3ipv s SER 47 CO 0.12 0.28 0.28 -0.22 1.20 0.00 0.00 173.24 174.89 3ipv s LEU 48 N -1.50 0.04 0.04 3.45 2.96 -1.26 -0.74 118.68 121.66 3ipv s LEU 48 Ca 0.18 0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 54.65 3ipv s LEU 48 Cb -0.11 0.82 -0.01 0.00 0.50 0.00 0.00 46.19 47.39 3ipv s LEU 48 CO 0.09 -0.20 0.11 -0.83 -1.32 0.00 0.00 176.35 174.19 3ipv s GLY 49 N 1.78 0.17 0.03 7.98 0.00 -0.85 -0.66 107.32 115.77 3ipv s GLY 49 Ca -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 3ipv s GLY 49 CO -0.09 -0.72 0.01 0.50 0.00 0.00 0.00 173.10 172.79 3ipv s ARG 50 N -2.82 0.47 -0.03 2.90 0.52 -0.39 -1.22 118.95 118.38 3ipv s ARG 50 Ca -0.03 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3ipv s ARG 50 Cb 0.00 0.17 0.03 0.00 0.52 0.00 0.00 34.95 35.67 3ipv s ARG 50 CO -0.06 -0.09 0.04 0.00 0.02 0.00 0.00 175.30 175.21 3ipv s ALA 51 N -2.41 0.20 0.01 2.13 0.00 -0.67 -0.78 121.76 120.23 3ipv s ALA 51 Ca -0.07 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.15 3ipv s ALA 51 Cb -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3ipv s ALA 51 CO -0.04 -0.27 -0.12 0.95 0.00 0.00 0.00 175.76 176.27 3ipv s THR 52 N 1.55 0.97 0.33 0.00 -4.23 -0.19 -0.72 115.64 113.35 3ipv s THR 52 Ca -0.03 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.53 3ipv s THR 52 Cb -0.13 -0.84 -0.12 0.00 1.34 0.00 0.00 72.50 72.76 3ipv s THR 52 CO -0.03 0.17 1.51 0.00 -0.54 0.00 0.00 174.62 175.72 3ipv n TYR 53 N 2.49 2.84 0.20 3.99 9.36 -0.92 -0.52 117.16 134.59 3ipv n TYR 53 Ca -0.15 0.38 0.06 0.00 3.32 0.00 0.00 57.90 61.51 3ipv n TYR 53 Cb 0.56 -2.54 0.39 0.00 -0.63 0.00 0.00 39.34 37.11 3ipv n TYR 53 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3ipv h SER 54 N 3.69 0.00 -3.37 2.98 4.64 -1.32 -3.43 113.55 116.75 3ipv h SER 54 Ca -0.49 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.25 3ipv h SER 54 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 3ipv h SER 54 CO 0.70 0.34 -0.09 0.00 -0.87 0.00 0.00 176.83 176.91 3ipv s ALA 55 N -3.78 3.49 0.53 5.18 0.00 -1.26 -5.03 121.76 120.89 3ipv s ALA 55 Ca -0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 3ipv s ALA 55 Cb 0.12 -2.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.44 3ipv s ALA 55 CO 0.68 -0.14 0.85 -2.30 0.00 0.00 0.00 175.76 174.85 3ipv n PRO 56 N 4.02 0.93 -5.25 0.00 -0.02 -1.26 -4.84 135.00 128.57 3ipv n PRO 56 Ca -0.06 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 3ipv n PRO 56 Cb 0.51 -1.99 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 3ipv n PRO 56 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ipv s ILE 57 N -1.49 2.11 -0.59 4.25 1.09 0.69 -4.94 121.20 122.31 3ipv s ILE 57 Ca 0.70 -1.05 -0.25 0.00 -1.10 0.00 0.00 60.65 58.95 3ipv s ILE 57 Cb -0.47 -1.76 0.04 0.00 -1.06 0.00 0.00 42.46 39.21 3ipv s ILE 57 CO 0.52 0.57 1.03 0.21 -0.10 0.00 0.00 174.94 177.18 3ipv s ASN 58 N -0.19 6.32 -0.08 3.58 3.84 -1.26 -1.03 114.94 126.11 3ipv s ASN 58 Ca -0.03 -0.34 0.19 0.00 0.21 0.00 0.00 52.86 52.89 3ipv s ASN 58 Cb -0.14 -2.47 -0.25 0.00 -0.55 0.00 0.00 41.25 37.84 3ipv s ASN 58 CO 0.03 -1.37 0.38 0.00 -2.79 0.00 0.00 177.10 173.35 3ipv n ILE 59 N 6.28 0.91 -3.96 -5.21 0.13 0.12 -4.71 119.36 112.92 3ipv n ILE 59 Ca 0.03 -0.71 -0.09 0.00 -1.10 0.00 0.00 62.75 60.88 3ipv n ILE 59 Cb 0.48 -0.39 -0.04 0.00 -0.84 0.00 0.00 39.64 38.85 3ipv n ILE 59 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 3ipv s TRP 60 N -2.92 0.25 -0.05 9.51 1.48 -1.17 0.67 118.94 126.71 3ipv s TRP 60 Ca -0.08 -0.64 -0.01 0.00 -1.06 0.00 0.00 56.10 54.32 3ipv s TRP 60 Cb 0.09 0.32 0.03 0.00 -1.16 0.00 0.00 33.47 32.75 3ipv s TRP 60 CO 0.85 -1.07 0.01 0.34 -4.06 0.00 0.00 176.95 173.02 3ipv s ASP 61 N -3.00 1.18 0.23 -2.66 2.15 -0.42 -4.62 116.67 109.54 3ipv s ASP 61 Ca 0.20 -0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.24 3ipv s ASP 61 Cb -0.02 -0.33 0.20 0.00 -0.30 0.00 0.00 42.92 42.47 3ipv s ASP 61 CO 0.09 -0.17 1.52 0.77 -0.17 0.00 0.00 175.17 177.21 3ipv h SER 62 N 8.00 0.00 -0.29 -0.34 4.64 -1.93 0.90 113.55 124.54 3ipv h SER 62 Ca -0.25 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 3ipv h SER 62 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3ipv h SER 62 CO 0.31 0.71 -0.39 0.00 -0.87 0.00 0.00 176.83 176.58 3ipv h ALA 63 N 1.29 0.65 0.00 5.18 0.00 -1.97 -3.18 119.26 121.22 3ipv h ALA 63 Ca -0.01 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 3ipv h ALA 63 Cb 1.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3ipv h ALA 63 CO 0.09 0.67 -1.65 0.25 0.00 0.00 0.00 179.25 178.61 3ipv n THR 64 N -4.05 1.16 -0.50 0.00 -2.24 -1.19 -4.97 114.28 102.50 3ipv n THR 64 Ca -0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3ipv n THR 64 Cb 0.54 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3ipv n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ipv n GLY 65 N 1.46 1.47 3.74 3.38 0.00 0.31 -5.03 105.19 110.52 3ipv n GLY 65 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3ipv n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipv s LEU 66 N 0.00 3.32 0.05 0.99 1.43 -1.21 -4.75 118.68 118.50 3ipv s LEU 66 Ca 0.00 2.21 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 3ipv s LEU 66 Cb 0.00 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 3ipv s LEU 66 CO 0.00 -2.07 -0.16 -0.69 0.23 0.00 0.00 176.35 173.66 3ipv s VAL 67 N -2.15 1.31 0.51 -1.59 1.01 -1.26 -1.30 120.40 116.93 3ipv s VAL 67 Ca 0.71 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 3ipv s VAL 67 Cb -0.26 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 3ipv s VAL 67 CO 0.44 0.05 1.07 0.00 0.00 0.00 0.00 175.10 176.66 3ipv s ALA 68 N -0.87 2.81 0.13 5.51 0.00 0.21 -4.68 121.76 124.87 3ipv s ALA 68 Ca 0.03 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 3ipv s ALA 68 Cb -0.08 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 3ipv s ALA 68 CO 0.02 -0.49 0.33 -1.12 0.00 0.00 0.00 175.76 174.50 3ipv s SER 69 N -1.99 6.43 0.15 0.00 0.01 -0.56 -4.23 113.70 113.52 3ipv s SER 69 Ca 0.69 0.46 -0.08 0.00 1.31 0.00 0.00 55.95 58.33 3ipv s SER 69 Cb -0.18 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 3ipv s SER 69 CO 0.23 0.06 0.25 0.72 0.41 0.00 0.00 173.24 174.92 3ipv s PHE 70 N -1.66 0.41 -0.00 2.43 -0.71 -0.94 -0.59 117.98 116.92 3ipv s PHE 70 Ca 0.39 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 3ipv s PHE 70 Cb -0.12 -0.10 -0.00 0.00 -1.21 0.00 0.00 43.02 41.59 3ipv s PHE 70 CO 0.26 -0.68 -0.00 0.00 -1.34 0.00 0.00 175.22 173.46 3ipv s ALA 71 N -3.96 0.04 0.05 1.99 0.00 -0.17 -0.28 121.76 119.42 3ipv s ALA 71 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3ipv s ALA 71 Cb 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3ipv s ALA 71 CO -0.01 0.01 -0.08 -0.08 0.00 0.00 0.00 175.76 175.60 3ipv s THR 72 N -0.00 0.57 -0.02 0.00 -1.32 0.11 -1.59 115.64 113.39 3ipv s THR 72 Ca 0.00 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.36 3ipv s THR 72 Cb -0.00 -0.69 0.01 0.00 -1.51 0.00 0.00 72.50 70.31 3ipv s THR 72 CO -0.00 -0.40 -0.05 -0.55 -2.21 0.00 0.00 174.62 171.41 3ipv s SER 73 N -1.67 0.73 0.16 8.08 0.15 0.29 -0.90 113.70 120.55 3ipv s SER 73 Ca -0.08 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.33 3ipv s SER 73 Cb -0.09 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 3ipv s SER 73 CO 0.00 0.01 0.39 0.72 1.20 0.00 0.00 173.24 175.56 3ipv s PHE 74 N 0.36 0.07 -0.11 3.44 -0.71 -0.87 -0.41 117.98 119.74 3ipv s PHE 74 Ca -0.04 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 55.45 3ipv s PHE 74 Cb -0.08 0.18 0.01 0.00 -1.21 0.00 0.00 43.02 41.92 3ipv s PHE 74 CO -0.00 -0.78 -0.18 0.50 -1.34 0.00 0.00 175.22 173.42 3ipv s ARG 75 N -3.89 2.49 0.03 1.99 3.52 -0.81 -1.25 118.95 121.03 3ipv s ARG 75 Ca 0.10 -0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 54.99 3ipv s ARG 75 Cb 0.01 -2.05 -0.01 0.00 -1.56 0.00 0.00 34.95 31.34 3ipv s ARG 75 CO -0.04 -0.03 0.08 -0.59 -0.81 0.00 0.00 175.30 173.92 3ipv s PHE 76 N 0.87 0.18 -0.05 5.12 -0.12 -0.19 -0.21 117.98 123.59 3ipv s PHE 76 Ca -0.08 -0.44 0.06 0.00 -0.05 0.00 0.00 56.93 56.42 3ipv s PHE 76 Cb -0.15 -0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 3ipv s PHE 76 CO -0.01 -0.32 -0.23 0.99 -0.05 0.00 0.00 175.22 175.60 3ipv s THR 77 N -2.18 1.90 -0.22 -4.49 2.01 -0.07 -0.03 115.64 112.55 3ipv s THR 77 Ca -0.09 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 3ipv s THR 77 Cb -0.04 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3ipv s THR 77 CO -0.03 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.72 3ipv s ILE 78 N -0.16 2.81 -0.12 1.82 1.01 -1.26 -1.72 121.20 123.59 3ipv s ILE 78 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3ipv s ILE 78 Cb -0.13 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3ipv s ILE 78 CO 0.03 0.34 -0.15 -0.47 0.00 0.00 0.00 174.94 174.69 3ipv s TYR 79 N 1.36 2.76 -0.13 3.97 5.04 -1.25 -0.33 117.35 128.78 3ipv s TYR 79 Ca 0.03 -0.66 0.01 0.00 -2.44 0.00 0.00 57.07 54.01 3ipv s TYR 79 Cb -0.15 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.37 3ipv s TYR 79 CO -0.06 -0.21 -0.15 0.00 -1.34 0.00 0.00 175.55 173.79 3ipv s ALA 80 N 0.25 1.80 0.28 3.97 0.00 -1.26 -0.72 121.76 126.08 3ipv s ALA 80 Ca -0.10 -0.83 0.24 0.00 0.00 0.00 0.00 51.96 51.27 3ipv s ALA 80 Cb -0.16 -0.94 1.14 0.00 0.00 0.00 0.00 23.12 23.16 3ipv s ALA 80 CO 0.06 -0.20 1.93 -1.00 0.00 0.00 0.00 175.76 176.55 3ipv h PRO 81 N 7.68 0.00 -3.63 0.00 0.13 -1.95 -3.38 132.00 130.85 3ipv h PRO 81 Ca -0.34 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.23 3ipv h PRO 81 Cb 1.16 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 3ipv h PRO 81 CO 0.51 0.20 -0.76 1.21 -0.23 0.00 0.00 178.00 178.93 3ipv s ASN 82 N -6.24 3.49 0.00 1.44 3.84 -1.26 -5.03 114.94 111.19 3ipv s ASN 82 Ca -0.01 -1.20 0.16 0.00 0.21 0.00 0.00 52.86 52.01 3ipv s ASN 82 Cb 0.12 -0.77 0.75 0.00 -0.55 0.00 0.00 41.25 40.80 3ipv s ASN 82 CO 0.62 -0.34 1.46 0.00 -2.79 0.00 0.00 177.10 176.05 3ipv n ILE 83 N 4.93 0.69 0.55 -5.21 0.13 -1.26 -1.85 119.36 117.33 3ipv n ILE 83 Ca -0.07 0.17 0.12 0.00 -1.10 0.00 0.00 62.75 61.88 3ipv n ILE 83 Cb 0.45 -0.91 0.26 0.00 -0.84 0.00 0.00 39.64 38.60 3ipv n ILE 83 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ipv h ALA 84 N 2.67 0.78 -2.66 1.51 0.00 -1.96 -3.41 119.26 116.19 3ipv h ALA 84 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3ipv h ALA 84 Cb 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.58 3ipv h ALA 84 CO 0.00 0.00 -0.83 0.95 0.00 0.00 0.00 179.25 179.37 3ipv s THR 85 N -3.15 1.02 0.20 0.00 -4.23 -0.77 -5.12 115.64 103.59 3ipv s THR 85 Ca 0.08 -2.81 0.09 0.00 -1.18 0.00 0.00 61.69 57.86 3ipv s THR 85 Cb 0.12 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 3ipv s THR 85 CO 0.67 -1.09 -0.17 0.27 -0.54 0.00 0.00 174.62 173.76 3ipv s ILE 86 N -0.03 1.87 0.00 2.99 -4.36 -1.26 -3.29 121.20 117.12 3ipv s ILE 86 Ca 0.26 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3ipv s ILE 86 Cb -0.07 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.64 3ipv s ILE 86 CO -0.12 -0.45 0.00 0.00 0.24 0.00 0.00 174.94 174.61 3ipv n ALA 87 N -0.13 0.00 -0.06 2.27 0.00 -1.26 -4.51 120.51 116.81 3ipv n ALA 87 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 3ipv n ALA 87 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 3ipv n ALA 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ipv n ASP 88 N 0.00 1.34 0.00 0.00 8.00 -0.14 -3.54 116.55 122.21 3ipv n ASP 88 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ipv n ASP 88 Cb 0.00 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 3ipv n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipv n GLY 89 N 2.00 0.73 3.51 0.44 0.00 -0.97 -1.73 105.19 109.17 3ipv n GLY 89 Ca -0.21 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 3ipv n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ipv s LEU 90 N 0.00 2.66 0.01 0.99 0.05 -0.97 -1.45 118.68 119.97 3ipv s LEU 90 Ca 0.00 -1.20 -0.10 0.00 0.05 0.00 0.00 54.13 52.87 3ipv s LEU 90 Cb 0.00 -0.88 0.01 0.00 -2.05 0.00 0.00 46.19 43.27 3ipv s LEU 90 CO 0.00 -0.26 0.21 0.00 -0.55 0.00 0.00 176.35 175.75 3ipv s ALA 91 N -2.74 -0.50 -0.13 1.48 0.00 0.28 -0.91 121.76 119.25 3ipv s ALA 91 Ca 0.32 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 3ipv s ALA 91 Cb 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3ipv s ALA 91 CO 0.15 -0.26 0.17 0.12 0.00 0.00 0.00 175.76 175.94 3ipv s PHE 92 N -1.65 3.56 0.08 0.00 5.36 -0.73 -1.22 117.98 123.38 3ipv s PHE 92 Ca -0.12 0.54 -0.08 0.00 -0.96 0.00 0.00 56.93 56.31 3ipv s PHE 92 Cb -0.05 -2.05 -0.00 0.00 -0.34 0.00 0.00 43.02 40.58 3ipv s PHE 92 CO 0.01 0.60 0.17 -0.59 -1.46 0.00 0.00 175.22 173.96 3ipv s PHE 93 N -0.65 0.17 -0.13 10.12 -0.71 0.26 -1.33 117.98 125.72 3ipv s PHE 93 Ca 0.14 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 3ipv s PHE 93 Cb -0.12 -0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.60 3ipv s PHE 93 CO 0.04 -0.52 -0.16 -0.51 -1.34 0.00 0.00 175.22 172.72 3ipv s LEU 94 N -2.82 2.52 0.31 -1.99 1.02 -0.83 -1.35 118.68 115.55 3ipv s LEU 94 Ca 0.04 -0.41 -0.10 0.00 0.02 0.00 0.00 54.13 53.69 3ipv s LEU 94 Cb 0.05 -1.55 0.01 0.00 0.02 0.00 0.00 46.19 44.71 3ipv s LEU 94 CO -0.11 0.15 0.54 0.00 0.02 0.00 0.00 176.35 176.96 3ipv s ALA 95 N 0.43 0.01 0.85 4.21 0.00 -0.91 -1.96 121.76 124.39 3ipv s ALA 95 Ca -0.12 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.64 3ipv s ALA 95 Cb -0.16 1.02 0.08 0.00 0.00 0.00 0.00 23.12 24.06 3ipv s ALA 95 CO 0.06 -0.86 1.01 -2.30 0.00 0.00 0.00 175.76 173.66 3ipv n PRO 96 N -0.48 -0.06 -0.33 0.00 -0.02 -1.24 -1.77 135.00 131.10 3ipv n PRO 96 Ca -0.02 0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.60 3ipv n PRO 96 Cb 0.61 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 32.07 3ipv n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ipv h VAL 97 N -1.24 0.79 -0.31 -1.45 2.07 -1.86 -2.12 116.25 112.13 3ipv h VAL 97 Ca -0.45 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ipv h VAL 97 Cb 1.29 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3ipv h VAL 97 CO 0.42 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.16 3ipv n ALA 98 N -2.37 2.82 -1.53 1.67 0.00 -1.26 -4.73 120.51 115.11 3ipv n ALA 98 Ca 0.19 -0.77 -0.35 0.00 0.00 0.00 0.00 53.44 52.52 3ipv n ALA 98 Cb 0.44 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.95 3ipv n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ipv s SER 99 N -0.67 4.54 0.10 0.00 1.04 -0.80 -5.03 113.70 112.88 3ipv s SER 99 Ca 0.25 2.41 0.02 0.00 0.48 0.00 0.00 55.95 59.11 3ipv s SER 99 Cb 0.16 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 3ipv s SER 99 CO 0.12 -2.04 -0.07 0.00 0.98 0.00 0.00 173.24 172.23 3ipv s ALA 100 N -1.78 1.03 0.14 5.32 0.00 -1.26 -5.06 121.76 120.15 3ipv s ALA 100 Ca 0.77 -1.33 -0.35 0.00 0.00 0.00 0.00 51.96 51.05 3ipv s ALA 100 Cb -0.31 0.13 -0.16 0.00 0.00 0.00 0.00 23.12 22.78 3ipv s ALA 100 CO 0.41 -0.19 1.31 -2.30 0.00 0.00 0.00 175.76 174.99 3ipv n PRO 101 N 0.04 1.34 0.00 0.00 -0.02 -1.26 -4.97 135.00 130.13 3ipv n PRO 101 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3ipv n PRO 101 Cb 0.60 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3ipv n PRO 101 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ipv n ASP 102 N 2.41 0.00 -4.77 2.55 8.00 -0.00 -5.00 116.55 119.74 3ipv n ASP 102 Ca 0.16 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.31 3ipv n ASP 102 Cb 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 3ipv n ASP 102 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ipv s SER 103 N -1.00 5.69 0.00 -2.24 0.15 -1.13 -4.61 113.70 110.55 3ipv s SER 103 Ca 0.00 2.23 0.00 0.00 0.70 0.00 0.00 55.95 58.88 3ipv s SER 103 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3ipv s SER 103 CO 0.00 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.80 3ipv n GLY 104 N 0.24 1.36 7.00 9.45 0.00 -1.26 -1.37 105.19 120.60 3ipv n GLY 104 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3ipv n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipv n GLY 105 N 5.00 2.26 0.04 -0.02 0.00 -1.26 -1.10 105.19 110.10 3ipv n GLY 105 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3ipv n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipv n GLY 106 N 0.00 -0.65 0.05 -0.02 0.00 -1.26 -1.11 105.19 102.20 3ipv n GLY 106 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3ipv n GLY 106 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ipv n PHE 107 N -1.69 0.00 -1.70 1.61 3.72 -0.26 -4.95 117.46 114.19 3ipv n PHE 107 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 3ipv n PHE 107 Cb 0.03 -0.30 -0.07 0.00 -0.94 0.00 0.00 39.48 38.20 3ipv n PHE 107 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ipv n LEU 108 N -1.25 -1.49 0.00 4.37 4.77 -0.26 -1.26 117.00 121.88 3ipv n LEU 108 Ca 0.11 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3ipv n LEU 108 Cb 0.30 -2.70 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 3ipv n LEU 108 CO 0.27 -0.88 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 3ipv n GLY 109 N -0.67 0.45 0.00 -0.72 0.00 -0.47 -4.09 105.19 99.69 3ipv n GLY 109 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 3ipv n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ipv n LEU 110 N 0.00 0.00 -4.19 0.99 4.77 -0.39 -0.82 117.00 117.36 3ipv n LEU 110 Ca 0.00 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3ipv n LEU 110 Cb 0.11 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 3ipv n LEU 110 CO 0.00 0.00 -0.31 -0.36 -1.33 0.00 0.00 177.39 175.39 3ipv s PHE 111 N -2.06 1.03 -0.09 -1.77 0.08 -1.18 -4.83 117.98 109.16 3ipv s PHE 111 Ca -0.00 -1.13 0.19 0.00 0.12 0.00 0.00 56.93 56.10 3ipv s PHE 111 Cb 0.01 -0.59 -0.28 0.00 -0.57 0.00 0.00 43.02 41.59 3ipv s PHE 111 CO 0.04 -0.37 0.44 -0.25 -0.10 0.00 0.00 175.22 174.98 3ipv n ASP 112 N -0.16 0.75 -3.05 1.36 8.00 -1.26 -2.84 116.55 119.34 3ipv n ASP 112 Ca -0.06 -0.07 -0.06 0.00 0.71 0.00 0.00 54.79 55.30 3ipv n ASP 112 Cb 0.63 1.79 0.02 0.00 -0.02 0.00 0.00 41.12 43.55 3ipv n ASP 112 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ipv s SER 113 N -4.04 0.02 0.43 -2.24 1.04 -1.26 -4.90 113.70 102.75 3ipv s SER 113 Ca -0.06 -0.98 0.16 0.00 0.48 0.00 0.00 55.95 55.55 3ipv s SER 113 Cb 0.12 0.71 0.95 0.00 0.10 0.00 0.00 66.02 67.91 3ipv s SER 113 CO 0.77 -1.42 1.93 0.00 0.98 0.00 0.00 173.24 175.50 3ipv h ALA 114 N 2.00 1.49 -2.75 5.32 0.00 -1.97 -3.41 119.26 119.95 3ipv h ALA 114 Ca -0.31 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 3ipv h ALA 114 Cb 1.24 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 19.03 3ipv h ALA 114 CO 0.40 0.31 0.63 0.08 0.00 0.00 0.00 179.25 180.67 3ipv s VAL 115 N -4.37 3.10 0.43 0.00 1.01 -1.26 -4.42 120.40 114.90 3ipv s VAL 115 Ca -0.03 0.98 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 3ipv s VAL 115 Cb 0.15 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 3ipv s VAL 115 CO 0.69 0.18 1.31 -0.55 0.00 0.00 0.00 175.10 176.73 3ipv s SER 116 N -0.03 6.15 -0.29 3.32 0.15 -1.26 -4.75 113.70 116.99 3ipv s SER 116 Ca 0.53 2.66 -0.15 0.00 0.70 0.00 0.00 55.95 59.69 3ipv s SER 116 Cb -0.37 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.43 3ipv s SER 116 CO 0.43 -0.96 0.80 -0.83 1.20 0.00 0.00 173.24 173.88 3ipv s GLY 117 N -0.80 -0.41 0.40 9.45 0.00 -0.60 -5.03 107.32 110.33 3ipv s GLY 117 Ca 0.59 2.70 0.28 0.00 0.00 0.00 0.00 44.72 48.30 3ipv s GLY 117 CO 0.48 2.70 1.85 1.76 0.00 0.00 0.00 173.10 179.89 3ipv h SER 118 N 6.99 0.00 1.60 1.64 0.02 -1.97 -2.58 113.55 119.24 3ipv h SER 118 Ca -0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3ipv h SER 118 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3ipv h SER 118 CO 0.15 0.00 -0.10 0.74 -1.14 0.00 0.00 176.83 176.48 3ipv h THR 119 N 0.00 0.19 -0.95 -2.27 2.02 -1.96 -3.01 112.91 106.93 3ipv h THR 119 Ca 0.00 -1.09 0.07 0.00 0.77 0.00 0.00 66.41 66.15 3ipv h THR 119 Cb 0.15 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 3ipv h THR 119 CO 0.00 0.10 0.61 1.88 0.37 0.00 0.00 175.52 178.48 3ipv h TYR 120 N 0.00 1.13 -6.76 3.16 0.05 -1.80 -3.46 116.97 109.29 3ipv h TYR 120 Ca -0.00 0.03 -0.55 0.00 0.05 0.00 0.00 58.73 58.26 3ipv h TYR 120 Cb 0.93 -0.37 -0.13 0.00 1.01 0.00 0.00 36.73 38.17 3ipv h TYR 120 CO 0.00 0.58 -0.92 1.04 -1.05 0.00 0.00 178.16 177.81 3ipv n GLN 121 N -4.55 -2.31 -4.72 4.88 6.02 -1.14 -4.58 117.38 110.98 3ipv n GLN 121 Ca 0.14 0.27 -0.26 0.00 -0.01 0.00 0.00 57.00 57.15 3ipv n GLN 121 Cb 0.18 -4.20 -0.17 0.00 1.02 0.00 0.00 30.24 27.08 3ipv n GLN 121 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ipv s THR 122 N -4.07 1.33 -0.08 5.09 2.01 -1.25 -3.73 115.64 114.93 3ipv s THR 122 Ca 0.06 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.51 3ipv s THR 122 Cb -0.03 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 3ipv s THR 122 CO 0.94 0.40 -0.22 -0.69 -0.69 0.00 0.00 174.62 174.35 3ipv s VAL 123 N 0.59 2.25 0.02 3.82 1.01 -0.83 -0.97 120.40 126.29 3ipv s VAL 123 Ca -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 3ipv s VAL 123 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3ipv s VAL 123 CO 0.05 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.75 3ipv s ALA 124 N 0.06 -0.05 -0.33 5.51 0.00 0.47 -1.96 121.76 125.47 3ipv s ALA 124 Ca -0.10 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 3ipv s ALA 124 Cb -0.15 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3ipv s ALA 124 CO 0.06 -0.20 0.09 0.08 0.00 0.00 0.00 175.76 175.79 3ipv s VAL 125 N -1.59 3.76 0.23 0.00 1.01 -0.44 -0.79 120.40 122.58 3ipv s VAL 125 Ca -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 3ipv s VAL 125 Cb -0.08 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3ipv s VAL 125 CO -0.01 -0.11 0.49 -1.83 0.00 0.00 0.00 175.10 173.64 3ipv s GLU 126 N 1.41 3.64 -0.46 2.72 -1.05 -0.24 -1.78 118.70 122.94 3ipv s GLU 126 Ca -0.01 -0.03 0.03 0.00 -0.15 0.00 0.00 54.97 54.81 3ipv s GLU 126 Cb -0.19 -2.72 0.14 0.00 -0.44 0.00 0.00 34.13 30.91 3ipv s GLU 126 CO 0.02 0.32 0.25 -0.06 0.95 0.00 0.00 175.26 176.74 3ipv s PHE 127 N -1.91 2.29 -0.27 4.83 0.40 -0.09 -1.48 117.98 121.76 3ipv s PHE 127 Ca 0.43 -2.62 -0.15 0.00 -0.60 0.00 0.00 56.93 53.99 3ipv s PHE 127 Cb -0.11 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3ipv s PHE 127 CO 0.27 -0.77 0.36 0.34 0.70 0.00 0.00 175.22 176.12 3ipv s ASP 128 N 0.16 6.23 -0.01 1.36 -1.08 -0.39 -2.28 116.67 120.67 3ipv s ASP 128 Ca 0.18 0.26 0.19 0.00 -0.52 0.00 0.00 52.55 52.66 3ipv s ASP 128 Cb -0.24 -2.20 0.54 0.00 -1.46 0.00 0.00 42.92 39.56 3ipv s ASP 128 CO -0.00 -0.18 1.45 0.35 0.52 0.00 0.00 175.17 177.31 3ipv n THR 129 N 5.11 1.06 -3.75 1.71 -2.24 -0.70 -2.54 114.28 112.92 3ipv n THR 129 Ca -0.09 -1.02 -0.12 0.00 -2.27 0.00 0.00 64.05 60.55 3ipv n THR 129 Cb 0.51 0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 69.09 3ipv n THR 129 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ipv s TYR 130 N -1.06 -0.34 -0.37 4.78 6.14 -1.25 -4.17 117.35 121.08 3ipv s TYR 130 Ca 0.41 0.80 -0.29 0.00 0.64 0.00 0.00 57.07 58.63 3ipv s TYR 130 Cb 0.22 0.09 0.02 0.00 0.42 0.00 0.00 41.96 42.71 3ipv s TYR 130 CO 0.27 -0.20 1.09 -2.00 0.64 0.00 0.00 175.55 175.35 3ipv s GLU 131 N 0.73 3.95 -0.45 4.97 2.12 -1.26 -4.97 118.70 123.80 3ipv s GLU 131 Ca -0.05 0.90 -0.12 0.00 0.36 0.00 0.00 54.97 56.06 3ipv s GLU 131 Cb -0.06 -3.79 0.08 0.00 0.26 0.00 0.00 34.13 30.62 3ipv s GLU 131 CO -0.05 -1.05 0.33 -0.80 -0.54 0.00 0.00 175.26 173.15 3ipv s ASN 132 N 1.91 5.89 0.27 -1.70 -0.87 -1.26 -4.97 114.94 114.21 3ipv s ASN 132 Ca 0.46 -1.45 0.01 0.00 -1.57 0.00 0.00 52.86 50.31 3ipv s ASN 132 Cb -0.11 -2.08 0.38 0.00 -0.02 0.00 0.00 41.25 39.42 3ipv s ASN 132 CO 0.21 -0.60 1.71 0.71 -2.57 0.00 0.00 177.10 176.56 3ipv h THR 133 N 5.93 1.26 0.00 1.60 1.35 -1.93 -1.16 112.91 119.96 3ipv h THR 133 Ca -0.26 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3ipv h THR 133 Cb 1.10 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3ipv h THR 133 CO 0.82 0.40 0.00 0.52 -0.25 0.00 0.00 175.52 177.02 3ipv n VAL 134 N -4.13 0.24 0.03 6.82 0.31 -1.26 -0.57 118.33 119.77 3ipv n VAL 134 Ca -0.00 0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.49 3ipv n VAL 134 Cb 0.40 -0.75 0.21 0.00 -0.91 0.00 0.00 33.84 32.79 3ipv n VAL 134 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3ipv n PHE 135 N -1.16 0.56 -2.60 3.52 3.72 -0.49 -4.87 117.46 116.13 3ipv n PHE 135 Ca 0.12 -0.35 -0.19 0.00 -0.05 0.00 0.00 57.45 56.98 3ipv n PHE 135 Cb 0.12 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3ipv n PHE 135 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3ipv n THR 136 N 1.19 -1.05 -1.71 4.37 -1.04 0.26 -4.38 114.28 111.92 3ipv n THR 136 Ca 0.17 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.76 3ipv n THR 136 Cb 0.53 -2.60 -0.01 0.00 -1.82 0.00 0.00 70.33 66.43 3ipv n THR 136 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ipv n ASP 137 N -2.07 3.06 -4.69 8.00 8.00 -0.89 -4.95 116.55 123.01 3ipv n ASP 137 Ca -0.17 1.19 -0.30 0.00 0.71 0.00 0.00 54.79 56.23 3ipv n ASP 137 Cb 0.64 -1.51 0.15 0.00 -0.02 0.00 0.00 41.12 40.38 3ipv n ASP 137 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3ipv s PRO 138 N -1.54 0.97 0.00 -0.24 0.04 -1.26 -4.78 135.00 128.20 3ipv s PRO 138 Ca 0.58 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3ipv s PRO 138 Cb -0.56 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3ipv s PRO 138 CO 0.59 -2.44 0.05 -2.30 0.04 0.00 0.00 177.00 172.95 3ipv n PRO 139 N -4.02 0.06 -3.98 0.56 -0.02 -1.26 -4.73 135.00 121.61 3ipv n PRO 139 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 3ipv n PRO 139 Cb 0.55 -1.01 -0.07 0.00 -0.02 0.00 0.00 33.50 32.96 3ipv n PRO 139 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ipv s TYR 140 N -1.79 0.45 0.47 6.00 -0.85 -1.26 -5.07 117.35 115.30 3ipv s TYR 140 Ca 0.00 -0.81 -0.24 0.00 -0.52 0.00 0.00 57.07 55.50 3ipv s TYR 140 Cb 0.00 -0.07 -0.07 0.00 0.38 0.00 0.00 41.96 42.20 3ipv s TYR 140 CO 0.00 -0.75 1.33 0.95 -1.52 0.00 0.00 175.55 175.56 3ipv s THR 141 N -3.99 2.40 0.16 -3.49 -4.23 -1.26 -4.89 115.64 100.34 3ipv s THR 141 Ca 0.19 0.33 -0.23 0.00 -1.18 0.00 0.00 61.69 60.80 3ipv s THR 141 Cb 0.03 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.76 3ipv s THR 141 CO 0.02 0.02 0.61 -1.38 -0.54 0.00 0.00 174.62 173.35 3ipv s HIS 142 N -1.31 -0.53 -0.02 3.99 -0.00 -1.05 -1.71 115.29 114.67 3ipv s HIS 142 Ca 0.63 0.31 -0.02 0.00 -0.00 0.00 0.00 55.06 55.99 3ipv s HIS 142 Cb -0.39 0.56 -0.04 0.00 -0.00 0.00 0.00 32.58 32.72 3ipv s HIS 142 CO 0.48 -0.86 0.12 0.42 -0.00 0.00 0.00 174.74 174.90 3ipv s ILE 143 N -3.75 5.06 0.04 -5.38 1.01 -0.46 -1.26 121.20 116.46 3ipv s ILE 143 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 3ipv s ILE 143 Cb -0.01 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 3ipv s ILE 143 CO -0.12 0.37 0.15 -0.83 0.00 0.00 0.00 174.94 174.50 3ipv s GLY 144 N -1.75 0.10 -0.21 6.18 0.00 -0.55 -1.53 107.32 109.56 3ipv s GLY 144 Ca 0.24 -0.42 -0.08 0.00 0.00 0.00 0.00 44.72 44.46 3ipv s GLY 144 CO 0.15 -0.57 0.08 -1.36 0.00 0.00 0.00 173.10 171.39 3ipv s PHE 145 N -2.60 3.20 -0.21 1.90 0.08 -0.47 -1.08 117.98 118.80 3ipv s PHE 145 Ca -0.05 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.92 3ipv s PHE 145 Cb -0.01 -2.15 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 3ipv s PHE 145 CO -0.04 -0.01 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.47 3ipv s ASP 146 N 0.84 3.98 -0.35 1.36 1.01 0.03 -0.01 116.67 123.53 3ipv s ASP 146 Ca 0.04 -0.51 0.03 0.00 0.71 0.00 0.00 52.55 52.83 3ipv s ASP 146 Cb -0.14 -1.66 0.10 0.00 1.01 0.00 0.00 42.92 42.24 3ipv s ASP 146 CO 0.02 -0.02 0.07 -0.69 0.21 0.00 0.00 175.17 174.76 3ipv s VAL 147 N 1.41 2.09 -1.55 -1.27 1.01 -1.26 -0.39 120.40 120.44 3ipv s VAL 147 Ca 0.05 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.74 3ipv s VAL 147 Cb -0.14 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3ipv s VAL 147 CO -0.06 -0.63 0.00 0.59 0.00 0.00 0.00 175.10 175.00 3ipv n ASN 148 N 4.24 -5.61 -3.69 3.32 3.02 -0.14 -4.91 115.26 111.49 3ipv n ASN 148 Ca 0.03 0.36 -0.14 0.00 -0.03 0.00 0.00 54.58 54.81 3ipv n ASN 148 Cb 0.41 -4.40 -0.09 0.00 -0.61 0.00 0.00 39.78 35.10 3ipv n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ipv s SER 149 N -2.56 -0.48 0.52 6.41 0.15 -1.26 -1.55 113.70 114.94 3ipv s SER 149 Ca 0.00 0.81 0.31 0.00 0.70 0.00 0.00 55.95 57.77 3ipv s SER 149 Cb 0.00 0.84 1.20 0.00 -1.71 0.00 0.00 66.02 66.34 3ipv s SER 149 CO 0.00 -0.27 1.92 -0.29 1.20 0.00 0.00 173.24 175.80 3ipv h ILE 150 N 4.11 0.11 -1.14 6.45 6.09 -1.79 -3.39 117.51 127.95 3ipv h ILE 150 Ca -0.28 -0.67 -0.45 0.00 -1.37 0.00 0.00 64.86 62.09 3ipv h ILE 150 Cb 1.17 1.60 -0.07 0.00 0.47 0.00 0.00 36.82 39.99 3ipv h ILE 150 CO 0.25 0.04 1.12 -0.44 -3.07 0.00 0.00 178.15 176.06 3ipv s SER 151 N -5.84 5.77 0.16 2.19 0.01 -1.26 -4.97 113.70 109.77 3ipv s SER 151 Ca 0.01 -0.86 -0.33 0.00 1.31 0.00 0.00 55.95 56.09 3ipv s SER 151 Cb 0.09 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.60 3ipv s SER 151 CO 0.57 -2.15 1.05 -1.20 0.41 0.00 0.00 173.24 171.93 3ipv n SER 152 N 11.47 0.82 0.21 2.44 7.64 -1.26 -4.79 113.62 130.15 3ipv n SER 152 Ca 0.32 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.43 3ipv n SER 152 Cb 0.49 -1.15 0.42 0.00 -1.01 0.00 0.00 64.21 62.96 3ipv n SER 152 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3ipv h ILE 153 N 2.43 0.69 -2.57 0.44 3.07 -0.77 -3.45 117.51 117.35 3ipv h ILE 153 Ca -0.42 -1.25 -0.09 0.00 1.55 0.00 0.00 64.86 64.65 3ipv h ILE 153 Cb 1.37 1.81 -0.20 0.00 -0.27 0.00 0.00 36.82 39.53 3ipv h ILE 153 CO 0.67 0.27 -0.08 -0.75 -1.05 0.00 0.00 178.15 177.22 3ipv s LYS 154 N -3.66 0.82 0.18 0.16 2.20 -1.24 -5.01 119.74 113.19 3ipv s LYS 154 Ca 0.00 0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 3ipv s LYS 154 Cb 0.11 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 3ipv s LYS 154 CO 0.66 -0.23 0.10 0.95 -0.36 0.00 0.00 175.35 176.46 3ipv s THR 155 N -1.13 0.12 0.18 3.43 -4.23 -1.26 -1.37 115.64 111.38 3ipv s THR 155 Ca -0.11 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 3ipv s THR 155 Cb -0.03 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3ipv s THR 155 CO 0.06 -0.18 0.40 0.54 -0.54 0.00 0.00 174.62 174.90 3ipv s VAL 156 N -4.06 0.05 0.32 2.29 0.11 -0.59 -4.98 120.40 113.54 3ipv s VAL 156 Ca 0.33 -1.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.00 3ipv s VAL 156 Cb 0.07 -1.71 -0.10 0.00 -1.53 0.00 0.00 36.38 33.12 3ipv s VAL 156 CO 0.08 -0.22 1.17 -0.75 -3.33 0.00 0.00 175.10 172.06 3ipv s LYS 157 N -3.92 4.43 -0.06 1.54 2.20 -1.26 -1.36 119.74 121.31 3ipv s LYS 157 Ca 0.13 1.92 -0.01 0.00 -0.36 0.00 0.00 55.97 57.65 3ipv s LYS 157 Cb 0.01 -3.03 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3ipv s LYS 157 CO -0.01 -0.02 0.01 -0.46 -0.36 0.00 0.00 175.35 174.51 3ipv s TRP 158 N -1.22 0.54 -0.53 4.03 -0.00 -0.69 -4.73 118.94 116.34 3ipv s TRP 158 Ca 0.49 -0.08 -0.24 0.00 -0.00 0.00 0.00 56.10 56.26 3ipv s TRP 158 Cb -0.34 -0.73 0.04 0.00 -0.00 0.00 0.00 33.47 32.44 3ipv s TRP 158 CO 0.44 -0.30 0.93 -1.12 -0.00 0.00 0.00 176.95 176.90 3ipv s SER 159 N 2.00 6.38 0.11 5.86 0.01 -1.26 -3.99 113.70 122.80 3ipv s SER 159 Ca 0.05 -0.24 -0.31 0.00 1.31 0.00 0.00 55.95 56.76 3ipv s SER 159 Cb -0.12 -2.44 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 3ipv s SER 159 CO -0.05 -1.18 1.86 -0.22 0.41 0.00 0.00 173.24 174.06 3ipv s LEU 160 N 3.89 4.41 -0.54 2.44 2.96 -1.26 -4.96 118.68 125.61 3ipv s LEU 160 Ca 0.32 2.74 -0.20 0.00 -0.22 0.00 0.00 54.13 56.77 3ipv s LEU 160 Cb -0.12 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.08 3ipv s LEU 160 CO 0.21 -1.02 0.71 0.00 -1.32 0.00 0.00 176.35 174.93 3ipv s ALA 161 N 3.07 3.34 -0.08 5.97 0.00 -1.26 -5.02 121.76 127.78 3ipv s ALA 161 Ca 0.82 -1.79 -0.35 0.00 0.00 0.00 0.00 51.96 50.64 3ipv s ALA 161 Cb -0.45 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.06 3ipv s ALA 161 CO 0.37 -2.19 1.80 -1.71 0.00 0.00 0.00 175.76 174.04 3ipv n ASN 162 N 6.48 3.15 -0.15 0.00 5.15 -1.26 -2.28 115.26 126.34 3ipv n ASN 162 Ca -0.06 1.01 -0.02 0.00 -0.60 0.00 0.00 54.58 54.91 3ipv n ASN 162 Cb 0.45 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.36 3ipv n ASN 162 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ipv n GLY 163 N 4.17 0.53 3.51 8.20 0.00 0.56 -4.96 105.19 117.19 3ipv n GLY 163 Ca 0.22 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3ipv n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ipv s GLU 164 N -1.24 2.03 0.04 1.61 0.41 -0.97 -4.91 118.70 115.67 3ipv s GLU 164 Ca 0.00 -1.04 -0.30 0.00 -0.41 0.00 0.00 54.97 53.22 3ipv s GLU 164 Cb 0.00 -2.22 -0.05 0.00 -1.78 0.00 0.00 34.13 30.09 3ipv s GLU 164 CO 0.00 0.52 1.09 0.00 -0.49 0.00 0.00 175.26 176.38 3ipv s ALA 165 N -1.07 3.29 -0.16 5.21 0.00 -1.26 -4.38 121.76 123.38 3ipv s ALA 165 Ca 0.18 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 3ipv s ALA 165 Cb -0.11 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3ipv s ALA 165 CO 0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 175.76 175.48 3ipv s ALA 166 N 0.96 2.95 -0.26 0.00 0.00 0.95 -4.25 121.76 122.11 3ipv s ALA 166 Ca 0.55 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 3ipv s ALA 166 Cb -0.26 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3ipv s ALA 166 CO 0.29 0.17 0.15 0.15 0.00 0.00 0.00 175.76 176.52 3ipv s LYS 167 N 0.45 3.89 -0.07 0.00 1.02 -0.15 -1.02 119.74 123.85 3ipv s LYS 167 Ca -0.04 -0.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 3ipv s LYS 167 Cb -0.14 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 3ipv s LYS 167 CO 0.03 -0.13 -0.05 0.08 -0.92 0.00 0.00 175.35 174.36 3ipv s VAL 168 N 1.58 3.90 -0.09 3.17 1.01 -0.38 -1.39 120.40 128.19 3ipv s VAL 168 Ca 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3ipv s VAL 168 Cb -0.15 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.63 3ipv s VAL 168 CO 0.08 0.60 -0.14 -0.22 0.00 0.00 0.00 175.10 175.42 3ipv s LEU 169 N -0.83 1.65 -0.08 3.92 2.96 -0.72 -2.06 118.68 123.52 3ipv s LEU 169 Ca 0.13 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3ipv s LEU 169 Cb -0.11 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.61 3ipv s LEU 169 CO 0.02 0.02 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.22 3ipv s ILE 170 N 0.89 1.87 0.05 6.68 1.01 -0.08 -1.04 121.20 130.59 3ipv s ILE 170 Ca -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3ipv s ILE 170 Cb -0.15 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3ipv s ILE 170 CO 0.01 0.52 -0.09 0.42 0.00 0.00 0.00 174.94 175.80 3ipv s THR 171 N 0.29 0.65 -0.08 2.92 -4.23 -0.10 0.05 115.64 115.14 3ipv s THR 171 Ca -0.15 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 3ipv s THR 171 Cb -0.17 -0.81 0.03 0.00 1.34 0.00 0.00 72.50 72.89 3ipv s THR 171 CO 0.07 -0.42 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.25 3ipv s TYR 172 N -1.64 0.77 -0.47 3.99 5.04 0.61 -0.92 117.35 124.73 3ipv s TYR 172 Ca -0.06 -0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.20 3ipv s TYR 172 Cb -0.08 -0.85 0.09 0.00 0.35 0.00 0.00 41.96 41.46 3ipv s TYR 172 CO 0.00 -0.35 0.37 1.21 -1.34 0.00 0.00 175.55 175.44 3ipv s ASN 173 N 1.92 5.97 0.52 4.32 3.84 -0.72 -2.21 114.94 128.59 3ipv s ASN 173 Ca 0.05 -1.48 0.24 0.00 0.21 0.00 0.00 52.86 51.88 3ipv s ASN 173 Cb -0.12 -2.12 1.43 0.00 -0.55 0.00 0.00 41.25 39.89 3ipv s ASN 173 CO -0.05 -0.65 2.11 0.77 -2.79 0.00 0.00 177.10 176.49 3ipv h SER 174 N 8.65 0.00 -0.84 -4.21 4.64 -1.85 0.32 113.55 120.27 3ipv h SER 174 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3ipv h SER 174 Cb 1.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 3ipv h SER 174 CO 0.86 0.09 0.47 0.00 -0.87 0.00 0.00 176.83 177.39 3ipv h ALA 175 N 1.91 1.07 0.00 5.18 0.00 -1.92 -3.09 119.26 122.41 3ipv h ALA 175 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ipv h ALA 175 Cb 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ipv h ALA 175 CO 0.01 0.57 -0.86 1.33 0.00 0.00 0.00 179.25 180.30 3ipv n VAL 176 N -4.40 0.00 -1.45 0.00 0.24 -0.98 -4.98 118.33 106.75 3ipv n VAL 176 Ca 0.08 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.34 62.15 3ipv n VAL 176 Cb 0.08 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.38 3ipv n VAL 176 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ipv n LYS 177 N -1.43 -1.48 -2.98 7.34 5.02 0.11 -4.94 118.16 119.80 3ipv n LYS 177 Ca 0.03 1.04 -0.41 0.00 -2.02 0.00 0.00 58.31 56.95 3ipv n LYS 177 Cb 0.28 -5.39 -0.05 0.00 -0.02 0.00 0.00 35.03 29.85 3ipv n LYS 177 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3ipv s LEU 178 N -3.55 4.09 -0.13 -0.35 2.96 -1.21 -1.38 118.68 119.11 3ipv s LEU 178 Ca 0.00 0.93 -0.13 0.00 -0.22 0.00 0.00 54.13 54.71 3ipv s LEU 178 Cb 0.00 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 3ipv s LEU 178 CO 0.00 -0.43 0.29 -0.22 -1.32 0.00 0.00 176.35 174.67 3ipv s LEU 179 N 2.55 4.30 -0.03 -0.68 2.96 0.22 -1.75 118.68 126.25 3ipv s LEU 179 Ca 0.32 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 3ipv s LEU 179 Cb -0.16 -2.36 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 3ipv s LEU 179 CO 0.09 0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.46 3ipv s VAL 180 N 0.03 1.13 -0.02 1.68 1.01 -0.10 -1.51 120.40 122.62 3ipv s VAL 180 Ca 0.17 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3ipv s VAL 180 Cb -0.13 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 3ipv s VAL 180 CO 0.05 0.33 -0.12 0.00 0.00 0.00 0.00 175.10 175.36 3ipv s ALA 181 N -0.01 1.06 0.06 5.51 0.00 -0.17 -0.93 121.76 127.28 3ipv s ALA 181 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3ipv s ALA 181 Cb -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3ipv s ALA 181 CO 0.01 0.21 -0.09 -1.54 0.00 0.00 0.00 175.76 174.34 3ipv s SER 182 N -0.01 1.10 -0.02 0.00 1.04 -0.21 -0.70 113.70 114.90 3ipv s SER 182 Ca -0.00 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.82 3ipv s SER 182 Cb -0.08 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.07 3ipv s SER 182 CO 0.00 -0.20 -0.06 -0.22 0.98 0.00 0.00 173.24 173.74 3ipv s LEU 183 N -1.81 1.74 -0.01 2.42 0.20 -0.58 -1.75 118.68 118.89 3ipv s LEU 183 Ca -0.05 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.67 3ipv s LEU 183 Cb -0.08 -0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 3ipv s LEU 183 CO 0.00 0.03 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.30 3ipv s VAL 184 N 0.27 0.82 -0.44 1.68 1.01 -0.49 -0.45 120.40 122.79 3ipv s VAL 184 Ca -0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3ipv s VAL 184 Cb -0.08 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.68 3ipv s VAL 184 CO 0.00 0.24 0.32 -0.31 0.00 0.00 0.00 175.10 175.35 3ipv s TYR 185 N -0.16 3.29 0.46 5.22 2.02 -0.71 -0.98 117.35 126.49 3ipv s TYR 185 Ca 0.03 -1.21 0.13 0.00 -0.37 0.00 0.00 57.07 55.65 3ipv s TYR 185 Cb -0.05 -3.03 1.03 0.00 -0.40 0.00 0.00 41.96 39.51 3ipv s TYR 185 CO -0.00 -0.81 2.03 -1.35 -1.57 0.00 0.00 175.55 173.85 3ipv h PRO 186 N 8.58 0.08 0.23 -1.71 0.10 -1.88 0.31 132.00 137.71 3ipv h PRO 186 Ca -0.26 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.83 3ipv h PRO 186 Cb 1.10 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 32.17 3ipv h PRO 186 CO 0.81 0.17 -0.20 0.66 0.10 0.00 0.00 178.00 179.54 3ipv h SER 187 N 0.08 -0.54 0.45 -2.05 4.64 -1.94 -3.17 113.55 111.03 3ipv h SER 187 Ca 0.02 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3ipv h SER 187 Cb 0.21 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3ipv h SER 187 CO 0.01 -0.31 -0.87 -1.20 -0.87 0.00 0.00 176.83 173.59 3ipv n SER 188 N -5.33 0.63 -1.47 4.97 7.64 -1.13 -4.97 113.62 113.96 3ipv n SER 188 Ca -0.08 -0.25 -0.18 0.00 1.01 0.00 0.00 58.87 59.37 3ipv n SER 188 Cb 0.24 0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 64.01 3ipv n SER 188 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ipv n LYS 189 N -1.84 -1.26 -2.90 1.43 5.02 0.11 -5.01 118.16 113.71 3ipv n LYS 189 Ca 0.03 1.07 -0.25 0.00 -2.02 0.00 0.00 58.31 57.14 3ipv n LYS 189 Cb 0.41 -5.36 0.01 0.00 -0.02 0.00 0.00 35.03 30.06 3ipv n LYS 189 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ipv s THR 190 N -2.70 4.46 -0.14 -0.18 -4.23 -1.22 -4.89 115.64 106.74 3ipv s THR 190 Ca 0.00 -0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 59.99 3ipv s THR 190 Cb 0.00 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.25 3ipv s THR 190 CO 0.00 -0.55 0.75 -0.94 -0.54 0.00 0.00 174.62 173.34 3ipv s SER 191 N -4.16 -0.64 0.02 3.99 1.04 -1.26 -1.73 113.70 110.96 3ipv s SER 191 Ca 0.47 0.92 -0.02 0.00 0.48 0.00 0.00 55.95 57.80 3ipv s SER 191 Cb -0.10 0.82 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 3ipv s SER 191 CO 0.40 -0.44 0.01 -0.36 0.98 0.00 0.00 173.24 173.83 3ipv s PHE 192 N -0.61 0.21 -0.08 5.02 0.08 0.40 -4.98 117.98 118.02 3ipv s PHE 192 Ca -0.06 -0.45 -0.18 0.00 0.12 0.00 0.00 56.93 56.37 3ipv s PHE 192 Cb -0.02 -0.16 0.04 0.00 -0.57 0.00 0.00 43.02 42.31 3ipv s PHE 192 CO 0.05 -0.22 0.42 -1.50 -0.10 0.00 0.00 175.22 173.88 3ipv s ILE 193 N -1.49 0.03 -0.00 0.64 2.07 -1.26 -1.52 121.20 119.66 3ipv s ILE 193 Ca -0.15 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 3ipv s ILE 193 Cb -0.09 -0.69 -0.00 0.00 0.13 0.00 0.00 42.46 41.81 3ipv s ILE 193 CO -0.01 -0.12 -0.02 -0.22 -1.91 0.00 0.00 174.94 172.66 3ipv s LEU 194 N -0.74 2.01 0.01 8.50 2.96 0.13 -4.93 118.68 126.62 3ipv s LEU 194 Ca -0.08 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3ipv s LEU 194 Cb -0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 3ipv s LEU 194 CO 0.04 0.01 -0.07 0.00 -1.32 0.00 0.00 176.35 175.00 3ipv s ALA 195 N -0.11 0.60 -0.22 5.97 0.00 -1.26 -1.00 121.76 125.74 3ipv s ALA 195 Ca -0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 3ipv s ALA 195 Cb -0.01 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.12 3ipv s ALA 195 CO -0.00 0.10 0.91 0.34 0.00 0.00 0.00 175.76 177.11 3ipv s ASP 196 N -0.57 -0.52 0.20 0.00 2.15 -0.57 -5.00 116.67 112.35 3ipv s ASP 196 Ca -0.00 0.85 -0.31 0.00 0.43 0.00 0.00 52.55 53.52 3ipv s ASP 196 Cb -0.05 0.81 -0.09 0.00 -0.30 0.00 0.00 42.92 43.29 3ipv s ASP 196 CO 0.00 -0.28 1.44 -0.63 -0.17 0.00 0.00 175.17 175.53 3ipv s ILE 197 N -0.26 2.87 -0.08 4.11 1.09 -1.26 -0.61 121.20 127.06 3ipv s ILE 197 Ca -0.01 0.68 -0.04 0.00 -1.10 0.00 0.00 60.65 60.19 3ipv s ILE 197 Cb -0.03 -3.44 0.04 0.00 -1.06 0.00 0.00 42.46 37.97 3ipv s ILE 197 CO -0.01 0.08 0.17 -0.69 -0.10 0.00 0.00 174.94 174.40 3ipv s VAL 198 N 0.49 -0.05 -0.87 2.92 1.01 -0.48 -4.93 120.40 118.48 3ipv s VAL 198 Ca 0.62 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 3ipv s VAL 198 Cb -0.40 -0.28 0.20 0.00 0.00 0.00 0.00 36.38 35.89 3ipv s VAL 198 CO 0.37 0.07 0.89 -0.62 0.00 0.00 0.00 175.10 175.81 3ipv s ASP 199 N 1.22 6.76 0.35 3.32 2.15 -1.26 -4.75 116.67 124.46 3ipv s ASP 199 Ca -0.09 -2.57 0.13 0.00 0.43 0.00 0.00 52.55 50.45 3ipv s ASP 199 Cb -0.11 -2.26 0.95 0.00 -0.30 0.00 0.00 42.92 41.19 3ipv s ASP 199 CO -0.07 -0.69 1.77 -0.07 -0.17 0.00 0.00 175.17 175.94 3ipv h LEU 200 N 8.44 0.60 -1.88 -1.34 3.38 -1.97 -2.63 115.31 119.91 3ipv h LEU 200 Ca 0.13 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3ipv h LEU 200 Cb 1.03 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ipv h LEU 200 CO 0.86 0.15 -0.13 -1.28 0.09 0.00 0.00 178.44 178.13 3ipv h SER 201 N 0.55 0.00 0.24 -0.43 0.87 -1.91 0.18 113.55 113.05 3ipv h SER 201 Ca 0.59 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 3ipv h SER 201 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3ipv h SER 201 CO -0.35 0.13 -0.75 -1.54 -0.53 0.00 0.00 176.83 173.79 3ipv n SER 202 N -3.78 0.77 0.00 6.23 3.41 -1.00 -4.52 113.62 114.74 3ipv n SER 202 Ca -0.02 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 3ipv n SER 202 Cb 0.24 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3ipv n SER 202 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ipv n VAL 203 N -1.48 0.00 -4.39 -3.33 0.24 -0.18 -5.03 118.33 104.15 3ipv n VAL 203 Ca 0.05 -0.38 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 3ipv n VAL 203 Cb 0.33 0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 33.51 3ipv n VAL 203 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ipv s LEU 204 N -1.91 2.53 0.90 1.34 1.43 0.45 -3.85 118.68 119.57 3ipv s LEU 204 Ca 0.00 -0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 3ipv s LEU 204 Cb 0.00 -0.91 0.14 0.00 0.03 0.00 0.00 46.19 45.46 3ipv s LEU 204 CO 0.00 -0.04 1.21 -2.16 0.23 0.00 0.00 176.35 175.59 3ipv s PRO 205 N -3.30 1.16 0.44 1.29 0.05 -1.26 -4.76 135.00 128.63 3ipv s PRO 205 Ca 0.23 -0.01 0.12 0.00 0.05 0.00 0.00 61.00 61.39 3ipv s PRO 205 Cb -0.04 -1.87 0.98 0.00 0.05 0.00 0.00 34.50 33.62 3ipv s PRO 205 CO 0.10 -2.12 2.03 0.93 0.05 0.00 0.00 177.00 177.99 3ipv h GLU 206 N -1.44 0.20 -5.23 4.56 5.08 -1.95 -3.41 114.58 112.39 3ipv h GLU 206 Ca -0.47 -0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.19 3ipv h GLU 206 Cb 1.30 -0.04 -0.33 0.00 0.50 0.00 0.00 28.75 30.18 3ipv h GLU 206 CO 0.55 0.23 -0.87 -1.58 -1.00 0.00 0.00 179.01 176.34 3ipv s TRP 207 N -4.99 2.65 0.18 4.33 0.52 -1.26 -0.70 118.94 119.67 3ipv s TRP 207 Ca -0.06 -1.25 0.08 0.00 0.02 0.00 0.00 56.10 54.89 3ipv s TRP 207 Cb 0.16 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 3ipv s TRP 207 CO 0.71 -0.55 -0.15 0.14 0.02 0.00 0.00 176.95 177.11 3ipv s VAL 208 N 0.70 1.71 -0.02 4.03 -7.23 -0.20 -3.82 120.40 115.56 3ipv s VAL 208 Ca -0.10 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.05 3ipv s VAL 208 Cb -0.16 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3ipv s VAL 208 CO 0.01 -0.49 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.03 3ipv s ARG 209 N -3.28 2.41 0.14 4.82 0.52 -0.73 -0.22 118.95 122.61 3ipv s ARG 209 Ca 0.19 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.73 3ipv s ARG 209 Cb -0.03 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 3ipv s ARG 209 CO 0.06 0.60 -0.17 0.14 0.02 0.00 0.00 175.30 175.95 3ipv s VAL 210 N -0.81 2.83 -2.20 3.52 -7.23 -1.26 -2.14 120.40 113.12 3ipv s VAL 210 Ca 0.13 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 3ipv s VAL 210 Cb -0.11 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3ipv s VAL 210 CO 0.02 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3ipv n GLY 211 N 0.57 -0.64 3.40 2.32 0.00 -0.46 -2.16 105.19 108.22 3ipv n GLY 211 Ca -0.14 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 3ipv n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ipv s PHE 212 N -3.76 2.25 -0.00 1.61 0.08 0.10 -0.57 117.98 117.68 3ipv s PHE 212 Ca 0.00 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 3ipv s PHE 212 Cb 0.00 -1.14 -0.00 0.00 -0.57 0.00 0.00 43.02 41.30 3ipv s PHE 212 CO 0.00 0.44 0.03 0.45 -0.10 0.00 0.00 175.22 176.04 3ipv s SER 213 N -2.49 0.07 -0.01 1.36 0.15 -0.36 -1.68 113.70 110.75 3ipv s SER 213 Ca 0.18 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 3ipv s SER 213 Cb -0.08 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 3ipv s SER 213 CO 0.08 -0.17 0.45 0.00 1.20 0.00 0.00 173.24 174.80 3ipv s ALA 214 N -0.72 -1.15 -0.00 5.45 0.00 -0.36 -0.55 121.76 124.42 3ipv s ALA 214 Ca -0.08 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3ipv s ALA 214 Cb -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 3ipv s ALA 214 CO -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 175.76 175.42 3ipv s ALA 215 N -1.65 -0.03 0.34 0.00 0.00 -0.53 -2.01 121.76 117.88 3ipv s ALA 215 Ca -0.10 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.80 3ipv s ALA 215 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3ipv s ALA 215 CO 0.04 -0.07 0.44 0.95 0.00 0.00 0.00 175.76 177.11 3ipv s THR 216 N -0.52 3.92 0.35 0.00 -4.23 0.08 -0.96 115.64 114.27 3ipv s THR 216 Ca -0.06 -1.07 -0.29 0.00 -1.18 0.00 0.00 61.69 59.09 3ipv s THR 216 Cb -0.04 -3.35 -0.11 0.00 1.34 0.00 0.00 72.50 70.34 3ipv s THR 216 CO -0.00 -0.15 1.50 -0.83 -0.54 0.00 0.00 174.62 174.59 3ipv s GLY 217 N -4.14 2.71 0.00 3.99 0.00 -0.48 -3.91 107.32 105.49 3ipv s GLY 217 Ca 0.45 1.54 0.10 0.00 0.00 0.00 0.00 44.72 46.81 3ipv s GLY 217 CO 0.30 2.31 1.25 0.00 0.00 0.00 0.00 173.10 176.97 3ipv n ALA 218 N 0.99 1.59 -2.81 3.20 0.00 -1.26 -1.92 120.51 120.31 3ipv n ALA 218 Ca 0.03 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 3ipv n ALA 218 Cb 0.39 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 3ipv n ALA 218 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ipv s SER 219 N -2.70 5.38 0.13 0.00 0.01 -1.26 -4.80 113.70 110.46 3ipv s SER 219 Ca 0.08 0.09 -0.35 0.00 1.31 0.00 0.00 55.95 57.08 3ipv s SER 219 Cb 0.07 -1.78 -0.17 0.00 0.21 0.00 0.00 66.02 64.36 3ipv s SER 219 CO 0.17 0.26 1.18 0.61 0.41 0.00 0.00 173.24 175.87 3ipv n GLY 220 N 2.96 0.08 0.62 3.44 0.00 -1.26 -0.82 105.19 110.20 3ipv n GLY 220 Ca -0.18 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3ipv n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipv n GLY 221 N 2.13 3.42 3.34 -0.02 0.00 -1.26 -4.98 105.19 107.81 3ipv n GLY 221 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3ipv n GLY 221 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ipv n LYS 222 N -1.98 3.56 -4.22 1.61 4.76 -0.00 -4.70 118.16 117.18 3ipv n LYS 222 Ca 0.00 -4.27 -0.19 0.00 -2.87 0.00 0.00 58.31 50.98 3ipv n LYS 222 Cb 0.00 -2.70 -0.12 0.00 -1.84 0.00 0.00 35.03 30.38 3ipv n LYS 222 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3ipv s ILE 223 N -0.54 1.31 0.07 -0.18 -4.36 -1.21 -1.38 121.20 114.90 3ipv s ILE 223 Ca 0.35 -1.56 -0.27 0.00 -0.26 0.00 0.00 60.65 58.90 3ipv s ILE 223 Cb -0.06 -1.39 0.09 0.00 1.25 0.00 0.00 42.46 42.35 3ipv s ILE 223 CO -0.04 -0.31 1.03 -1.83 0.24 0.00 0.00 174.94 174.03 3ipv s GLU 224 N -2.27 0.90 0.31 0.37 -1.05 -1.26 -4.48 118.70 111.23 3ipv s GLU 224 Ca 0.05 -0.46 0.05 0.00 -0.15 0.00 0.00 54.97 54.45 3ipv s GLU 224 Cb -0.07 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 3ipv s GLU 224 CO 0.03 -0.41 0.46 0.95 0.95 0.00 0.00 175.26 177.24 3ipv s THR 225 N -3.02 4.62 -0.41 1.83 -4.23 0.10 -4.73 115.64 109.80 3ipv s THR 225 Ca 0.11 -0.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 3ipv s THR 225 Cb -0.00 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.37 3ipv s THR 225 CO -0.02 -0.28 0.34 -1.00 -0.54 0.00 0.00 174.62 173.12 3ipv s HIS 226 N -2.16 0.97 -0.25 3.99 0.09 -1.26 -3.76 115.29 112.91 3ipv s HIS 226 Ca 0.41 -2.21 -0.08 0.00 -0.00 0.00 0.00 55.06 53.18 3ipv s HIS 226 Cb -0.09 -0.87 -0.03 0.00 -0.00 0.00 0.00 32.58 31.58 3ipv s HIS 226 CO 0.32 -0.84 0.08 -0.51 -0.00 0.00 0.00 174.74 173.78 3ipv s ASP 227 N 0.17 5.24 -0.20 1.40 1.01 -0.70 -1.57 116.67 122.03 3ipv s ASP 227 Ca 0.32 -0.17 -0.07 0.00 0.71 0.00 0.00 52.55 53.34 3ipv s ASP 227 Cb 0.02 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 3ipv s ASP 227 CO -0.18 -0.02 0.05 -0.69 0.21 0.00 0.00 175.17 174.54 3ipv s VAL 228 N 1.53 4.52 -0.10 -1.27 1.01 0.15 -0.89 120.40 125.35 3ipv s VAL 228 Ca 0.06 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.01 3ipv s VAL 228 Cb -0.15 -3.05 -0.24 0.00 0.00 0.00 0.00 36.38 32.94 3ipv s VAL 228 CO 0.04 0.43 0.43 0.49 0.00 0.00 0.00 175.10 176.49 3ipv n PHE 229 N 3.94 0.80 -3.60 5.22 3.72 0.71 -1.11 117.46 127.14 3ipv n PHE 229 Ca -0.16 0.25 -0.09 0.00 -0.05 0.00 0.00 57.45 57.40 3ipv n PHE 229 Cb 0.52 -1.13 -0.02 0.00 -0.94 0.00 0.00 39.48 37.91 3ipv n PHE 229 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ipv s SER 230 N -6.21 -0.39 -0.29 4.37 1.04 -1.20 -4.26 113.70 106.78 3ipv s SER 230 Ca -0.11 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 3ipv s SER 230 Cb 0.07 0.57 0.11 0.00 0.10 0.00 0.00 66.02 66.88 3ipv s SER 230 CO 0.80 -0.98 0.74 0.86 0.98 0.00 0.00 173.24 175.64 3ipv s TRP 231 N -3.59 -1.05 0.19 5.02 -0.00 -0.65 -1.92 118.94 116.94 3ipv s TRP 231 Ca 0.06 1.98 0.09 0.00 -0.00 0.00 0.00 56.10 58.23 3ipv s TRP 231 Cb -0.02 0.63 -0.04 0.00 -0.00 0.00 0.00 33.47 34.03 3ipv s TRP 231 CO -0.05 -0.52 -0.17 -1.54 -0.00 0.00 0.00 176.95 174.67 3ipv s SER 232 N 2.03 2.79 -0.06 5.86 1.04 0.46 -0.34 113.70 125.49 3ipv s SER 232 Ca -0.08 -0.94 -0.14 0.00 0.48 0.00 0.00 55.95 55.28 3ipv s SER 232 Cb -0.07 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.90 3ipv s SER 232 CO -0.19 -0.06 0.32 0.12 0.98 0.00 0.00 173.24 174.41 3ipv s PHE 233 N -2.39 -0.26 -0.19 5.02 5.36 -0.36 -0.55 117.98 124.62 3ipv s PHE 233 Ca 0.20 0.52 -0.14 0.00 -0.96 0.00 0.00 56.93 56.55 3ipv s PHE 233 Cb -0.04 0.11 0.05 0.00 -0.34 0.00 0.00 43.02 42.80 3ipv s PHE 233 CO 0.08 -0.31 0.48 0.00 -1.46 0.00 0.00 175.22 174.00 3ipv s ALA 234 N -0.75 -1.21 0.06 11.12 0.00 -0.62 -1.49 121.76 128.87 3ipv s ALA 234 Ca -0.08 1.53 0.05 0.00 0.00 0.00 0.00 51.96 53.45 3ipv s ALA 234 Cb -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3ipv s ALA 234 CO 0.03 -0.26 -0.13 -1.12 0.00 0.00 0.00 175.76 174.28 3ipv s SER 235 N 0.80 1.59 -0.25 0.00 0.01 -0.15 -1.00 113.70 114.70 3ipv s SER 235 Ca -0.04 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 3ipv s SER 235 Cb -0.05 -0.06 0.13 0.00 0.21 0.00 0.00 66.02 66.25 3ipv s SER 235 CO -0.06 -0.06 0.37 -0.75 0.41 0.00 0.00 173.24 173.15 3ipv s LYS 236 N -1.55 0.34 -0.39 12.44 2.47 0.24 -2.95 119.74 130.35 3ipv s LYS 236 Ca -0.02 0.40 -0.03 0.00 -1.56 0.00 0.00 55.97 54.77 3ipv s LYS 236 Cb -0.09 -0.52 0.10 0.00 -1.46 0.00 0.00 37.83 35.85 3ipv s LYS 236 CO 0.02 -0.73 0.17 -1.17 0.16 0.00 0.00 175.35 173.80 3ipv s LEU 237 N 2.52 5.01 0.20 5.43 2.96 0.15 -1.49 118.68 133.46 3ipv s LEU 237 Ca 0.12 -1.85 -0.28 0.00 -0.22 0.00 0.00 54.13 51.89 3ipv s LEU 237 Cb -0.15 -1.82 -0.08 0.00 0.50 0.00 0.00 46.19 44.64 3ipv s LEU 237 CO -0.19 -0.49 0.88 0.00 -1.32 0.00 0.00 176.35 175.23 3ipv s ALA 238 N 1.18 3.37 -2.00 5.97 0.00 -1.26 -0.77 121.76 128.25 3ipv s ALA 238 Ca 0.06 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.61 3ipv s ALA 238 Cb -0.22 -3.12 0.44 0.00 0.00 0.00 0.00 23.12 20.21 3ipv s ALA 238 CO -0.03 0.22 1.05 0.41 0.00 0.00 0.00 175.76 177.41 3ipv n GLY 239 N 1.59 -0.72 3.79 0.00 0.00 -1.26 -4.85 105.19 103.73 3ipv n GLY 239 Ca -0.03 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 3ipv n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ipv s THR 242 N -2.00 2.55 -0.43 2.61 -4.23 -1.26 -5.03 115.64 107.84 3ipv s THR 242 Ca 0.11 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 3ipv s THR 242 Cb 0.05 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.93 3ipv s THR 242 CO 0.08 -0.03 0.38 -0.75 -0.54 0.00 0.00 174.62 173.76 3ipv s LYS 243 N -3.98 3.01 -0.02 3.99 2.20 -1.26 -4.97 119.74 118.71 3ipv s LYS 243 Ca 0.43 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 54.93 3ipv s LYS 243 Cb 0.00 -4.02 -0.30 0.00 -1.51 0.00 0.00 37.83 32.00 3ipv s LYS 243 CO 0.25 -0.87 0.77 0.22 -0.36 0.00 0.00 175.35 175.36 3ipv h ASP 244 N 8.71 0.55 -0.47 1.43 3.58 -2.03 0.56 116.42 128.74 3ipv h ASP 244 Ca -0.27 -0.77 -0.03 0.00 0.42 0.00 0.00 57.03 56.38 3ipv h ASP 244 Cb 1.11 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 3ipv h ASP 244 CO 0.80 1.65 0.19 0.77 -2.88 0.00 0.00 179.24 179.76 3ipv h SER 245 N 0.10 0.65 0.54 2.28 4.64 -2.02 -0.82 113.55 118.92 3ipv h SER 245 Ca -0.30 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 3ipv h SER 245 Cb 2.07 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.99 3ipv h SER 245 CO 0.18 0.64 -0.12 -1.28 -0.87 0.00 0.00 176.83 175.38 3ipv h SER 246 N 0.62 0.00 0.01 4.97 0.87 -1.99 -3.18 113.55 114.85 3ipv h SER 246 Ca 0.16 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3ipv h SER 246 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3ipv h SER 246 CO -0.01 0.12 -0.00 0.15 -0.53 0.00 0.00 176.83 176.55 3ipv h PHE 247 N 0.00 -0.01 -0.92 2.24 3.57 0.60 0.62 116.94 123.05 3ipv h PHE 247 Ca -0.00 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.76 3ipv h PHE 247 Cb 0.42 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.01 3ipv h PHE 247 CO 0.00 -0.01 0.25 1.37 -2.23 0.00 0.00 178.31 177.69 3ipv h LEU 248 N -0.02 -0.02 -0.47 0.59 8.10 -1.64 0.31 115.31 122.16 3ipv h LEU 248 Ca -0.00 0.22 0.01 0.00 0.11 0.00 0.00 57.88 58.22 3ipv h LEU 248 Cb 0.01 0.30 -0.03 0.00 -0.44 0.00 0.00 40.66 40.50 3ipv h LEU 248 CO 0.00 -0.22 0.30 -0.78 -4.11 0.00 0.00 178.44 173.63 3ipv h ASP 249 N 0.16 0.51 0.83 0.17 3.58 -1.67 -2.84 116.42 117.16 3ipv h ASP 249 Ca 0.60 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 58.01 3ipv h ASP 249 Cb 1.28 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 3ipv h ASP 249 CO -0.71 0.37 -0.17 1.23 -2.88 0.00 0.00 179.24 177.07 3ipv h GLY 250 N 0.61 0.00 0.00 -0.78 0.00 0.11 -3.51 103.07 99.49 3ipv h GLY 250 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3ipv h GLY 250 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.10