#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 4.05 0.03 0.00 0.41 0.25 -4.94 118.70 118.50 3ipv s GLU 2 Ca 0.00 0.13 0.04 0.00 -0.41 0.00 0.00 54.97 54.74 3ipv s GLU 2 Cb 0.00 -3.64 -0.02 0.00 -1.78 0.00 0.00 34.13 28.69 3ipv s GLU 2 CO 0.00 -0.27 -0.13 -1.21 -0.49 0.00 0.00 175.26 173.16 3ipv s GLU 3 N 2.04 0.92 -0.04 1.61 2.02 -1.26 -1.20 118.70 122.79 3ipv s GLU 3 Ca 0.17 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3ipv s GLU 3 Cb -0.16 -0.91 0.02 0.00 0.10 0.00 0.00 34.13 33.18 3ipv s GLU 3 CO 0.09 0.23 -0.04 0.99 0.02 0.00 0.00 175.26 176.56 3ipv s THR 4 N -0.74 0.47 0.04 3.63 2.01 -1.20 -5.01 115.64 114.85 3ipv s THR 4 Ca 0.02 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 3ipv s THR 4 Cb -0.07 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 3ipv s THR 4 CO 0.01 0.21 0.10 -0.94 -0.69 0.00 0.00 174.62 173.31 3ipv s SER 5 N 0.98 0.19 0.08 3.53 1.04 -1.26 -0.94 113.70 117.32 3ipv s SER 5 Ca -0.10 -0.58 -0.24 0.00 0.48 0.00 0.00 55.95 55.50 3ipv s SER 5 Cb -0.14 0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.28 3ipv s SER 5 CO -0.00 -0.54 0.59 0.72 0.98 0.00 0.00 173.24 174.98 3ipv s PHE 6 N -2.87 -0.52 -0.05 5.02 -0.71 -0.17 -4.98 117.98 113.70 3ipv s PHE 6 Ca -0.03 0.52 0.01 0.00 -1.04 0.00 0.00 56.93 56.39 3ipv s PHE 6 Cb 0.00 0.46 0.02 0.00 -1.21 0.00 0.00 43.02 42.29 3ipv s PHE 6 CO -0.06 -0.74 -0.05 0.08 -1.34 0.00 0.00 175.22 173.12 3ipv s VAL 7 N -2.86 0.58 -0.42 -2.49 1.01 -1.26 -0.78 120.40 114.18 3ipv s VAL 7 Ca -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3ipv s VAL 7 Cb -0.01 -0.61 0.11 0.00 0.00 0.00 0.00 36.38 35.88 3ipv s VAL 7 CO -0.05 0.24 0.19 -0.36 0.00 0.00 0.00 175.10 175.12 3ipv s PHE 8 N 1.02 3.59 -0.38 5.22 0.08 0.12 -4.91 117.98 122.72 3ipv s PHE 8 Ca -0.09 -2.70 0.26 0.00 0.12 0.00 0.00 56.93 54.52 3ipv s PHE 8 Cb -0.14 -3.10 0.78 0.00 -0.57 0.00 0.00 43.02 39.99 3ipv s PHE 8 CO -0.00 -0.93 1.75 1.03 -0.10 0.00 0.00 175.22 176.97 3ipv h SER 9 N 7.67 0.00 -5.21 1.36 0.87 -1.89 0.57 113.55 116.92 3ipv h SER 9 Ca -0.08 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.35 3ipv h SER 9 Cb 1.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 3ipv h SER 9 CO 0.64 0.00 0.10 -1.59 -0.53 0.00 0.00 176.83 175.45 3ipv s LYS 10 N -3.31 2.15 0.29 2.24 0.00 -1.26 -4.55 119.74 115.30 3ipv s LYS 10 Ca 0.06 -1.60 0.08 0.00 0.00 0.00 0.00 55.97 54.52 3ipv s LYS 10 Cb 0.08 0.56 -0.04 0.00 0.00 0.00 0.00 37.83 38.43 3ipv s LYS 10 CO 0.59 -0.97 0.11 -0.06 0.00 0.00 0.00 175.35 175.01 3ipv s PHE 11 N -2.48 2.81 0.05 1.78 0.08 -0.73 -4.99 117.98 114.49 3ipv s PHE 11 Ca 0.21 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 57.07 3ipv s PHE 11 Cb -0.03 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 3ipv s PHE 11 CO 0.15 0.48 -0.16 0.15 -0.10 0.00 0.00 175.22 175.75 3ipv s LYS 12 N -3.79 1.03 0.25 0.44 1.02 -1.26 -4.11 119.74 113.33 3ipv s LYS 12 Ca 0.34 -0.84 -0.08 0.00 0.02 0.00 0.00 55.97 55.41 3ipv s LYS 12 Cb -0.06 -1.08 0.41 0.00 -0.52 0.00 0.00 37.83 36.58 3ipv s LYS 12 CO 0.22 0.27 1.61 -1.35 -0.92 0.00 0.00 175.35 175.18 3ipv h PRO 13 N 4.80 0.05 -4.80 -1.68 0.11 -1.81 -3.20 132.00 125.46 3ipv h PRO 13 Ca -0.40 -0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.01 3ipv h PRO 13 Cb 1.18 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 3ipv h PRO 13 CO 0.43 0.03 -0.02 -1.17 -0.21 0.00 0.00 178.00 177.06 3ipv s LEU 14 N -10.91 5.15 -0.49 2.35 2.96 -1.26 -4.90 118.68 111.57 3ipv s LEU 14 Ca -0.14 -1.06 0.04 0.00 -0.22 0.00 0.00 54.13 52.76 3ipv s LEU 14 Cb 0.23 -2.38 0.17 0.00 0.50 0.00 0.00 46.19 44.71 3ipv s LEU 14 CO 0.76 -0.87 0.38 -0.70 -1.32 0.00 0.00 176.35 174.60 3ipv s GLU 15 N 2.44 1.33 0.00 1.98 2.56 -1.21 -5.00 118.70 120.80 3ipv s GLU 15 Ca 0.12 -2.45 0.23 0.00 0.00 0.00 0.00 54.97 52.87 3ipv s GLU 15 Cb -0.21 -1.96 1.18 0.00 2.00 0.00 0.00 34.13 35.14 3ipv s GLU 15 CO 0.10 -1.36 1.74 -0.35 -0.56 0.00 0.00 175.26 174.83 3ipv n PRO 16 N 2.60 0.39 -0.19 4.30 -0.04 -1.26 -2.20 135.00 138.59 3ipv n PRO 16 Ca 0.27 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 3ipv n PRO 16 Cb 0.44 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.24 2.59 -4.13 3.54 6.94 -1.26 -4.74 115.26 116.95 3ipv n ASN 17 Ca 0.12 -1.92 -0.33 0.00 -0.02 0.00 0.00 54.58 52.43 3ipv n ASN 17 Cb 0.16 -0.25 -0.16 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.26 2.15 -0.38 -4.53 2.96 -0.94 -1.01 118.68 115.67 3ipv s LEU 18 Ca 0.34 -0.63 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 3ipv s LEU 18 Cb 0.19 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.41 3ipv s LEU 18 CO 0.26 0.01 0.75 -0.63 -1.32 0.00 0.00 176.35 175.42 3ipv s ILE 19 N 1.21 4.75 -0.10 6.68 1.01 0.59 -4.91 121.20 130.43 3ipv s ILE 19 Ca 0.03 0.69 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 3ipv s ILE 19 Cb -0.13 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 3ipv s ILE 19 CO -0.11 -0.47 0.45 -0.76 0.00 0.00 0.00 174.94 174.05 3ipv s LEU 20 N 3.05 4.32 0.10 2.97 1.43 -1.26 -1.29 118.68 127.98 3ipv s LEU 20 Ca 0.29 0.83 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 3ipv s LEU 20 Cb -0.13 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3ipv s LEU 20 CO 0.18 0.07 -0.21 -1.10 0.23 0.00 0.00 176.35 175.52 3ipv s GLN 21 N 0.27 1.18 6.16 1.70 -0.21 0.04 -4.97 119.66 123.83 3ipv s GLN 21 Ca 0.25 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.49 3ipv s GLN 21 Cb -0.15 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.41 3ipv s GLN 21 CO 0.11 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 3ipv n GLY 22 N 1.19 2.13 0.29 3.09 0.00 -1.26 -1.61 105.19 109.02 3ipv n GLY 22 Ca -0.19 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 3.86 0.91 -4.73 1.61 8.00 -0.16 -4.95 116.55 121.09 3ipv n ASP 23 Ca 0.00 -1.28 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 3ipv n ASP 23 Cb 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.02 3.70 0.04 2.24 0.00 -1.14 -4.65 121.76 119.94 3ipv s ALA 24 Ca 0.41 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.60 3ipv s ALA 24 Cb 0.21 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3ipv s ALA 24 CO 0.35 -0.77 0.29 -0.48 0.00 0.00 0.00 175.76 175.15 3ipv s LEU 25 N 0.33 0.96 -0.16 0.00 0.05 -0.65 -4.71 118.68 114.50 3ipv s LEU 25 Ca 0.65 -0.18 -0.06 0.00 0.05 0.00 0.00 54.13 54.59 3ipv s LEU 25 Cb -0.43 1.28 -0.04 0.00 -2.05 0.00 0.00 46.19 44.95 3ipv s LEU 25 CO 0.38 -0.58 0.04 -0.69 -0.55 0.00 0.00 176.35 174.94 3ipv s VAL 26 N -2.39 4.57 0.75 1.48 1.01 -1.26 -0.56 120.40 124.01 3ipv s VAL 26 Ca -0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3ipv s VAL 26 Cb -0.01 -3.02 0.09 0.00 0.00 0.00 0.00 36.38 33.43 3ipv s VAL 26 CO -0.02 0.50 1.08 0.42 0.00 0.00 0.00 175.10 177.07 3ipv s THR 27 N 0.07 2.19 0.46 3.92 -4.23 0.19 -4.59 115.64 113.65 3ipv s THR 27 Ca 0.04 -0.23 0.11 0.00 -1.18 0.00 0.00 61.69 60.43 3ipv s THR 27 Cb -0.12 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.02 3ipv s THR 27 CO 0.01 0.00 2.10 -0.37 -0.54 0.00 0.00 174.62 175.82 3ipv h VAL 28 N -0.80 1.06 0.00 2.29 -1.51 -1.97 -1.38 116.25 113.95 3ipv h VAL 28 Ca -0.44 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3ipv h VAL 28 Cb 1.30 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3ipv h VAL 28 CO 0.56 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.96 3ipv n ALA 29 N -2.50 2.50 -0.65 5.19 0.00 -1.26 -4.89 120.51 118.90 3ipv n ALA 29 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ipv n ALA 29 Cb 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.52 0.63 3.79 0.00 0.00 -0.52 -4.94 105.19 104.67 3ipv n GLY 30 Ca 0.01 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 5.37 -0.53 1.61 1.01 -1.26 -1.78 120.40 122.81 3ipv s VAL 31 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 3ipv s VAL 31 Cb 0.00 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.94 3ipv s VAL 31 CO 0.00 0.50 0.61 -0.22 0.00 0.00 0.00 175.10 175.99 3ipv s LEU 32 N -0.22 5.29 -0.67 3.92 2.96 -0.64 -0.64 118.68 128.68 3ipv s LEU 32 Ca 0.14 -1.22 -0.18 0.00 -0.22 0.00 0.00 54.13 52.66 3ipv s LEU 32 Cb -0.13 -2.34 0.12 0.00 0.50 0.00 0.00 46.19 44.35 3ipv s LEU 32 CO 0.03 -0.93 0.77 -1.10 -1.32 0.00 0.00 176.35 173.80 3ipv s GLN 33 N 2.44 3.20 0.23 1.98 -0.21 0.28 0.23 119.66 127.81 3ipv s GLN 33 Ca 0.11 -1.54 -0.06 0.00 0.02 0.00 0.00 55.36 53.89 3ipv s GLN 33 Cb -0.22 -4.38 0.34 0.00 1.00 0.00 0.00 33.01 29.74 3ipv s GLN 33 CO 0.09 -1.54 1.81 -0.07 -2.12 0.00 0.00 175.29 173.45 3ipv h LEU 34 N 9.74 0.64 -9.26 2.90 3.38 -1.70 -1.72 115.31 119.29 3ipv h LEU 34 Ca -0.18 0.04 -0.61 0.00 0.09 0.00 0.00 57.88 57.22 3ipv h LEU 34 Cb 1.07 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.60 3ipv h LEU 34 CO 1.06 0.39 -0.75 0.42 0.09 0.00 0.00 178.44 179.64 3ipv s THR 35 N -6.06 2.75 0.23 0.22 -4.23 -1.26 -3.20 115.64 104.09 3ipv s THR 35 Ca -0.13 -2.12 -0.32 0.00 -1.18 0.00 0.00 61.69 57.95 3ipv s THR 35 Cb 0.18 -2.41 -0.13 0.00 1.34 0.00 0.00 72.50 71.48 3ipv s THR 35 CO 0.77 -0.29 1.52 0.59 -0.54 0.00 0.00 174.62 176.67 3ipv n ASN 36 N -0.39 3.18 -3.80 3.99 5.03 -1.26 -4.72 115.26 117.29 3ipv n ASN 36 Ca -0.08 1.12 -0.16 0.00 0.87 0.00 0.00 54.58 56.33 3ipv n ASN 36 Cb 0.58 -1.47 -0.16 0.00 -1.02 0.00 0.00 39.78 37.71 3ipv n ASN 36 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3ipv s VAL 37 N 0.31 0.06 0.39 2.41 1.01 -1.26 -1.28 120.40 122.04 3ipv s VAL 37 Ca 0.71 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 3ipv s VAL 37 Cb -0.61 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 35.68 3ipv s VAL 37 CO 0.45 0.12 0.46 -0.90 0.00 0.00 0.00 175.10 175.22 3ipv n ASP 38 N 4.14 -0.44 0.26 3.32 5.68 -0.01 -4.87 116.55 124.64 3ipv n ASP 38 Ca -0.27 -1.03 0.11 0.00 -0.50 0.00 0.00 54.79 53.09 3ipv n ASP 38 Cb 0.50 -0.37 0.69 0.00 -1.14 0.00 0.00 41.12 40.80 3ipv n ASP 38 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 3ipv h SER 39 N -0.97 0.00 -0.11 -1.12 0.87 -2.02 -2.09 113.55 108.11 3ipv h SER 39 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3ipv h SER 39 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3ipv h SER 39 CO 0.11 0.12 0.00 0.59 -0.53 0.00 0.00 176.83 177.11 3ipv n ASN 40 N -3.89 1.52 0.00 6.23 5.03 -1.26 -4.89 115.26 117.99 3ipv n ASN 40 Ca -0.02 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.81 3ipv n ASN 40 Cb 0.21 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 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 1.13 0.69 3.63 7.41 0.00 -0.79 -5.04 105.19 112.23 3ipv n GLY 41 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.13 4.34 0.75 1.61 1.01 -1.26 -4.79 120.40 119.93 3ipv s VAL 42 Ca 0.00 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.38 3ipv s VAL 42 Cb 0.00 -4.33 0.05 0.00 0.00 0.00 0.00 36.38 32.10 3ipv s VAL 42 CO 0.00 -0.52 1.14 -2.16 0.00 0.00 0.00 175.10 173.56 3ipv s PRO 43 N 3.90 2.16 0.13 2.72 0.04 -1.26 -0.83 135.00 141.87 3ipv s PRO 43 Ca 0.50 1.49 0.10 0.00 0.04 0.00 0.00 61.00 63.12 3ipv s PRO 43 Cb -0.14 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3ipv s PRO 43 CO 0.20 -1.76 -0.22 -1.21 0.04 0.00 0.00 177.00 174.05 3ipv s GLU 44 N -4.30 1.61 0.81 4.56 0.41 -0.40 -4.85 118.70 116.54 3ipv s GLU 44 Ca 0.68 -1.28 -0.11 0.00 -0.41 0.00 0.00 54.97 53.85 3ipv s GLU 44 Cb -0.23 -2.01 0.10 0.00 -1.78 0.00 0.00 34.13 30.21 3ipv s GLU 44 CO 0.49 0.46 1.16 -1.25 -0.49 0.00 0.00 175.26 175.63 3ipv s PRO 45 N -2.17 1.77 -1.67 0.39 0.04 -1.26 -4.29 135.00 127.81 3ipv s PRO 45 Ca 0.17 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.09 3ipv s PRO 45 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3ipv s PRO 45 CO 0.09 -1.66 0.30 0.43 0.04 0.00 0.00 177.00 176.20 3ipv n SER 46 N -3.30 -6.03 -4.66 6.66 7.64 0.73 -4.95 113.62 109.70 3ipv n SER 46 Ca 0.09 -0.15 -0.27 0.00 1.01 0.00 0.00 58.87 59.55 3ipv n SER 46 Cb 0.61 -4.94 -0.08 0.00 -1.01 0.00 0.00 64.21 58.79 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 -2.38 4.78 -0.26 6.43 0.15 -1.26 -4.99 113.70 116.17 3ipv s SER 47 Ca 0.15 -0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.27 3ipv s SER 47 Cb -0.07 -1.03 0.08 0.00 -1.71 0.00 0.00 66.02 63.30 3ipv s SER 47 CO 0.18 0.10 0.65 -0.22 1.20 0.00 0.00 173.24 175.15 3ipv s LEU 48 N -2.83 -0.79 0.04 3.45 2.96 -1.26 -1.82 118.68 118.43 3ipv s LEU 48 Ca 0.27 1.41 -0.18 0.00 -0.22 0.00 0.00 54.13 55.41 3ipv s LEU 48 Cb -0.10 2.22 0.03 0.00 0.50 0.00 0.00 46.19 48.85 3ipv s LEU 48 CO 0.18 -0.23 0.40 -0.83 -1.32 0.00 0.00 176.35 174.55 3ipv s GLY 49 N 1.51 -0.25 0.05 7.98 0.00 -0.65 -0.99 107.32 114.97 3ipv s GLY 49 Ca -0.09 0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.85 3ipv s GLY 49 CO -0.17 0.05 0.17 0.50 0.00 0.00 0.00 173.10 173.65 3ipv s ARG 50 N -2.35 0.72 -0.06 2.90 0.52 -0.63 -0.66 118.95 119.39 3ipv s ARG 50 Ca -0.06 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.37 3ipv s ARG 50 Cb -0.01 0.29 0.04 0.00 0.52 0.00 0.00 34.95 35.79 3ipv s ARG 50 CO -0.02 -0.21 0.11 0.00 0.02 0.00 0.00 175.30 175.21 3ipv s ALA 51 N -2.99 -0.06 0.11 2.13 0.00 -0.58 -0.78 121.76 119.60 3ipv s ALA 51 Ca -0.02 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.49 3ipv s ALA 51 Cb 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3ipv s ALA 51 CO -0.06 -0.35 -0.20 0.95 0.00 0.00 0.00 175.76 176.10 3ipv s THR 52 N 1.72 1.67 0.35 0.00 -4.23 -0.41 -0.94 115.64 113.81 3ipv s THR 52 Ca -0.02 -1.61 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 3ipv s THR 52 Cb -0.12 -1.58 -0.11 0.00 1.34 0.00 0.00 72.50 72.03 3ipv s THR 52 CO -0.05 -0.14 1.40 -0.47 -0.54 0.00 0.00 174.62 174.82 3ipv s TYR 53 N -1.40 2.83 0.26 3.99 5.04 0.00 -0.30 117.35 127.77 3ipv s TYR 53 Ca 0.08 1.29 0.11 0.00 -2.44 0.00 0.00 57.07 56.10 3ipv s TYR 53 Cb -0.09 -3.85 0.37 0.00 0.35 0.00 0.00 41.96 38.74 3ipv s TYR 53 CO 0.05 -2.42 1.61 0.66 -1.34 0.00 0.00 175.55 174.11 3ipv h SER 54 N 3.25 0.00 -3.35 4.32 4.64 -1.41 -3.42 113.55 117.58 3ipv h SER 54 Ca -0.50 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.26 3ipv h SER 54 Cb 1.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 3ipv h SER 54 CO 0.65 0.61 0.26 0.00 -0.87 0.00 0.00 176.83 177.48 3ipv s ALA 55 N -3.58 3.35 0.62 5.18 0.00 -1.26 -5.02 121.76 121.05 3ipv s ALA 55 Ca -0.01 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 3ipv s ALA 55 Cb 0.12 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 3ipv s ALA 55 CO 0.76 -0.31 1.23 -2.30 0.00 0.00 0.00 175.76 175.13 3ipv n PRO 56 N 4.28 1.15 -4.97 0.00 -0.02 -1.26 -4.84 135.00 129.33 3ipv n PRO 56 Ca 0.02 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3ipv n PRO 56 Cb 0.50 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.40 2.73 -0.53 4.25 1.09 0.83 -4.91 121.20 123.26 3ipv s ILE 57 Ca 0.80 -0.81 -0.28 0.00 -1.10 0.00 0.00 60.65 59.26 3ipv s ILE 57 Cb -0.39 -2.08 0.02 0.00 -1.06 0.00 0.00 42.46 38.94 3ipv s ILE 57 CO 0.43 0.56 1.36 0.21 -0.10 0.00 0.00 174.94 177.40 3ipv s ASN 58 N -0.12 6.24 -0.15 3.58 3.84 -1.26 -1.38 114.94 125.69 3ipv s ASN 58 Ca -0.03 0.36 0.19 0.00 0.21 0.00 0.00 52.86 53.59 3ipv s ASN 58 Cb -0.14 -2.55 -0.27 0.00 -0.55 0.00 0.00 41.25 37.75 3ipv s ASN 58 CO 0.04 -1.60 0.19 0.00 -2.79 0.00 0.00 177.10 172.94 3ipv n ILE 59 N 6.87 1.10 -3.94 -5.21 0.13 0.89 -4.72 119.36 114.47 3ipv n ILE 59 Ca 0.12 -0.78 -0.09 0.00 -1.10 0.00 0.00 62.75 60.91 3ipv n ILE 59 Cb 0.49 -0.39 -0.05 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 -2.72 0.26 -0.11 9.51 1.48 -1.16 0.70 118.94 126.90 3ipv s TRP 60 Ca -0.09 -0.62 0.01 0.00 -1.06 0.00 0.00 56.10 54.34 3ipv s TRP 60 Cb 0.08 0.20 0.02 0.00 -1.16 0.00 0.00 33.47 32.61 3ipv s TRP 60 CO 0.85 -0.94 -0.12 0.34 -4.06 0.00 0.00 176.95 173.02 3ipv s ASP 61 N -2.98 2.25 0.12 -2.66 2.15 -0.12 -4.59 116.67 110.84 3ipv s ASP 61 Ca 0.19 -0.37 -0.16 0.00 0.43 0.00 0.00 52.55 52.64 3ipv s ASP 61 Cb -0.00 -0.96 -0.02 0.00 -0.30 0.00 0.00 42.92 41.64 3ipv s ASP 61 CO 0.05 -0.04 1.62 -1.28 -0.17 0.00 0.00 175.17 175.35 3ipv h SER 62 N 7.69 0.60 -0.24 -0.34 0.87 -1.94 0.35 113.55 120.54 3ipv h SER 62 Ca -0.32 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 59.96 3ipv h SER 62 Cb 1.16 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3ipv h SER 62 CO 0.46 0.69 -0.00 0.00 -0.53 0.00 0.00 176.83 177.45 3ipv h ALA 63 N 0.93 0.32 0.00 6.23 0.00 -1.98 -3.21 119.26 121.55 3ipv h ALA 63 Ca 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ipv h ALA 63 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ipv h ALA 63 CO 0.00 0.06 -0.88 1.79 0.00 0.00 0.00 179.25 180.22 3ipv h THR 64 N 0.19 0.02 0.00 0.00 1.35 -1.97 -3.47 112.91 109.03 3ipv h THR 64 Ca 0.07 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3ipv h THR 64 Cb 0.42 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3ipv h THR 64 CO 0.01 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3ipv n GLY 65 N 1.18 0.54 3.82 5.82 0.00 0.12 -5.02 105.19 111.65 3ipv n GLY 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.85 0.05 0.99 1.43 -1.20 -4.78 118.68 119.01 3ipv s LEU 66 Ca 0.00 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.85 3ipv s LEU 66 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 3ipv s LEU 66 CO 0.00 -0.49 -0.09 -0.69 0.23 0.00 0.00 176.35 175.32 3ipv s VAL 67 N -2.26 3.48 0.53 -1.59 1.01 -1.26 -0.94 120.40 119.36 3ipv s VAL 67 Ca 0.62 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 3ipv s VAL 67 Cb -0.10 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 3ipv s VAL 67 CO 0.18 0.28 1.21 0.00 0.00 0.00 0.00 175.10 176.78 3ipv s ALA 68 N -1.08 2.78 0.10 5.51 0.00 0.22 -4.65 121.76 124.64 3ipv s ALA 68 Ca 0.19 1.02 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 3ipv s ALA 68 Cb -0.11 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 3ipv s ALA 68 CO 0.10 -0.97 0.38 -1.12 0.00 0.00 0.00 175.76 174.16 3ipv s SER 69 N -1.40 6.57 0.21 0.00 0.01 -0.22 -4.39 113.70 114.49 3ipv s SER 69 Ca 0.70 0.70 -0.07 0.00 1.31 0.00 0.00 55.95 58.59 3ipv s SER 69 Cb -0.31 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 3ipv s SER 69 CO 0.36 0.13 0.29 0.72 0.41 0.00 0.00 173.24 175.14 3ipv s PHE 70 N -1.49 0.72 -0.13 2.43 -0.12 -0.67 -0.61 117.98 118.11 3ipv s PHE 70 Ca 0.36 -1.02 -0.13 0.00 -0.05 0.00 0.00 56.93 56.09 3ipv s PHE 70 Cb -0.13 -0.19 0.03 0.00 -0.63 0.00 0.00 43.02 42.11 3ipv s PHE 70 CO 0.20 -0.78 0.36 0.00 -0.05 0.00 0.00 175.22 174.94 3ipv s ALA 71 N -4.07 -0.88 -0.07 1.99 0.00 -0.42 -0.81 121.76 117.50 3ipv s ALA 71 Ca 0.29 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 3ipv s ALA 71 Cb 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.63 3ipv s ALA 71 CO 0.09 -0.17 0.18 -0.08 0.00 0.00 0.00 175.76 175.77 3ipv s THR 72 N 0.10 -0.01 0.15 0.00 -1.32 0.27 -1.43 115.64 113.39 3ipv s THR 72 Ca -0.01 0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.60 3ipv s THR 72 Cb -0.03 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.65 3ipv s THR 72 CO 0.01 0.02 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.30 3ipv s SER 73 N 0.39 2.67 0.11 8.08 1.04 -0.45 -1.30 113.70 124.24 3ipv s SER 73 Ca -0.02 -0.81 -0.24 0.00 0.48 0.00 0.00 55.95 55.36 3ipv s SER 73 Cb -0.04 -0.16 0.07 0.00 0.10 0.00 0.00 66.02 65.99 3ipv s SER 73 CO -0.02 0.00 0.60 0.72 0.98 0.00 0.00 173.24 175.52 3ipv s PHE 74 N -1.76 -0.54 -0.08 5.02 -0.71 -0.75 0.19 117.98 119.35 3ipv s PHE 74 Ca 0.13 0.46 0.04 0.00 -1.04 0.00 0.00 56.93 56.52 3ipv s PHE 74 Cb -0.07 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 3ipv s PHE 74 CO 0.06 -0.79 -0.20 0.50 -1.34 0.00 0.00 175.22 173.45 3ipv s ARG 75 N -3.20 2.51 0.03 1.99 3.52 -1.04 -0.16 118.95 122.59 3ipv s ARG 75 Ca -0.02 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 3ipv s ARG 75 Cb -0.01 -1.97 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 3ipv s ARG 75 CO -0.08 0.16 0.13 -0.59 -0.81 0.00 0.00 175.30 174.11 3ipv s PHE 76 N 0.36 0.13 -0.05 5.12 -0.71 -0.61 -0.90 117.98 121.33 3ipv s PHE 76 Ca -0.15 -0.36 0.05 0.00 -1.04 0.00 0.00 56.93 55.43 3ipv s PHE 76 Cb -0.16 -0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.55 3ipv s PHE 76 CO 0.06 -0.36 -0.20 0.99 -1.34 0.00 0.00 175.22 174.37 3ipv s THR 77 N -2.28 1.68 -0.23 -4.49 2.01 0.73 -0.37 115.64 112.70 3ipv s THR 77 Ca -0.08 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 3ipv s THR 77 Cb -0.03 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 3ipv s THR 77 CO -0.03 0.48 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.75 3ipv s ILE 78 N -0.04 3.71 -0.20 1.82 1.01 -1.26 -1.25 121.20 124.99 3ipv s ILE 78 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3ipv s ILE 78 Cb -0.12 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3ipv s ILE 78 CO 0.03 0.39 -0.07 -0.47 0.00 0.00 0.00 174.94 174.82 3ipv s TYR 79 N 1.53 2.93 -0.13 3.97 5.04 -1.25 -0.90 117.35 128.53 3ipv s TYR 79 Ca 0.06 -0.87 0.01 0.00 -2.44 0.00 0.00 57.07 53.82 3ipv s TYR 79 Cb -0.15 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.12 3ipv s TYR 79 CO -0.01 -0.46 -0.15 0.00 -1.34 0.00 0.00 175.55 173.59 3ipv s ALA 80 N 1.17 2.53 0.44 3.97 0.00 -1.26 -1.40 121.76 127.22 3ipv s ALA 80 Ca 0.02 -0.92 0.20 0.00 0.00 0.00 0.00 51.96 51.26 3ipv s ALA 80 Cb -0.14 -1.15 1.20 0.00 0.00 0.00 0.00 23.12 23.02 3ipv s ALA 80 CO -0.02 0.22 2.03 -1.35 0.00 0.00 0.00 175.76 176.64 3ipv h PRO 81 N 6.78 0.00 -2.79 0.00 0.11 -1.95 -3.37 132.00 130.78 3ipv h PRO 81 Ca -0.25 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.33 3ipv h PRO 81 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.93 3ipv h PRO 81 CO 0.54 0.16 -0.78 1.21 -0.21 0.00 0.00 178.00 178.92 3ipv s ASN 82 N -6.65 3.53 0.00 -2.05 2.47 -1.26 -5.01 114.94 105.97 3ipv s ASN 82 Ca -0.04 -1.31 0.21 0.00 0.42 0.00 0.00 52.86 52.14 3ipv s ASN 82 Cb 0.15 -0.35 1.11 0.00 -1.45 0.00 0.00 41.25 40.70 3ipv s ASN 82 CO 0.65 -0.44 1.64 0.00 -3.72 0.00 0.00 177.10 175.24 3ipv n ILE 83 N 5.23 0.25 0.30 -5.21 0.13 -1.26 -1.64 119.36 117.17 3ipv n ILE 83 Ca -0.06 0.06 0.15 0.00 -1.10 0.00 0.00 62.75 61.81 3ipv n ILE 83 Cb 0.42 -0.73 0.56 0.00 -0.84 0.00 0.00 39.64 39.05 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 3.08 1.00 -2.42 1.51 0.00 -1.96 -3.41 119.26 117.07 3ipv h ALA 84 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3ipv h ALA 84 Cb 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.55 3ipv h ALA 84 CO 0.00 0.00 -0.82 0.95 0.00 0.00 0.00 179.25 179.38 3ipv s THR 85 N -3.52 0.03 0.14 0.00 -4.23 -0.65 -5.14 115.64 102.27 3ipv s THR 85 Ca 0.03 -1.57 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 3ipv s THR 85 Cb 0.08 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 3ipv s THR 85 CO 0.54 -0.90 -0.20 0.27 -0.54 0.00 0.00 174.62 173.79 3ipv s ILE 86 N 1.11 1.85 -0.21 2.99 -4.36 -1.26 -3.31 121.20 118.01 3ipv s ILE 86 Ca 0.18 -1.76 -0.33 0.00 -0.26 0.00 0.00 60.65 58.48 3ipv s ILE 86 Cb -0.20 -1.76 0.15 0.00 1.25 0.00 0.00 42.46 41.90 3ipv s ILE 86 CO -0.01 -0.17 1.22 0.00 0.24 0.00 0.00 174.94 176.23 3ipv s ALA 87 N -1.59 -2.07 -0.05 2.27 0.00 -1.26 -4.48 121.76 114.59 3ipv s ALA 87 Ca 0.12 1.68 0.02 0.00 0.00 0.00 0.00 51.96 53.78 3ipv s ALA 87 Cb -0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3ipv s ALA 87 CO 0.06 -0.46 -0.02 -0.25 0.00 0.00 0.00 175.76 175.09 3ipv n ASP 88 N 0.19 3.77 0.00 0.00 8.00 0.76 -3.26 116.55 126.01 3ipv n ASP 88 Ca -0.01 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3ipv n ASP 88 Cb 0.58 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 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 3.01 0.47 3.06 0.44 0.00 -1.04 -0.69 105.19 110.44 3ipv n GLY 89 Ca -0.08 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 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 2.35 -0.04 0.99 0.05 -0.31 -1.65 118.68 120.06 3ipv s LEU 90 Ca 0.00 -0.82 -0.11 0.00 0.05 0.00 0.00 54.13 53.25 3ipv s LEU 90 Cb 0.00 0.22 0.02 0.00 -2.05 0.00 0.00 46.19 44.38 3ipv s LEU 90 CO 0.00 -0.51 0.26 0.00 -0.55 0.00 0.00 176.35 175.55 3ipv s ALA 91 N -3.13 -0.65 0.02 1.48 0.00 0.71 0.24 121.76 120.44 3ipv s ALA 91 Ca -0.00 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 3ipv s ALA 91 Cb 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 3ipv s ALA 91 CO -0.07 -0.20 0.44 0.12 0.00 0.00 0.00 175.76 176.05 3ipv s PHE 92 N -0.79 3.73 0.08 0.00 5.36 -0.77 -0.51 117.98 125.08 3ipv s PHE 92 Ca -0.09 1.03 -0.15 0.00 -0.96 0.00 0.00 56.93 56.77 3ipv s PHE 92 Cb -0.05 -2.32 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 3ipv s PHE 92 CO 0.02 0.62 0.35 -0.59 -1.46 0.00 0.00 175.22 174.16 3ipv s PHE 93 N -1.12 -0.14 -0.06 10.12 -0.71 -0.03 -1.37 117.98 124.67 3ipv s PHE 93 Ca 0.26 -0.08 0.05 0.00 -1.04 0.00 0.00 56.93 56.12 3ipv s PHE 93 Cb -0.17 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 3ipv s PHE 93 CO 0.15 -0.60 -0.23 -0.51 -1.34 0.00 0.00 175.22 172.69 3ipv s LEU 94 N -2.43 2.17 0.27 -1.99 1.02 -0.08 -2.01 118.68 115.64 3ipv s LEU 94 Ca -0.01 -0.47 -0.15 0.00 0.02 0.00 0.00 54.13 53.51 3ipv s LEU 94 Cb 0.01 -1.41 0.01 0.00 0.02 0.00 0.00 46.19 44.82 3ipv s LEU 94 CO -0.07 0.24 0.59 0.00 0.02 0.00 0.00 176.35 177.13 3ipv s ALA 95 N -0.15 -0.58 0.95 4.21 0.00 -0.90 -1.64 121.76 123.64 3ipv s ALA 95 Ca -0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 3ipv s ALA 95 Cb -0.14 0.96 0.15 0.00 0.00 0.00 0.00 23.12 24.10 3ipv s ALA 95 CO 0.04 -0.93 1.07 -2.30 0.00 0.00 0.00 175.76 173.64 3ipv n PRO 96 N -0.43 -0.64 -0.25 0.00 -0.02 -1.25 -1.17 135.00 131.24 3ipv n PRO 96 Ca -0.03 -0.13 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 3ipv n PRO 96 Cb 0.61 -2.32 0.08 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.95 1.08 -0.17 -1.45 2.07 -1.86 -2.03 116.25 111.94 3ipv h VAL 97 Ca -0.45 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3ipv h VAL 97 Cb 1.28 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3ipv h VAL 97 CO 0.41 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.16 3ipv n ALA 98 N -2.32 2.90 -1.77 1.67 0.00 -1.26 -4.76 120.51 114.97 3ipv n ALA 98 Ca 0.08 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 3ipv n ALA 98 Cb 0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.25 6.47 0.19 0.00 1.04 -0.76 -5.02 113.70 115.37 3ipv s SER 99 Ca 0.16 2.87 0.07 0.00 0.48 0.00 0.00 55.95 59.53 3ipv s SER 99 Cb 0.12 -2.66 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 3ipv s SER 99 CO 0.05 -0.77 -0.13 0.00 0.98 0.00 0.00 173.24 173.37 3ipv s ALA 100 N -1.15 1.87 0.40 5.32 0.00 -1.26 -5.07 121.76 121.87 3ipv s ALA 100 Ca 0.52 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.60 3ipv s ALA 100 Cb -0.43 -0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.53 3ipv s ALA 100 CO 0.58 0.03 1.48 -2.14 0.00 0.00 0.00 175.76 175.71 3ipv s PRO 101 N -3.64 4.00 0.00 0.00 0.02 -1.26 -4.97 135.00 129.15 3ipv s PRO 101 Ca 0.21 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3ipv s PRO 101 Cb -0.00 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3ipv s PRO 101 CO 0.05 -0.62 0.00 -0.25 -0.33 0.00 0.00 177.00 175.86 3ipv n ASP 102 N 0.29 0.06 -4.73 2.53 8.00 -0.22 -5.01 116.55 117.47 3ipv n ASP 102 Ca 0.02 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.17 3ipv n ASP 102 Cb 0.40 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.57 3ipv n ASP 102 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3ipv s SER 103 N -0.77 4.54 0.00 -2.24 0.01 -1.04 -4.50 113.70 109.70 3ipv s SER 103 Ca 0.00 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.69 3ipv s SER 103 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3ipv s SER 103 CO 0.00 -2.04 0.00 0.61 0.41 0.00 0.00 173.24 172.22 3ipv n GLY 104 N 0.54 1.14 7.00 3.44 0.00 -1.26 -1.63 105.19 114.42 3ipv n GLY 104 Ca 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 2.07 0.00 -0.02 0.00 -1.26 -1.97 105.19 109.01 3ipv n GLY 105 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.48 0.00 -0.02 0.00 -1.26 -1.44 105.19 101.99 3ipv n GLY 106 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.15 0.00 -1.78 1.61 3.72 -0.83 -4.95 117.46 114.08 3ipv n PHE 107 Ca 0.06 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.29 3ipv n PHE 107 Cb 0.06 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.13 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 -1.42 -1.34 0.00 4.37 4.77 -0.52 -0.95 117.00 121.91 3ipv n LEU 108 Ca 0.09 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3ipv n LEU 108 Cb 0.31 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 38.93 3ipv n LEU 108 CO 0.26 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 3ipv n GLY 109 N -0.50 0.40 0.01 -0.72 0.00 -0.65 -4.10 105.19 99.63 3ipv n GLY 109 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.21 0.99 4.77 -0.12 -1.06 117.00 117.37 3ipv n LEU 110 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3ipv n LEU 110 Cb 0.13 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3ipv n LEU 110 CO 0.00 0.05 -0.28 -0.36 -1.33 0.00 0.00 177.39 175.47 3ipv s PHE 111 N -2.32 1.12 -0.05 -1.77 0.40 -1.14 -4.87 117.98 109.34 3ipv s PHE 111 Ca -0.03 -1.22 0.19 0.00 -0.60 0.00 0.00 56.93 55.27 3ipv s PHE 111 Cb 0.03 -0.61 -0.29 0.00 0.51 0.00 0.00 43.02 42.66 3ipv s PHE 111 CO 0.25 -0.46 0.36 -0.25 0.70 0.00 0.00 175.22 175.82 3ipv n ASP 112 N -0.23 0.55 -0.54 1.36 8.00 -1.26 -2.49 116.55 121.94 3ipv n ASP 112 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3ipv n ASP 112 Cb 0.65 1.72 0.00 0.00 -0.02 0.00 0.00 41.12 43.47 3ipv n ASP 112 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ipv n SER 113 N -2.26 0.00 0.17 -2.24 3.41 -1.26 -4.90 113.62 106.54 3ipv n SER 113 Ca -0.08 -0.54 0.04 0.00 -0.26 0.00 0.00 58.87 58.03 3ipv n SER 113 Cb 0.61 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.82 3ipv n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ipv h ALA 114 N 1.85 0.92 -2.40 7.33 0.00 -1.97 -3.42 119.26 121.57 3ipv h ALA 114 Ca 0.00 -0.39 -0.47 0.00 0.00 0.00 0.00 54.91 54.04 3ipv h ALA 114 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ipv h ALA 114 CO 0.00 0.54 0.40 0.54 0.00 0.00 0.00 179.25 180.73 3ipv s VAL 115 N -3.48 3.79 0.33 0.00 0.11 -1.26 -4.40 120.40 115.48 3ipv s VAL 115 Ca 0.01 1.23 -0.27 0.00 -2.93 0.00 0.00 61.98 60.02 3ipv s VAL 115 Cb 0.11 -3.57 -0.09 0.00 -1.53 0.00 0.00 36.38 31.29 3ipv s VAL 115 CO 0.70 -0.12 1.07 -0.83 -3.33 0.00 0.00 175.10 172.59 3ipv s GLY 116 N -1.78 2.93 -0.28 6.54 0.00 -1.26 -4.74 107.32 108.73 3ipv s GLY 116 Ca 0.62 0.80 -0.03 0.00 0.00 0.00 0.00 44.72 46.12 3ipv s GLY 116 CO 0.23 1.33 0.52 -0.35 0.00 0.00 0.00 173.10 174.84 3ipv s ASP 117 N -1.18 -0.77 0.63 1.64 -1.08 -0.98 -5.03 116.67 109.90 3ipv s ASP 117 Ca 0.50 0.73 0.31 0.00 -0.52 0.00 0.00 52.55 53.57 3ipv s ASP 117 Cb -0.28 1.79 1.73 0.00 -1.46 0.00 0.00 42.92 44.70 3ipv s ASP 117 CO 0.35 -0.27 2.03 0.71 0.52 0.00 0.00 175.17 178.51 3ipv h THR 118 N 6.07 0.19 0.00 1.71 1.35 -1.97 -1.91 112.91 118.35 3ipv h THR 118 Ca -0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 3ipv h THR 118 Cb 1.15 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3ipv h THR 118 CO 0.24 0.00 -0.09 0.74 -0.25 0.00 0.00 175.52 176.16 3ipv h THR 119 N 0.00 0.36 -0.96 6.82 2.02 -1.94 -2.96 112.91 116.25 3ipv h THR 119 Ca 0.06 -0.52 0.07 0.00 0.77 0.00 0.00 66.41 66.79 3ipv h THR 119 Cb 0.61 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 3ipv h THR 119 CO -0.00 0.09 0.62 1.88 0.37 0.00 0.00 175.52 178.48 3ipv h TYR 120 N 0.00 1.13 -6.87 3.16 0.05 -1.67 -3.46 116.97 109.31 3ipv h TYR 120 Ca -0.00 0.03 -0.57 0.00 0.05 0.00 0.00 58.73 58.23 3ipv h TYR 120 Cb 0.37 -0.37 -0.19 0.00 1.01 0.00 0.00 36.73 37.55 3ipv h TYR 120 CO 0.00 0.59 -0.91 1.04 -1.05 0.00 0.00 178.16 177.82 3ipv n GLN 121 N -4.50 -1.98 -4.43 4.88 6.02 -1.12 -4.62 117.38 111.63 3ipv n GLN 121 Ca 0.15 0.24 -0.20 0.00 -0.01 0.00 0.00 57.00 57.17 3ipv n GLN 121 Cb 0.19 -4.27 -0.15 0.00 1.02 0.00 0.00 30.24 27.03 3ipv n GLN 121 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ipv s THR 122 N -3.92 0.82 -0.08 5.09 -4.23 -1.26 -3.88 115.64 108.17 3ipv s THR 122 Ca 0.24 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.37 3ipv s THR 122 Cb -0.13 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.00 3ipv s THR 122 CO 0.96 0.24 -0.20 -0.69 -0.54 0.00 0.00 174.62 174.39 3ipv s VAL 123 N -0.02 1.75 0.03 2.29 1.01 -0.65 -1.28 120.40 123.53 3ipv s VAL 123 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3ipv s VAL 123 Cb -0.06 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3ipv s VAL 123 CO 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 3ipv s ALA 124 N 0.34 0.33 -0.36 5.51 0.00 0.51 -0.90 121.76 127.19 3ipv s ALA 124 Ca -0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 3ipv s ALA 124 Cb -0.16 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.11 3ipv s ALA 124 CO 0.06 -0.11 0.16 0.08 0.00 0.00 0.00 175.76 175.96 3ipv s VAL 125 N -1.52 4.13 0.09 0.00 1.01 -0.47 0.35 120.40 123.98 3ipv s VAL 125 Ca -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 3ipv s VAL 125 Cb -0.09 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3ipv s VAL 125 CO -0.01 -0.24 0.26 -1.83 0.00 0.00 0.00 175.10 173.29 3ipv s GLU 126 N 1.46 3.49 -0.39 2.72 -1.05 0.33 -1.85 118.70 123.42 3ipv s GLU 126 Ca 0.00 -0.34 0.03 0.00 -0.15 0.00 0.00 54.97 54.52 3ipv s GLU 126 Cb -0.20 -2.98 0.11 0.00 -0.44 0.00 0.00 34.13 30.63 3ipv s GLU 126 CO 0.04 0.56 0.13 -0.06 0.95 0.00 0.00 175.26 176.88 3ipv s PHE 127 N -1.57 3.05 -0.17 4.83 0.40 0.14 -1.30 117.98 123.36 3ipv s PHE 127 Ca 0.37 -2.75 -0.03 0.00 -0.60 0.00 0.00 56.93 53.92 3ipv s PHE 127 Cb -0.13 -2.56 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 3ipv s PHE 127 CO 0.27 -0.87 -0.05 0.34 0.70 0.00 0.00 175.22 175.62 3ipv s ASP 128 N 0.69 4.63 0.00 1.36 -1.08 -0.41 -1.17 116.67 120.69 3ipv s ASP 128 Ca 0.13 -0.20 0.08 0.00 -0.52 0.00 0.00 52.55 52.04 3ipv s ASP 128 Cb -0.21 -1.76 0.15 0.00 -1.46 0.00 0.00 42.92 39.64 3ipv s ASP 128 CO -0.08 0.13 0.98 0.35 0.52 0.00 0.00 175.17 177.07 3ipv n THR 129 N 3.79 0.54 -3.75 1.71 -2.24 0.14 -2.03 114.28 112.43 3ipv n THR 129 Ca -0.18 -0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 60.68 3ipv n THR 129 Cb 0.52 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.84 -0.03 -0.42 4.78 5.04 -1.24 -4.49 117.35 120.15 3ipv s TYR 130 Ca 0.13 0.26 -0.29 0.00 -2.44 0.00 0.00 57.07 54.73 3ipv s TYR 130 Cb 0.08 -0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.17 3ipv s TYR 130 CO 0.11 -0.13 1.42 -2.00 -1.34 0.00 0.00 175.55 173.60 3ipv s GLU 131 N 1.28 3.55 -0.51 4.97 2.12 -1.26 -4.97 118.70 123.87 3ipv s GLU 131 Ca -0.07 0.91 -0.20 0.00 0.36 0.00 0.00 54.97 55.97 3ipv s GLU 131 Cb -0.12 -4.03 0.05 0.00 0.26 0.00 0.00 34.13 30.29 3ipv s GLU 131 CO -0.04 -1.60 0.68 -0.80 -0.54 0.00 0.00 175.26 172.97 3ipv s ASN 132 N 4.00 6.25 0.31 -1.70 -0.87 -1.26 -4.91 114.94 116.76 3ipv s ASN 132 Ca 0.61 -0.80 0.02 0.00 -1.57 0.00 0.00 52.86 51.12 3ipv s ASN 132 Cb -0.13 -2.32 0.51 0.00 -0.02 0.00 0.00 41.25 39.29 3ipv s ASN 132 CO 0.32 -0.95 1.86 0.71 -2.57 0.00 0.00 177.10 176.47 3ipv h THR 133 N 5.89 1.21 -0.35 1.60 1.35 -1.94 0.10 112.91 120.77 3ipv h THR 133 Ca -0.27 -0.77 0.10 0.00 -0.55 0.00 0.00 66.41 64.92 3ipv h THR 133 Cb 1.09 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3ipv h THR 133 CO 0.99 0.28 0.54 1.62 -0.25 0.00 0.00 175.52 178.69 3ipv h VAL 134 N 0.66 0.21 -0.40 6.82 3.04 -1.95 -0.68 116.25 123.94 3ipv h VAL 134 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 3ipv h VAL 134 Cb 0.29 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 3ipv h VAL 134 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 3ipv n PHE 135 N -3.37 0.88 -1.60 3.17 3.72 0.27 -4.90 117.46 115.64 3ipv n PHE 135 Ca 0.06 -0.64 -0.19 0.00 -0.05 0.00 0.00 57.45 56.63 3ipv n PHE 135 Cb 0.68 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.38 -0.06 -1.64 4.37 -1.04 -0.26 -4.28 114.28 111.75 3ipv n THR 136 Ca 0.18 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.74 3ipv n THR 136 Cb 0.69 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 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 -1.07 2.25 -4.32 8.00 8.00 -0.66 -4.96 116.55 123.79 3ipv n ASP 137 Ca -0.19 1.15 -0.29 0.00 0.71 0.00 0.00 54.79 56.17 3ipv n ASP 137 Cb 0.62 -1.37 0.20 0.00 -0.02 0.00 0.00 41.12 40.55 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 -0.65 -0.10 0.00 -0.24 0.04 -1.26 -4.70 135.00 128.08 3ipv s PRO 138 Ca 0.67 0.17 0.23 0.00 0.04 0.00 0.00 61.00 62.11 3ipv s PRO 138 Cb -0.70 -1.71 1.40 0.00 0.04 0.00 0.00 34.50 33.53 3ipv s PRO 138 CO 0.52 -3.01 1.86 -0.35 0.04 0.00 0.00 177.00 176.06 3ipv n PRO 139 N -4.31 0.93 -4.29 0.56 -0.04 -1.26 -4.78 135.00 121.81 3ipv n PRO 139 Ca 0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 3ipv n PRO 139 Cb 0.59 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 3ipv n PRO 139 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3ipv s TYR 140 N -2.00 1.45 0.34 0.54 -0.85 -1.26 -4.96 117.35 110.60 3ipv s TYR 140 Ca 0.35 -0.72 -0.29 0.00 -0.52 0.00 0.00 57.07 55.89 3ipv s TYR 140 Cb 0.16 -0.73 -0.12 0.00 0.38 0.00 0.00 41.96 41.65 3ipv s TYR 140 CO 0.27 0.15 1.49 0.25 -1.52 0.00 0.00 175.55 176.19 3ipv n THR 141 N -0.29 1.65 -3.70 -3.49 -2.24 -1.26 -4.90 114.28 100.05 3ipv n THR 141 Ca -0.09 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 3ipv n THR 141 Cb 0.61 -1.88 -0.05 0.00 -2.10 0.00 0.00 70.33 66.90 3ipv n THR 141 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ipv s HIS 142 N -0.72 -0.10 -0.11 4.78 -0.00 -0.86 -1.17 115.29 117.11 3ipv s HIS 142 Ca 0.58 -0.25 -0.11 0.00 -0.00 0.00 0.00 55.06 55.28 3ipv s HIS 142 Cb -0.51 0.16 -0.05 0.00 -0.00 0.00 0.00 32.58 32.18 3ipv s HIS 142 CO 0.58 -0.65 0.25 0.42 -0.00 0.00 0.00 174.74 175.34 3ipv s ILE 143 N -3.76 5.33 0.07 -5.38 1.01 -0.63 -1.29 121.20 116.55 3ipv s ILE 143 Ca 0.03 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.15 3ipv s ILE 143 Cb 0.03 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3ipv s ILE 143 CO -0.11 0.52 -0.07 -0.83 0.00 0.00 0.00 174.94 174.45 3ipv s GLY 144 N -0.43 0.62 -0.25 6.18 0.00 -0.42 -1.84 107.32 111.17 3ipv s GLY 144 Ca 0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.72 3ipv s GLY 144 CO 0.05 -1.16 0.12 -1.36 0.00 0.00 0.00 173.10 170.76 3ipv s PHE 145 N -2.66 3.17 -0.26 1.90 0.08 -0.85 -0.51 117.98 118.85 3ipv s PHE 145 Ca 0.02 -0.11 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 3ipv s PHE 145 Cb -0.01 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 3ipv s PHE 145 CO -0.03 -0.18 0.06 -0.51 -0.10 0.00 0.00 175.22 174.45 3ipv s ASP 146 N 1.46 4.99 -0.39 1.36 1.01 0.16 -0.85 116.67 124.41 3ipv s ASP 146 Ca 0.06 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.92 3ipv s ASP 146 Cb -0.15 -1.88 0.11 0.00 1.01 0.00 0.00 42.92 42.01 3ipv s ASP 146 CO 0.06 -0.09 0.12 -0.69 0.21 0.00 0.00 175.17 174.78 3ipv s VAL 147 N 1.55 2.59 -1.34 -1.27 1.01 -1.26 -0.36 120.40 121.32 3ipv s VAL 147 Ca 0.05 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 59.61 3ipv s VAL 147 Cb -0.16 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3ipv s VAL 147 CO 0.02 -0.65 0.00 0.59 0.00 0.00 0.00 175.10 175.06 3ipv n ASN 148 N 4.17 -5.65 -3.57 3.32 3.02 -0.41 -4.92 115.26 111.22 3ipv n ASN 148 Ca 0.03 0.31 -0.15 0.00 -0.03 0.00 0.00 54.58 54.74 3ipv n ASN 148 Cb 0.41 -4.30 -0.06 0.00 -0.61 0.00 0.00 39.78 35.21 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 -2.45 -0.64 0.40 6.41 0.15 -1.26 -2.32 113.70 113.98 3ipv s SER 149 Ca 0.00 0.93 0.28 0.00 0.70 0.00 0.00 55.95 57.86 3ipv s SER 149 Cb 0.00 0.83 1.03 0.00 -1.71 0.00 0.00 66.02 66.17 3ipv s SER 149 CO 0.00 -0.44 1.82 -0.29 1.20 0.00 0.00 173.24 175.53 3ipv h ILE 150 N 3.31 0.00 -1.57 6.45 6.09 -1.81 -3.41 117.51 126.57 3ipv h ILE 150 Ca -0.27 -0.49 -0.46 0.00 -1.37 0.00 0.00 64.86 62.27 3ipv h ILE 150 Cb 1.15 1.41 -0.05 0.00 0.47 0.00 0.00 36.82 39.79 3ipv h ILE 150 CO 0.25 0.00 1.14 -0.44 -3.07 0.00 0.00 178.15 176.03 3ipv s SER 151 N -5.17 5.54 0.18 2.19 0.01 -1.26 -4.97 113.70 110.22 3ipv s SER 151 Ca 0.04 -0.32 -0.33 0.00 1.31 0.00 0.00 55.95 56.65 3ipv s SER 151 Cb 0.09 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.62 3ipv s SER 151 CO 0.52 -2.29 1.33 -1.20 0.41 0.00 0.00 173.24 172.01 3ipv n SER 152 N 12.05 2.09 0.28 2.44 7.64 -1.26 -4.78 113.62 132.08 3ipv n SER 152 Ca 0.25 1.13 0.16 0.00 1.01 0.00 0.00 58.87 61.42 3ipv n SER 152 Cb 0.50 -1.31 0.79 0.00 -1.01 0.00 0.00 64.21 63.18 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 3.03 0.23 -2.20 0.44 3.07 -1.32 -3.45 117.51 117.30 3ipv h ILE 153 Ca -0.45 -0.47 -0.07 0.00 1.55 0.00 0.00 64.86 65.42 3ipv h ILE 153 Cb 1.31 1.38 -0.20 0.00 -0.27 0.00 0.00 36.82 39.04 3ipv h ILE 153 CO 0.76 0.06 0.09 -0.75 -1.05 0.00 0.00 178.15 177.25 3ipv s LYS 154 N -3.93 0.93 0.25 0.16 2.20 -1.25 -5.02 119.74 113.09 3ipv s LYS 154 Ca -0.01 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 3ipv s LYS 154 Cb 0.11 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 3ipv s LYS 154 CO 0.54 -0.26 0.19 0.95 -0.36 0.00 0.00 175.35 176.41 3ipv s THR 155 N -0.89 0.00 0.11 3.43 -4.23 -1.26 -2.00 115.64 110.80 3ipv s THR 155 Ca -0.09 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.22 3ipv s THR 155 Cb -0.02 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.38 3ipv s THR 155 CO 0.07 0.00 0.51 0.54 -0.54 0.00 0.00 174.62 175.20 3ipv s VAL 156 N -3.90 0.03 0.34 2.29 0.11 -0.77 -5.00 120.40 113.51 3ipv s VAL 156 Ca 0.39 -0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 58.88 3ipv s VAL 156 Cb 0.05 -1.05 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 3ipv s VAL 156 CO 0.18 -0.15 1.31 -0.75 -3.33 0.00 0.00 175.10 172.35 3ipv s LYS 157 N -3.30 4.30 -0.13 1.54 2.20 -1.26 -1.60 119.74 121.48 3ipv s LYS 157 Ca -0.01 2.21 -0.02 0.00 -0.36 0.00 0.00 55.97 57.79 3ipv s LYS 157 Cb 0.00 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.34 3ipv s LYS 157 CO -0.09 -0.23 0.02 -0.46 -0.36 0.00 0.00 175.35 174.23 3ipv s TRP 158 N -1.16 0.85 -0.42 4.03 -0.00 -0.32 -4.69 118.94 117.22 3ipv s TRP 158 Ca 0.50 -0.52 -0.23 0.00 -0.00 0.00 0.00 56.10 55.85 3ipv s TRP 158 Cb -0.39 -0.92 0.02 0.00 -0.00 0.00 0.00 33.47 32.18 3ipv s TRP 158 CO 0.52 -0.47 0.78 -1.12 -0.00 0.00 0.00 176.95 176.66 3ipv s SER 159 N 1.92 6.45 0.00 5.86 0.01 -1.26 -4.03 113.70 122.65 3ipv s SER 159 Ca 0.02 0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 3ipv s SER 159 Cb -0.15 -2.39 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 3ipv s SER 159 CO -0.07 -0.86 1.62 -0.22 0.41 0.00 0.00 173.24 174.12 3ipv s LEU 160 N 3.24 4.34 -0.84 2.44 2.96 -1.26 -4.96 118.68 124.60 3ipv s LEU 160 Ca 0.30 2.32 -0.16 0.00 -0.22 0.00 0.00 54.13 56.37 3ipv s LEU 160 Cb -0.12 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.19 3ipv s LEU 160 CO 0.21 -0.88 0.89 0.00 -1.32 0.00 0.00 176.35 175.25 3ipv s ALA 161 N 3.23 3.75 -0.24 5.97 0.00 -1.26 -5.02 121.76 128.19 3ipv s ALA 161 Ca 0.72 -3.00 -0.41 0.00 0.00 0.00 0.00 51.96 49.28 3ipv s ALA 161 Cb -0.36 -3.71 -0.17 0.00 0.00 0.00 0.00 23.12 18.88 3ipv s ALA 161 CO 0.30 -2.54 1.62 -1.71 0.00 0.00 0.00 175.76 173.43 3ipv n ASN 162 N 5.17 1.95 0.00 0.00 5.15 -1.26 -1.36 115.26 124.91 3ipv n ASN 162 Ca 0.15 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.23 3ipv n ASN 162 Cb 0.47 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 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 3.75 0.42 3.91 8.20 0.00 -0.08 -4.97 105.19 116.42 3ipv n GLY 163 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 3.44 0.12 1.61 0.41 -0.46 -4.93 118.70 118.24 3ipv s GLU 164 Ca 0.00 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 53.88 3ipv s GLU 164 Cb 0.00 -3.07 -0.06 0.00 -1.78 0.00 0.00 34.13 29.22 3ipv s GLU 164 CO 0.00 0.64 1.02 0.00 -0.49 0.00 0.00 175.26 176.43 3ipv s ALA 165 N -1.42 3.28 -0.13 5.21 0.00 -1.26 -4.45 121.76 122.99 3ipv s ALA 165 Ca 0.31 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 3ipv s ALA 165 Cb -0.13 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3ipv s ALA 165 CO 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 175.76 175.82 3ipv s ALA 166 N 0.09 2.95 -0.25 0.00 0.00 0.50 -4.39 121.76 120.66 3ipv s ALA 166 Ca 0.49 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3ipv s ALA 166 Cb -0.25 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3ipv s ALA 166 CO 0.31 0.31 0.11 0.15 0.00 0.00 0.00 175.76 176.64 3ipv s LYS 167 N 0.05 3.82 -0.06 0.00 -0.14 0.00 -1.57 119.74 121.84 3ipv s LYS 167 Ca -0.01 -0.39 -0.02 0.00 -1.36 0.00 0.00 55.97 54.19 3ipv s LYS 167 Cb -0.14 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 3ipv s LYS 167 CO 0.03 -0.09 0.03 0.08 -0.76 0.00 0.00 175.35 174.64 3ipv s VAL 168 N 1.41 4.52 -0.08 3.17 1.01 0.77 -1.52 120.40 129.69 3ipv s VAL 168 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3ipv s VAL 168 Cb -0.15 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 3ipv s VAL 168 CO 0.05 0.53 -0.23 -0.22 0.00 0.00 0.00 175.10 175.24 3ipv s LEU 169 N -1.14 2.04 -0.06 3.92 2.96 -0.92 -1.81 118.68 123.66 3ipv s LEU 169 Ca 0.16 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3ipv s LEU 169 Cb -0.12 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.27 3ipv s LEU 169 CO 0.06 0.19 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.56 3ipv s ILE 170 N 0.13 0.85 0.07 6.68 1.01 -0.42 -0.76 121.20 128.77 3ipv s ILE 170 Ca -0.11 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3ipv s ILE 170 Cb -0.16 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3ipv s ILE 170 CO 0.06 0.30 -0.13 0.42 0.00 0.00 0.00 174.94 175.59 3ipv s THR 171 N 0.87 1.05 -0.14 2.92 -4.23 0.51 -0.57 115.64 116.06 3ipv s THR 171 Ca -0.11 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3ipv s THR 171 Cb -0.15 -1.07 0.04 0.00 1.34 0.00 0.00 72.50 72.66 3ipv s THR 171 CO 0.01 -0.28 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.32 3ipv s TYR 172 N -1.44 1.18 -0.25 3.99 5.04 0.01 -0.75 117.35 125.13 3ipv s TYR 172 Ca -0.02 -0.70 -0.11 0.00 -2.44 0.00 0.00 57.07 53.80 3ipv s TYR 172 Cb -0.09 -1.07 -0.05 0.00 0.35 0.00 0.00 41.96 41.10 3ipv s TYR 172 CO 0.02 -0.51 0.20 1.21 -1.34 0.00 0.00 175.55 175.13 3ipv s ASN 173 N 1.81 6.13 0.38 4.32 3.84 -0.91 -1.66 114.94 128.83 3ipv s ASN 173 Ca 0.02 0.13 0.20 0.00 0.21 0.00 0.00 52.86 53.42 3ipv s ASN 173 Cb -0.14 -2.13 0.48 0.00 -0.55 0.00 0.00 41.25 38.91 3ipv s ASN 173 CO -0.07 0.01 1.64 0.77 -2.79 0.00 0.00 177.10 176.66 3ipv h SER 174 N 7.74 0.00 -0.39 -4.21 4.64 -1.86 0.32 113.55 119.80 3ipv h SER 174 Ca -0.37 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3ipv h SER 174 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3ipv h SER 174 CO 0.63 0.30 -0.00 0.00 -0.87 0.00 0.00 176.83 176.89 3ipv h ALA 175 N 1.70 0.52 -0.00 5.18 0.00 -1.93 -3.20 119.26 121.53 3ipv h ALA 175 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ipv h ALA 175 Cb 1.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ipv h ALA 175 CO 0.04 0.30 -0.76 1.33 0.00 0.00 0.00 179.25 180.16 3ipv n VAL 176 N -4.46 0.00 -1.44 0.00 0.24 -1.15 -4.96 118.33 106.57 3ipv n VAL 176 Ca -0.01 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.34 62.11 3ipv n VAL 176 Cb 0.29 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 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 -1.33 -1.45 -3.18 7.34 5.02 0.11 -4.92 118.16 119.74 3ipv n LYS 177 Ca 0.05 1.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.97 3ipv n LYS 177 Cb 0.34 -5.35 -0.06 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.41 4.16 -0.18 -0.35 2.96 -1.10 -0.99 118.68 119.76 3ipv s LEU 178 Ca 0.00 0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 54.59 3ipv s LEU 178 Cb 0.00 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 3ipv s LEU 178 CO 0.00 -0.21 0.14 -0.22 -1.32 0.00 0.00 176.35 174.73 3ipv s LEU 179 N 1.69 4.26 -0.03 -0.68 2.96 0.32 -2.15 118.68 125.04 3ipv s LEU 179 Ca 0.27 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3ipv s LEU 179 Cb -0.16 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.45 3ipv s LEU 179 CO 0.10 0.24 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.63 3ipv s VAL 180 N -0.00 0.56 -0.06 1.68 1.01 0.07 -1.38 120.40 122.27 3ipv s VAL 180 Ca 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3ipv s VAL 180 Cb -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.73 3ipv s VAL 180 CO -0.00 0.21 -0.11 0.00 0.00 0.00 0.00 175.10 175.19 3ipv s ALA 181 N 0.57 1.16 0.13 5.51 0.00 -0.24 -0.36 121.76 128.53 3ipv s ALA 181 Ca -0.08 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.58 3ipv s ALA 181 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3ipv s ALA 181 CO 0.00 0.11 -0.15 -1.54 0.00 0.00 0.00 175.76 174.18 3ipv s SER 182 N 0.60 2.16 -0.04 0.00 1.04 0.06 -0.93 113.70 116.60 3ipv s SER 182 Ca -0.12 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 3ipv s SER 182 Cb -0.15 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.90 3ipv s SER 182 CO 0.03 -0.11 0.11 -0.22 0.98 0.00 0.00 173.24 174.03 3ipv s LEU 183 N -2.47 1.36 0.02 2.42 0.20 -0.46 -2.17 118.68 117.58 3ipv s LEU 183 Ca 0.10 0.22 0.02 0.00 0.69 0.00 0.00 54.13 55.16 3ipv s LEU 183 Cb -0.05 0.33 -0.01 0.00 -0.43 0.00 0.00 46.19 46.03 3ipv s LEU 183 CO 0.04 -0.07 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.27 3ipv s VAL 184 N 0.39 0.52 -0.33 1.68 1.01 -0.58 -1.28 120.40 121.81 3ipv s VAL 184 Ca -0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3ipv s VAL 184 Cb -0.04 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.88 3ipv s VAL 184 CO -0.02 -0.09 0.08 -0.31 0.00 0.00 0.00 175.10 174.77 3ipv s TYR 185 N -0.68 3.27 0.51 5.22 2.02 -0.51 -0.82 117.35 126.36 3ipv s TYR 185 Ca -0.03 -1.58 0.17 0.00 -0.37 0.00 0.00 57.07 55.26 3ipv s TYR 185 Cb -0.06 -2.27 1.28 0.00 -0.40 0.00 0.00 41.96 40.51 3ipv s TYR 185 CO 0.00 -0.76 2.14 -1.35 -1.57 0.00 0.00 175.55 174.01 3ipv h PRO 186 N 8.16 0.00 0.01 -1.71 0.11 -1.87 0.32 132.00 137.02 3ipv h PRO 186 Ca -0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 3ipv h PRO 186 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ipv h PRO 186 CO 0.59 0.03 -0.01 0.66 -0.21 0.00 0.00 178.00 179.06 3ipv h SER 187 N 0.00 -0.02 0.60 -2.05 4.64 -1.94 -3.25 113.55 111.53 3ipv h SER 187 Ca -0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ipv h SER 187 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3ipv h SER 187 CO 0.00 0.46 -0.47 -1.20 -0.87 0.00 0.00 176.83 174.75 3ipv n SER 188 N -4.87 0.48 -1.37 4.97 7.64 -1.17 -4.96 113.62 114.34 3ipv n SER 188 Ca -0.08 -0.13 -0.18 0.00 1.01 0.00 0.00 58.87 59.49 3ipv n SER 188 Cb 0.24 0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.59 -1.33 -2.97 1.43 4.01 0.11 -5.01 118.16 112.81 3ipv n LYS 189 Ca 0.05 1.13 -0.31 0.00 -0.51 0.00 0.00 58.31 58.67 3ipv n LYS 189 Cb 0.35 -5.43 -0.04 0.00 -0.51 0.00 0.00 35.03 29.40 3ipv n LYS 189 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3ipv s THR 190 N -2.62 4.77 -0.11 -0.18 -4.23 -1.21 -4.94 115.64 107.11 3ipv s THR 190 Ca 0.00 0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 3ipv s THR 190 Cb 0.00 -3.69 0.04 0.00 1.34 0.00 0.00 72.50 70.19 3ipv s THR 190 CO 0.00 -0.40 0.47 -0.94 -0.54 0.00 0.00 174.62 173.21 3ipv s SER 191 N -2.88 -0.45 -0.01 3.99 1.04 -1.26 -1.43 113.70 112.71 3ipv s SER 191 Ca 0.52 0.69 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 3ipv s SER 191 Cb -0.10 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 3ipv s SER 191 CO 0.27 -0.33 0.08 -0.36 0.98 0.00 0.00 173.24 173.88 3ipv s PHE 192 N -0.44 0.04 0.03 5.02 0.08 -0.40 -4.99 117.98 117.32 3ipv s PHE 192 Ca -0.06 -0.07 -0.16 0.00 0.12 0.00 0.00 56.93 56.76 3ipv s PHE 192 Cb -0.03 -0.05 0.03 0.00 -0.57 0.00 0.00 43.02 42.40 3ipv s PHE 192 CO 0.03 -0.16 0.36 -1.50 -0.10 0.00 0.00 175.22 173.85 3ipv s ILE 193 N -0.79 0.07 -0.06 0.64 2.07 -1.26 -1.35 121.20 120.52 3ipv s ILE 193 Ca -0.09 -0.54 -0.11 0.00 -1.41 0.00 0.00 60.65 58.50 3ipv s ILE 193 Cb -0.05 -0.90 0.02 0.00 0.13 0.00 0.00 42.46 41.66 3ipv s ILE 193 CO 0.00 -0.30 0.26 -0.22 -1.91 0.00 0.00 174.94 172.78 3ipv s LEU 194 N -1.92 1.02 -0.00 8.50 2.96 -0.10 -4.93 118.68 124.19 3ipv s LEU 194 Ca -0.06 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3ipv s LEU 194 Cb -0.01 1.00 -0.00 0.00 0.50 0.00 0.00 46.19 47.68 3ipv s LEU 194 CO -0.02 -0.25 0.06 0.00 -1.32 0.00 0.00 176.35 174.82 3ipv s ALA 195 N -0.57 -0.13 -0.02 5.97 0.00 -1.26 -1.08 121.76 124.67 3ipv s ALA 195 Ca -0.07 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 3ipv s ALA 195 Cb -0.04 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.19 3ipv s ALA 195 CO 0.02 -0.13 0.70 0.34 0.00 0.00 0.00 175.76 176.69 3ipv s ASP 196 N -0.86 -0.60 0.04 0.00 -1.08 -0.48 -5.00 116.67 108.68 3ipv s ASP 196 Ca -0.09 0.53 -0.30 0.00 -0.52 0.00 0.00 52.55 52.16 3ipv s ASP 196 Cb -0.06 0.52 -0.05 0.00 -1.46 0.00 0.00 42.92 41.87 3ipv s ASP 196 CO 0.00 -0.65 1.20 -0.63 0.52 0.00 0.00 175.17 175.60 3ipv s ILE 197 N -1.74 4.09 -0.04 4.11 -1.09 -1.26 -0.52 121.20 124.75 3ipv s ILE 197 Ca -0.07 1.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.84 3ipv s ILE 197 Cb -0.00 -3.96 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 3ipv s ILE 197 CO 0.04 0.09 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.13 3ipv s VAL 198 N 1.29 0.36 -0.79 2.92 1.01 -0.16 -4.93 120.40 120.09 3ipv s VAL 198 Ca 0.58 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 3ipv s VAL 198 Cb -0.28 -0.42 0.13 0.00 0.00 0.00 0.00 36.38 35.81 3ipv s VAL 198 CO 0.28 0.19 0.92 -0.62 0.00 0.00 0.00 175.10 175.87 3ipv s ASP 199 N 1.04 6.48 0.33 3.32 2.15 -1.26 -4.75 116.67 123.97 3ipv s ASP 199 Ca -0.09 -1.87 0.10 0.00 0.43 0.00 0.00 52.55 51.12 3ipv s ASP 199 Cb -0.14 -2.34 0.57 0.00 -0.30 0.00 0.00 42.92 40.72 3ipv s ASP 199 CO -0.01 -1.03 1.75 -0.07 -0.17 0.00 0.00 175.17 175.64 3ipv h LEU 200 N 9.92 0.09 -1.69 -1.34 3.38 -1.98 -2.94 115.31 120.74 3ipv h LEU 200 Ca -0.03 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ipv h LEU 200 Cb 1.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3ipv h LEU 200 CO 1.05 0.50 0.33 -1.28 0.09 0.00 0.00 178.44 179.13 3ipv h SER 201 N 0.07 0.32 0.03 -0.43 0.87 -1.90 0.26 113.55 112.77 3ipv h SER 201 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ipv h SER 201 Cb 0.78 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3ipv h SER 201 CO 0.06 0.21 -0.71 -1.54 -0.53 0.00 0.00 176.83 174.32 3ipv n SER 202 N -4.47 1.44 -0.07 6.23 3.41 -1.11 -4.51 113.62 114.54 3ipv n SER 202 Ca 0.07 -1.19 -0.12 0.00 -0.26 0.00 0.00 58.87 57.37 3ipv n SER 202 Cb 0.29 0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.80 0.73 -2.95 -3.33 0.24 -0.70 -5.06 118.33 106.46 3ipv n VAL 203 Ca 0.07 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.34 61.86 3ipv n VAL 203 Cb 0.39 -1.40 -0.02 0.00 -1.47 0.00 0.00 33.84 31.34 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 -6.35 3.84 0.84 1.34 1.43 0.82 -4.28 118.68 116.31 3ipv s LEU 204 Ca -0.18 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 3ipv s LEU 204 Cb 0.06 -3.80 0.12 0.00 0.03 0.00 0.00 46.19 42.60 3ipv s LEU 204 CO 0.26 -0.40 1.19 -2.16 0.23 0.00 0.00 176.35 175.47 3ipv s PRO 205 N -4.09 1.58 0.47 1.29 0.05 -1.26 -4.76 135.00 128.28 3ipv s PRO 205 Ca 0.47 -0.15 0.16 0.00 0.05 0.00 0.00 61.00 61.53 3ipv s PRO 205 Cb -0.10 -1.97 1.14 0.00 0.05 0.00 0.00 34.50 33.62 3ipv s PRO 205 CO 0.36 -1.79 2.02 0.93 0.05 0.00 0.00 177.00 178.57 3ipv h GLU 206 N -1.15 0.25 -6.34 4.56 5.08 -1.95 -3.42 114.58 111.62 3ipv h GLU 206 Ca -0.45 -0.02 -0.68 0.00 -1.00 0.00 0.00 59.36 57.21 3ipv h GLU 206 Cb 1.30 -0.06 -0.30 0.00 0.50 0.00 0.00 28.75 30.19 3ipv h GLU 206 CO 0.56 0.17 -0.88 -1.58 -1.00 0.00 0.00 179.01 176.27 3ipv s TRP 207 N -5.26 2.29 0.06 4.33 0.52 -1.26 -0.08 118.94 119.54 3ipv s TRP 207 Ca -0.07 -0.51 -0.04 0.00 0.02 0.00 0.00 56.10 55.50 3ipv s TRP 207 Cb 0.19 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 31.00 3ipv s TRP 207 CO 0.73 -0.09 0.06 0.14 0.02 0.00 0.00 176.95 177.80 3ipv s VAL 208 N -0.45 0.18 0.14 4.03 -7.23 -0.48 -4.27 120.40 112.32 3ipv s VAL 208 Ca 0.06 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 3ipv s VAL 208 Cb -0.11 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3ipv s VAL 208 CO 0.00 -0.81 0.08 -0.13 -0.31 0.00 0.00 175.10 173.93 3ipv s ARG 209 N -3.59 2.73 0.06 4.82 0.52 -0.32 -0.12 118.95 123.05 3ipv s ARG 209 Ca 0.03 -0.90 0.06 0.00 -0.52 0.00 0.00 55.73 54.41 3ipv s ARG 209 Cb 0.05 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 3ipv s ARG 209 CO -0.09 0.50 -0.17 0.14 0.02 0.00 0.00 175.30 175.70 3ipv s VAL 210 N -1.63 1.34 -0.47 3.52 -7.23 -1.26 -2.12 120.40 112.55 3ipv s VAL 210 Ca 0.29 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3ipv s VAL 210 Cb -0.10 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.63 3ipv s VAL 210 CO 0.21 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 3ipv n GLY 211 N 1.64 -0.85 3.23 2.32 0.00 -0.85 -0.82 105.19 109.87 3ipv n GLY 211 Ca -0.19 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.00 1.43 0.01 1.61 0.08 -0.11 -0.85 117.98 116.15 3ipv s PHE 212 Ca 0.00 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.53 3ipv s PHE 212 Cb 0.00 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 3ipv s PHE 212 CO 0.00 0.14 0.03 0.45 -0.10 0.00 0.00 175.22 175.74 3ipv s SER 213 N -2.16 0.15 0.15 1.36 0.15 0.33 -1.52 113.70 112.16 3ipv s SER 213 Ca 0.06 -0.36 -0.19 0.00 0.70 0.00 0.00 55.95 56.16 3ipv s SER 213 Cb -0.07 0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 3ipv s SER 213 CO 0.03 -0.30 0.51 0.00 1.20 0.00 0.00 173.24 174.68 3ipv s ALA 214 N -1.31 -1.22 -0.00 5.45 0.00 0.16 -0.20 121.76 124.64 3ipv s ALA 214 Ca -0.14 0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 3ipv s ALA 214 Cb -0.08 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3ipv s ALA 214 CO -0.00 -0.73 0.40 0.00 0.00 0.00 0.00 175.76 175.43 3ipv s ALA 215 N -3.79 -1.00 0.44 0.00 0.00 -0.66 -1.64 121.76 115.11 3ipv s ALA 215 Ca 0.03 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.53 3ipv s ALA 215 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3ipv s ALA 215 CO -0.11 -0.34 0.43 0.95 0.00 0.00 0.00 175.76 176.70 3ipv s THR 216 N -1.67 2.60 0.62 0.00 -4.23 -0.75 -0.17 115.64 112.04 3ipv s THR 216 Ca -0.11 -1.28 -0.18 0.00 -1.18 0.00 0.00 61.69 58.95 3ipv s THR 216 Cb -0.03 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 3ipv s THR 216 CO 0.03 0.00 1.18 -0.83 -0.54 0.00 0.00 174.62 174.46 3ipv s GLY 217 N -4.21 2.56 0.26 3.99 0.00 -0.04 -4.20 107.32 105.69 3ipv s GLY 217 Ca 0.49 0.89 0.06 0.00 0.00 0.00 0.00 44.72 46.16 3ipv s GLY 217 CO 0.29 1.27 1.61 0.00 0.00 0.00 0.00 173.10 176.27 3ipv h ALA 218 N 0.57 0.94 -2.42 3.20 0.00 -1.96 0.21 119.26 119.81 3ipv h ALA 218 Ca -0.49 -0.51 -0.49 0.00 0.00 0.00 0.00 54.91 53.41 3ipv h ALA 218 Cb 1.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3ipv h ALA 218 CO 0.54 0.70 0.19 -1.12 0.00 0.00 0.00 179.25 179.56 3ipv s SER 219 N -6.89 7.06 0.51 0.00 0.01 -1.26 -4.66 113.70 108.46 3ipv s SER 219 Ca -0.04 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 3ipv s SER 219 Cb 0.12 -2.46 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 3ipv s SER 219 CO 0.78 -0.08 1.38 -0.54 0.41 0.00 0.00 173.24 175.19 3ipv s LYS 220 N -2.32 3.38 0.00 12.44 -0.14 -1.26 -2.40 119.74 129.44 3ipv s LYS 220 Ca 0.49 2.29 0.00 0.00 -1.36 0.00 0.00 55.97 57.39 3ipv s LYS 220 Cb -0.15 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 3ipv s LYS 220 CO 0.20 -1.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.18 3ipv n GLY 221 N 0.66 2.72 3.31 -3.33 0.00 -1.26 -4.94 105.19 102.36 3ipv n GLY 221 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3ipv n GLY 221 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ipv n TYR 222 N -1.97 4.65 -3.94 1.61 4.01 -1.01 -4.69 117.16 115.81 3ipv n TYR 222 Ca 0.00 -3.46 -0.11 0.00 -0.16 0.00 0.00 57.90 54.17 3ipv n TYR 222 Cb 0.00 -1.88 -0.13 0.00 -0.31 0.00 0.00 39.34 37.02 3ipv n TYR 222 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3ipv s ILE 223 N -0.14 0.10 0.17 -0.72 -4.36 -1.21 -0.86 121.20 114.18 3ipv s ILE 223 Ca 0.37 -0.37 -0.20 0.00 -0.26 0.00 0.00 60.65 60.19 3ipv s ILE 223 Cb -0.04 -0.15 0.05 0.00 1.25 0.00 0.00 42.46 43.57 3ipv s ILE 223 CO -0.02 -0.17 0.54 -1.83 0.24 0.00 0.00 174.94 173.70 3ipv s GLU 224 N -0.56 1.28 0.59 0.37 -1.05 -1.25 -4.51 118.70 113.56 3ipv s GLU 224 Ca -0.06 -0.65 -0.08 0.00 -0.15 0.00 0.00 54.97 54.04 3ipv s GLU 224 Cb -0.04 0.55 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 3ipv s GLU 224 CO -0.00 -0.54 0.94 0.95 0.95 0.00 0.00 175.26 177.55 3ipv s THR 225 N -3.80 4.18 -0.40 1.83 -4.23 -0.49 -4.72 115.64 108.00 3ipv s THR 225 Ca 0.04 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 3ipv s THR 225 Cb -0.01 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.38 3ipv s THR 225 CO -0.09 -0.74 0.40 1.41 -0.54 0.00 0.00 174.62 175.05 3ipv n HIS 226 N -2.61 -0.74 -3.52 3.99 -0.00 -1.26 -3.90 115.22 107.18 3ipv n HIS 226 Ca 0.04 -3.39 -0.37 0.00 -0.00 0.00 0.00 57.72 54.00 3ipv n HIS 226 Cb 0.56 0.06 -0.09 0.00 -0.00 0.00 0.00 29.99 30.52 3ipv n HIS 226 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ipv s ASP 227 N -0.37 6.24 -0.18 0.41 1.01 -0.38 -2.34 116.67 121.07 3ipv s ASP 227 Ca 0.34 0.27 -0.06 0.00 0.71 0.00 0.00 52.55 53.80 3ipv s ASP 227 Cb 0.08 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 3ipv s ASP 227 CO -0.17 -0.02 0.03 -0.69 0.21 0.00 0.00 175.17 174.53 3ipv s VAL 228 N 1.32 4.49 -0.20 -1.27 1.01 0.14 -0.19 120.40 125.70 3ipv s VAL 228 Ca 0.13 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.02 3ipv s VAL 228 Cb -0.14 -3.01 -0.21 0.00 0.00 0.00 0.00 36.38 33.01 3ipv s VAL 228 CO 0.07 0.46 0.05 0.49 0.00 0.00 0.00 175.10 176.17 3ipv n PHE 229 N 3.63 0.34 -3.66 5.22 3.72 -0.08 -1.62 117.46 125.01 3ipv n PHE 229 Ca -0.17 0.09 -0.10 0.00 -0.05 0.00 0.00 57.45 57.22 3ipv n PHE 229 Cb 0.52 -1.05 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 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 -6.30 -0.28 -0.28 4.37 1.04 -1.24 -4.18 113.70 106.84 3ipv s SER 230 Ca -0.23 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 3ipv s SER 230 Cb 0.08 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.81 3ipv s SER 230 CO 0.72 -0.95 0.73 0.86 0.98 0.00 0.00 173.24 175.57 3ipv s TRP 231 N -3.83 -0.99 0.13 5.02 -0.00 0.19 -2.50 118.94 116.95 3ipv s TRP 231 Ca 0.06 2.01 0.05 0.00 -0.00 0.00 0.00 56.10 58.22 3ipv s TRP 231 Cb 0.00 0.58 -0.04 0.00 -0.00 0.00 0.00 33.47 34.01 3ipv s TRP 231 CO -0.08 -0.49 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.72 3ipv s SER 232 N 1.50 1.87 -0.06 5.86 1.04 0.13 0.13 113.70 124.16 3ipv s SER 232 Ca -0.09 -0.88 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 3ipv s SER 232 Cb -0.05 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.05 3ipv s SER 232 CO -0.18 -0.22 0.23 0.12 0.98 0.00 0.00 173.24 174.17 3ipv s PHE 233 N -2.59 -0.18 -0.13 5.02 2.19 0.04 -1.34 117.98 120.98 3ipv s PHE 233 Ca 0.11 0.41 -0.06 0.00 0.33 0.00 0.00 56.93 57.73 3ipv s PHE 233 Cb -0.02 0.06 0.06 0.00 -1.31 0.00 0.00 43.02 41.81 3ipv s PHE 233 CO 0.02 -0.21 0.29 0.00 1.83 0.00 0.00 175.22 177.15 3ipv s ALA 234 N -0.47 -0.67 0.27 11.12 0.00 -0.52 -1.00 121.76 130.50 3ipv s ALA 234 Ca -0.06 1.07 0.11 0.00 0.00 0.00 0.00 51.96 53.09 3ipv s ALA 234 Cb -0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 3ipv s ALA 234 CO 0.01 -0.47 -0.11 -1.54 0.00 0.00 0.00 175.76 173.66 3ipv s SER 235 N 1.95 4.05 -0.16 0.00 1.04 -0.11 -1.30 113.70 119.17 3ipv s SER 235 Ca -0.04 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 3ipv s SER 235 Cb -0.11 -0.56 0.08 0.00 0.10 0.00 0.00 66.02 65.52 3ipv s SER 235 CO -0.09 0.02 0.30 -0.75 0.98 0.00 0.00 173.24 173.70 3ipv s LYS 236 N -3.57 0.20 -0.27 4.02 2.20 0.22 -3.24 119.74 119.30 3ipv s LYS 236 Ca 0.30 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 3ipv s LYS 236 Cb -0.06 -0.03 0.05 0.00 -1.51 0.00 0.00 37.83 36.28 3ipv s LYS 236 CO 0.17 -0.32 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.61 3ipv s LEU 237 N 2.47 3.51 0.30 5.43 2.96 -0.34 -1.05 118.68 131.96 3ipv s LEU 237 Ca 0.01 -1.22 -0.24 0.00 -0.22 0.00 0.00 54.13 52.47 3ipv s LEU 237 Cb -0.12 -1.63 -0.09 0.00 0.50 0.00 0.00 46.19 44.84 3ipv s LEU 237 CO -0.10 -0.20 0.87 0.00 -1.32 0.00 0.00 176.35 175.60 3ipv s ALA 238 N 1.21 3.26 -2.00 5.97 0.00 -1.26 -0.58 121.76 128.36 3ipv s ALA 238 Ca -0.05 0.40 0.27 0.00 0.00 0.00 0.00 51.96 52.57 3ipv s ALA 238 Cb -0.19 -3.06 1.59 0.00 0.00 0.00 0.00 23.12 21.46 3ipv s ALA 238 CO -0.04 0.22 1.94 0.41 0.00 0.00 0.00 175.76 178.29