#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4t s THR 2 N 0.00 -0.04 0.13 0.00 -4.23 0.37 -4.99 115.64 106.87 2i4t s THR 2 Ca 0.00 0.15 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2i4t s THR 2 Cb 0.00 -0.22 0.16 0.00 1.34 0.00 0.00 72.50 73.77 2i4t s THR 2 CO 0.00 0.06 0.35 -2.65 -0.54 0.00 0.00 174.62 171.84 2i4t n PRO 3 N 4.00 0.00 -0.02 3.99 -0.02 -1.26 0.33 135.00 142.02 2i4t n PRO 3 Ca -0.24 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 2i4t n PRO 3 Cb 0.53 -0.57 0.02 0.00 -0.02 0.00 0.00 33.50 33.46 2i4t n PRO 3 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2i4t n HIS 4 N -2.32 0.05 -3.62 6.00 8.25 -1.26 -4.97 115.22 117.35 2i4t n HIS 4 Ca 0.09 -0.19 -0.17 0.00 -0.26 0.00 0.00 57.72 57.20 2i4t n HIS 4 Cb 0.44 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.39 2i4t n HIS 4 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2i4t s ASN 5 N -0.53 0.92 0.06 0.41 2.47 0.99 -4.77 114.94 114.50 2i4t s ASN 5 Ca 0.05 0.19 0.05 0.00 0.42 0.00 0.00 52.86 53.57 2i4t s ASN 5 Cb 0.03 0.35 -0.23 0.00 -1.45 0.00 0.00 41.25 39.95 2i4t s ASN 5 CO 0.04 -0.27 1.07 0.77 -3.72 0.00 0.00 177.10 174.99 2i4t h SER 6 N 8.34 0.11 -2.02 -4.21 4.64 -1.82 0.74 113.55 119.33 2i4t h SER 6 Ca -0.14 -0.14 -0.47 0.00 -0.47 0.00 0.00 61.79 60.57 2i4t h SER 6 Cb 1.13 -0.04 0.24 0.00 -0.31 0.00 0.00 62.40 63.42 2i4t h SER 6 CO 0.18 1.11 -1.52 0.00 -0.87 0.00 0.00 176.83 175.74 2i4t n ALA 7 N -2.46 -4.56 -2.35 5.18 0.00 -1.10 -2.91 120.51 112.32 2i4t n ALA 7 Ca -0.07 -1.26 -0.18 0.00 0.00 0.00 0.00 53.44 51.92 2i4t n ALA 7 Cb 0.99 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 2i4t n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2i4t s GLN 8 N -3.03 1.33 -0.67 0.00 1.11 -1.26 -3.35 119.66 113.79 2i4t s GLN 8 Ca 0.50 -1.59 -0.30 0.00 0.01 0.00 0.00 55.36 53.98 2i4t s GLN 8 Cb -0.07 -1.11 -0.14 0.00 -1.01 0.00 0.00 33.01 30.68 2i4t s GLN 8 CO 0.67 0.18 2.49 0.28 0.01 0.00 0.00 175.29 178.92 2i4t n VAL 9 N -0.38 -0.01 0.00 1.09 0.31 -1.26 0.13 118.33 118.21 2i4t n VAL 9 Ca -0.08 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2i4t n VAL 9 Cb 0.60 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2i4t n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i4t n GLY 10 N 6.31 1.51 0.06 2.92 0.00 -1.26 -4.94 105.19 109.79 2i4t n GLY 10 Ca 0.49 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.60 2i4t n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i4t n ASP 11 N 0.00 0.29 -4.32 1.61 8.00 0.34 -4.66 116.55 117.81 2i4t n ASP 11 Ca 0.00 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.75 2i4t n ASP 11 Cb 0.00 -0.63 -0.15 0.00 -0.02 0.00 0.00 41.12 40.32 2i4t n ASP 11 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2i4t s PHE 12 N -3.14 2.76 0.45 1.24 0.08 -1.26 -4.61 117.98 113.50 2i4t s PHE 12 Ca 0.06 -0.80 -0.24 0.00 0.12 0.00 0.00 56.93 56.06 2i4t s PHE 12 Cb 0.09 -1.83 -0.09 0.00 -0.57 0.00 0.00 43.02 40.62 2i4t s PHE 12 CO 0.31 -0.31 1.19 0.00 -0.10 0.00 0.00 175.22 176.32 2i4t n ALA 13 N 3.65 0.98 0.26 5.36 0.00 -1.26 -4.87 120.51 124.63 2i4t n ALA 13 Ca -0.18 0.22 0.16 0.00 0.00 0.00 0.00 53.44 53.64 2i4t n ALA 13 Cb 0.53 -2.22 0.74 0.00 0.00 0.00 0.00 19.45 18.50 2i4t n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2i4t h GLU 14 N 1.76 0.00 -5.05 0.00 5.08 -1.90 -3.37 114.58 111.10 2i4t h GLU 14 Ca -0.47 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.22 2i4t h GLU 14 Cb 1.31 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.21 2i4t h GLU 14 CO 0.58 0.00 -0.86 0.99 -1.00 0.00 0.00 179.01 178.72 2i4t s THR 15 N -4.24 2.02 -0.10 1.13 2.01 -1.26 -0.30 115.64 114.90 2i4t s THR 15 Ca -0.03 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.07 2i4t s THR 15 Cb 0.10 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 2i4t s THR 15 CO 0.33 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.93 2i4t s VAL 16 N 1.20 2.64 0.32 3.82 1.01 -0.30 -1.65 120.40 127.44 2i4t s VAL 16 Ca 0.02 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2i4t s VAL 16 Cb -0.14 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 2i4t s VAL 16 CO -0.10 0.55 0.71 -0.76 0.00 0.00 0.00 175.10 175.50 2i4t s LEU 17 N 0.09 4.03 -0.07 3.92 1.43 0.20 -2.09 118.68 126.20 2i4t s LEU 17 Ca -0.08 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.16 2i4t s LEU 17 Cb -0.15 -4.00 0.03 0.00 0.03 0.00 0.00 46.19 42.09 2i4t s LEU 17 CO 0.05 -0.22 0.18 -0.04 0.23 0.00 0.00 176.35 176.55 2i4t s MET 18 N -3.13 0.17 0.41 1.70 -1.94 -0.71 -2.18 119.30 113.63 2i4t s MET 18 Ca 0.53 0.31 0.04 0.00 -1.71 0.00 0.00 55.69 54.86 2i4t s MET 18 Cb -0.10 -0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.71 2i4t s MET 18 CO 0.21 -0.08 0.13 0.00 -0.01 0.00 0.00 175.02 175.26 2i4t h GLY 20 N 1.78 -0.01 -6.11 0.00 0.00 -1.81 1.20 103.07 98.11 2i4t h GLY 20 Ca -0.35 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.42 2i4t h GLY 20 CO 0.57 -0.00 1.20 -0.35 0.00 0.00 0.00 176.54 177.96 2i4t s ASP 21 N -5.87 6.24 0.50 0.19 -1.08 -1.26 -3.04 116.67 112.34 2i4t s ASP 21 Ca -0.10 1.80 0.27 0.00 -0.52 0.00 0.00 52.55 54.01 2i4t s ASP 21 Cb -0.01 -2.53 1.27 0.00 -1.46 0.00 0.00 42.92 40.19 2i4t s ASP 21 CO 0.36 -1.35 1.98 1.55 0.52 0.00 0.00 175.17 178.23 2i4t h PRO 22 N 11.42 0.00 0.00 4.34 0.13 -1.89 -1.97 132.00 144.04 2i4t h PRO 22 Ca -0.37 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.61 2i4t h PRO 22 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2i4t h PRO 22 CO 0.99 0.15 -0.71 -0.07 -0.23 0.00 0.00 178.00 178.13 2i4t h LEU 23 N 0.00 0.00 -0.65 1.56 3.38 -1.92 -2.72 115.31 114.96 2i4t h LEU 23 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2i4t h LEU 23 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2i4t h LEU 23 CO 0.02 0.71 -0.60 -0.09 0.09 0.00 0.00 178.44 178.57 2i4t h ARG 24 N 0.00 0.25 -0.67 1.13 2.43 -1.79 -0.91 114.38 114.83 2i4t h ARG 24 Ca -0.01 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2i4t h ARG 24 Cb 1.30 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 2i4t h ARG 24 CO 0.09 0.78 0.42 0.00 -1.51 0.00 0.00 179.97 179.75 2i4t h ALA 25 N 1.18 0.88 -0.28 2.80 0.00 -1.11 -2.43 119.26 120.30 2i4t h ALA 25 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2i4t h ALA 25 Cb 1.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2i4t h ALA 25 CO 0.09 0.20 0.15 0.87 0.00 0.00 0.00 179.25 180.56 2i4t h LYS 26 N 0.84 0.39 -0.96 0.00 1.57 -1.25 -2.66 116.57 114.49 2i4t h LYS 26 Ca 0.27 -0.05 0.30 0.00 -1.87 0.00 0.00 60.65 59.30 2i4t h LYS 26 Cb 0.00 -0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.09 2i4t h LYS 26 CO -0.10 0.34 0.42 1.25 -0.57 0.00 0.00 179.45 180.80 2i4t h LEU 27 N 0.33 0.27 -3.62 2.94 5.85 -0.68 1.26 115.31 121.67 2i4t h LEU 27 Ca 0.10 0.20 -0.44 0.00 0.84 0.00 0.00 57.88 58.58 2i4t h LEU 27 Cb 0.07 0.21 -0.24 0.00 0.37 0.00 0.00 40.66 41.07 2i4t h LEU 27 CO -0.02 -0.17 0.56 -0.38 -0.34 0.00 0.00 178.44 178.09 2i4t n ILE 28 N -5.15 2.87 -0.09 4.05 5.41 -1.01 -2.39 119.36 123.05 2i4t n ILE 28 Ca 0.28 -1.73 -0.15 0.00 1.00 0.00 0.00 62.75 62.15 2i4t n ILE 28 Cb 0.89 -0.76 -0.09 0.00 -0.71 0.00 0.00 39.64 38.98 2i4t n ILE 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i4t h ALA 29 N 1.37 0.15 0.00 -1.39 0.00 0.17 -3.36 119.26 116.20 2i4t h ALA 29 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2i4t h ALA 29 Cb 2.04 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.37 2i4t h ALA 29 CO 0.97 0.52 0.00 0.39 0.00 0.00 0.00 179.25 181.12 2i4t n GLU 30 N -4.52 0.00 0.00 0.00 -0.58 -1.26 -2.94 120.64 111.33 2i4t n GLU 30 Ca -0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2i4t n GLU 30 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 2i4t n GLU 30 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2i4t n THR 31 N -0.35 0.00 0.00 2.62 -1.04 -1.01 -4.89 114.28 109.61 2i4t n THR 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2i4t n THR 31 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2i4t n THR 31 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2i4t n TYR 32 N 0.00 0.00 -2.07 -1.42 4.02 -1.26 -4.97 117.16 111.46 2i4t n TYR 32 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 2i4t n TYR 32 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 2i4t n TYR 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2i4t s LEU 33 N -1.64 3.56 -0.19 7.72 2.01 -1.15 -4.75 118.68 124.24 2i4t s LEU 33 Ca 0.00 1.95 -0.01 0.00 0.01 0.00 0.00 54.13 56.07 2i4t s LEU 33 Cb 0.00 -4.55 -0.00 0.00 0.01 0.00 0.00 46.19 41.65 2i4t s LEU 33 CO 0.00 -1.25 -0.11 -1.83 1.01 0.00 0.00 176.35 174.16 2i4t s GLU 34 N -3.83 3.25 -0.09 1.70 -1.05 -0.87 -4.31 118.70 113.49 2i4t s GLU 34 Ca 0.67 -0.71 -0.01 0.00 -0.15 0.00 0.00 54.97 54.77 2i4t s GLU 34 Cb -0.19 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 2i4t s GLU 34 CO 0.34 -0.13 0.08 0.09 0.95 0.00 0.00 175.26 176.60 2i4t n ASN 35 N 4.50 -2.26 -4.39 0.83 5.03 -1.26 -3.33 115.26 114.37 2i4t n ASN 35 Ca -0.19 -0.04 -0.16 0.00 0.87 0.00 0.00 54.58 55.06 2i4t n ASN 35 Cb 0.51 -0.82 -0.17 0.00 -1.02 0.00 0.00 39.78 38.29 2i4t n ASN 35 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2i4t n PRO 36 N -0.87 0.03 -2.90 3.52 -0.02 -1.26 -4.67 135.00 128.82 2i4t n PRO 36 Ca -0.00 -0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 2i4t n PRO 36 Cb 0.51 -1.18 -0.05 0.00 -0.02 0.00 0.00 33.50 32.76 2i4t n PRO 36 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2i4t s LYS 37 N 6.66 3.42 0.14 -0.52 2.20 -1.00 -4.97 119.74 125.66 2i4t s LYS 37 Ca 0.99 -0.09 -0.33 0.00 -0.36 0.00 0.00 55.97 56.18 2i4t s LYS 37 Cb -0.60 -3.97 -0.17 0.00 -1.51 0.00 0.00 37.83 31.58 2i4t s LYS 37 CO 0.41 -1.23 0.93 -0.11 -0.36 0.00 0.00 175.35 174.99 2i4t n LEU 38 N 6.99 0.27 0.00 5.43 7.94 -1.26 -2.29 117.00 134.08 2i4t n LEU 38 Ca 0.03 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2i4t n LEU 38 Cb 0.48 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2i4t n LEU 38 CO 0.61 -1.99 0.00 1.33 -1.11 0.00 0.00 177.39 176.23 2i4t n VAL 39 N 0.97 0.00 -3.35 1.96 0.24 0.16 -4.90 118.33 113.40 2i4t n VAL 39 Ca 0.17 -0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.46 2i4t n VAL 39 Cb 0.21 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 2i4t n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2i4t s ASN 40 N -0.06 -1.23 0.00 -1.34 2.47 -1.12 -2.70 114.94 110.95 2i4t s ASN 40 Ca 0.00 1.12 0.00 0.00 0.42 0.00 0.00 52.86 54.40 2i4t s ASN 40 Cb 0.00 2.17 0.00 0.00 -1.45 0.00 0.00 41.25 41.97 2i4t s ASN 40 CO 0.00 -0.23 0.79 -3.20 -3.72 0.00 0.00 177.10 170.74 2i4t n ASN 41 N 5.42 1.36 -4.49 -4.21 4.05 -1.26 0.88 115.26 117.01 2i4t n ASN 41 Ca -0.06 -1.63 -0.57 0.00 0.45 0.00 0.00 54.58 52.78 2i4t n ASN 41 Cb 0.50 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.44 2i4t n ASN 41 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 2i4t n VAL 42 N -0.31 0.33 -0.97 3.44 0.31 -1.26 0.11 118.33 119.98 2i4t n VAL 42 Ca 0.00 -0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 64.19 2i4t n VAL 42 Cb 0.28 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.13 2i4t n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i4t n ARG 43 N 1.47 -1.76 -2.39 5.55 1.74 -1.26 -1.65 116.66 118.35 2i4t n ARG 43 Ca 0.19 0.55 -0.04 0.00 -0.77 0.00 0.00 57.85 57.78 2i4t n ARG 43 Cb 0.12 -4.61 0.01 0.00 -1.02 0.00 0.00 32.46 26.95 2i4t n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i4t n GLY 44 N 0.37 0.46 0.54 -0.13 0.00 0.31 -4.92 105.19 101.81 2i4t n GLY 44 Ca -0.05 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.45 2i4t n GLY 44 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i4t n ILE 45 N -3.46 0.21 -3.71 -0.61 0.13 -0.66 -4.86 119.36 106.41 2i4t n ILE 45 Ca -0.02 -0.34 -0.21 0.00 -1.10 0.00 0.00 62.75 61.08 2i4t n ILE 45 Cb 0.52 0.34 0.03 0.00 -0.84 0.00 0.00 39.64 39.69 2i4t n ILE 45 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2i4t n GLN 46 N 0.29 -4.81 -2.53 9.51 1.13 -1.10 -2.08 117.38 117.79 2i4t n GLN 46 Ca 0.16 0.61 -0.42 0.00 -1.94 0.00 0.00 57.00 55.41 2i4t n GLN 46 Cb 0.32 -5.14 -0.03 0.00 0.11 0.00 0.00 30.24 25.50 2i4t n GLN 46 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2i4t s GLY 47 N -4.36 2.39 -0.01 1.08 0.00 0.26 -4.17 107.32 102.51 2i4t s GLY 47 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 44.72 45.39 2i4t s GLY 47 CO 0.82 2.01 -0.11 -0.19 0.00 0.00 0.00 173.10 175.63 2i4t s TYR 48 N 1.61 1.01 -0.13 1.90 1.51 0.25 0.39 117.35 123.88 2i4t s TYR 48 Ca 0.55 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 56.41 2i4t s TYR 48 Cb -0.24 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 2i4t s TYR 48 CO 0.25 -0.02 -0.13 -0.08 -1.11 0.00 0.00 175.55 174.46 2i4t s THR 49 N -0.24 3.06 0.00 -0.71 -1.32 -0.97 0.33 115.64 115.78 2i4t s THR 49 Ca 0.04 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2i4t s THR 49 Cb -0.05 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 2i4t s THR 49 CO -0.00 0.52 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 2i4t n GLY 50 N 3.55 5.16 3.51 6.08 0.00 -0.22 -2.38 105.19 120.89 2i4t n GLY 50 Ca -0.18 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2i4t n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i4t s THR 51 N 1.32 0.00 -0.06 2.61 -4.23 -1.21 -3.29 115.64 110.79 2i4t s THR 51 Ca 0.00 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 2i4t s THR 51 Cb 0.00 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.97 2i4t s THR 51 CO 0.00 -0.02 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.52 2i4t s TYR 52 N -0.11 1.07 -1.55 3.99 6.14 0.13 -2.05 117.35 124.97 2i4t s TYR 52 Ca -0.03 -0.38 -0.06 0.00 0.64 0.00 0.00 57.07 57.25 2i4t s TYR 52 Cb -0.03 -0.87 0.06 0.00 0.42 0.00 0.00 41.96 41.53 2i4t s TYR 52 CO 0.03 -0.26 0.14 1.63 0.64 0.00 0.00 175.55 177.73 2i4t n LYS 53 N 4.12 -0.89 -0.57 4.97 5.02 -1.26 -0.66 118.16 128.88 2i4t n LYS 53 Ca -0.22 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2i4t n LYS 53 Cb 0.51 -3.67 0.00 0.00 -0.02 0.00 0.00 35.03 31.85 2i4t n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i4t n GLY 54 N -2.14 1.78 3.82 0.72 0.00 -1.26 -5.01 105.19 103.10 2i4t n GLY 54 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2i4t n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4t s LYS 55 N -0.03 3.92 -0.58 1.61 -0.14 0.16 -5.00 119.74 119.69 2i4t s LYS 55 Ca 0.00 0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 54.66 2i4t s LYS 55 Cb 0.00 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2i4t s LYS 55 CO 0.00 0.62 1.57 -1.25 -0.76 0.00 0.00 175.35 175.53 2i4t s PRO 56 N -0.81 3.08 0.59 -1.68 0.04 -1.26 0.21 135.00 135.17 2i4t s PRO 56 Ca 0.22 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.77 2i4t s PRO 56 Cb -0.16 -4.22 0.06 0.00 0.04 0.00 0.00 34.50 30.22 2i4t s PRO 56 CO 0.11 -2.21 0.83 0.42 0.04 0.00 0.00 177.00 176.19 2i4t s ILE 57 N 7.03 2.52 0.04 0.56 1.09 -1.21 -4.38 121.20 126.85 2i4t s ILE 57 Ca 0.57 -0.66 -0.02 0.00 -1.10 0.00 0.00 60.65 59.44 2i4t s ILE 57 Cb -0.12 -2.87 -0.03 0.00 -1.06 0.00 0.00 42.46 38.39 2i4t s ILE 57 CO 0.23 0.00 0.01 -0.44 -0.10 0.00 0.00 174.94 174.64 2i4t s SER 58 N -4.51 0.32 0.20 3.58 0.01 -0.66 -1.06 113.70 111.58 2i4t s SER 58 Ca 0.60 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 57.20 2i4t s SER 58 Cb -0.09 0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.27 2i4t s SER 58 CO 0.40 -0.48 -0.06 0.54 0.41 0.00 0.00 173.24 174.05 2i4t s VAL 59 N -2.74 1.22 -0.20 3.43 0.11 0.15 -0.63 120.40 121.75 2i4t s VAL 59 Ca -0.04 -2.07 -0.30 0.00 -2.93 0.00 0.00 61.98 56.63 2i4t s VAL 59 Cb -0.01 -2.12 0.15 0.00 -1.53 0.00 0.00 36.38 32.88 2i4t s VAL 59 CO -0.06 -0.53 1.14 -0.32 -3.33 0.00 0.00 175.10 172.01 2i4t s MET 60 N -3.78 0.39 0.44 1.54 1.75 -0.93 -0.59 119.30 118.13 2i4t s MET 60 Ca 0.23 0.06 -0.10 0.00 -1.25 0.00 0.00 55.69 54.63 2i4t s MET 60 Cb 0.03 0.18 -0.06 0.00 2.84 0.00 0.00 34.83 37.83 2i4t s MET 60 CO 0.05 -0.13 0.81 0.20 -0.65 0.00 0.00 175.02 175.30 2i4t s GLY 61 N -1.21 1.86 0.00 2.11 0.00 -0.89 -1.61 107.32 107.57 2i4t s GLY 61 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2i4t s GLY 61 CO -0.03 -0.02 0.29 -2.39 0.00 0.00 0.00 173.10 170.95 2i4t n HIS 62 N -1.58 0.00 0.00 1.90 1.44 0.41 -4.82 115.22 112.57 2i4t n HIS 62 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2i4t n HIS 62 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 2i4t n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2i4t n GLY 63 N 0.24 -0.61 3.75 -1.39 0.00 -1.17 -2.99 105.19 103.03 2i4t n GLY 63 Ca 0.00 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 2i4t n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2i4t s MET 64 N -3.19 4.80 0.00 1.61 -1.94 -1.26 -4.60 119.30 114.72 2i4t s MET 64 Ca 0.00 1.43 0.00 0.00 -1.71 0.00 0.00 55.69 55.41 2i4t s MET 64 Cb 0.00 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.56 2i4t s MET 64 CO 0.00 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 175.93 2i4t n GLY 65 N 1.55 0.29 0.26 -0.03 0.00 -1.23 -4.53 105.19 101.50 2i4t n GLY 65 Ca -0.02 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.50 2i4t n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i4t h LEU 66 N 0.00 -0.39 -1.83 0.99 4.07 -1.62 -1.62 115.31 114.91 2i4t h LEU 66 Ca 0.00 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 2i4t h LEU 66 Cb 0.00 0.34 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 2i4t h LEU 66 CO 0.00 -0.17 -0.05 -0.65 -1.08 0.00 0.00 178.44 176.49 2i4t h PRO 67 N 0.08 0.04 0.50 1.13 0.11 -1.90 0.11 132.00 132.08 2i4t h PRO 67 Ca 0.37 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 2i4t h PRO 67 Cb 0.63 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2i4t h PRO 67 CO -0.64 0.10 -0.24 1.03 -0.21 0.00 0.00 178.00 178.03 2i4t h SER 68 N 0.04 -0.57 -0.13 -2.05 0.87 -1.54 -3.05 113.55 107.12 2i4t h SER 68 Ca 0.01 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2i4t h SER 68 Cb 0.12 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2i4t h SER 68 CO 0.01 -0.16 0.09 -0.29 -0.53 0.00 0.00 176.83 175.95 2i4t h ILE 69 N -1.15 0.98 0.00 2.23 2.10 -1.28 0.90 117.51 121.28 2i4t h ILE 69 Ca -0.07 -0.03 -0.02 0.00 1.08 0.00 0.00 64.86 65.82 2i4t h ILE 69 Cb 0.55 0.89 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 2i4t h ILE 69 CO 0.11 0.02 -0.07 0.00 -1.08 0.00 0.00 178.15 177.13 2i4t h ILE 71 N 0.00 0.47 0.44 0.00 2.04 -0.71 -2.95 117.51 116.80 2i4t h ILE 71 Ca -0.00 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2i4t h ILE 71 Cb 0.19 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2i4t h ILE 71 CO 0.01 0.14 -0.48 1.88 0.00 0.00 0.00 178.15 179.69 2i4t h TYR 72 N -1.00 -1.34 -0.53 1.37 0.05 -1.37 -2.52 116.97 111.63 2i4t h TYR 72 Ca -0.02 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.88 2i4t h TYR 72 Cb 0.39 0.53 -0.09 0.00 1.01 0.00 0.00 36.73 38.56 2i4t h TYR 72 CO 0.06 -0.63 -0.03 0.00 -1.05 0.00 0.00 178.16 176.50 2i4t h ALA 73 N -0.93 0.47 -0.46 3.88 0.00 -1.36 0.70 119.26 121.57 2i4t h ALA 73 Ca -0.06 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i4t h ALA 73 Cb 0.82 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2i4t h ALA 73 CO -0.08 -0.40 0.28 1.49 0.00 0.00 0.00 179.25 180.53 2i4t h GLU 74 N 0.08 0.62 0.37 0.00 4.81 -1.41 -1.49 114.58 117.56 2i4t h GLU 74 Ca 0.27 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2i4t h GLU 74 Cb 0.42 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2i4t h GLU 74 CO -0.47 0.46 -0.38 0.93 -0.73 0.00 0.00 179.01 178.82 2i4t h GLU 75 N 0.61 -0.74 -0.76 1.92 5.08 -0.93 -1.85 114.58 117.91 2i4t h GLU 75 Ca 0.16 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.75 2i4t h GLU 75 Cb -0.00 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.28 2i4t h GLU 75 CO -0.03 -0.49 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.41 2i4t h LEU 76 N -0.77 -0.37 -0.15 1.33 3.38 -0.68 0.35 115.31 118.41 2i4t h LEU 76 Ca -0.03 0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2i4t h LEU 76 Cb 0.69 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2i4t h LEU 76 CO -0.07 -0.19 -0.39 1.88 0.09 0.00 0.00 178.44 179.76 2i4t h TYR 77 N 0.10 0.00 0.00 1.13 0.05 -1.07 -0.91 116.97 116.27 2i4t h TYR 77 Ca 0.42 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.80 2i4t h TYR 77 Cb 0.73 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.41 2i4t h TYR 77 CO -0.43 0.39 -2.40 0.45 -1.05 0.00 0.00 178.16 175.12 2i4t n SER 78 N -3.23 1.99 -0.10 3.88 2.88 -0.71 -4.03 113.62 114.29 2i4t n SER 78 Ca 0.02 0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.46 2i4t n SER 78 Cb 0.66 -0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 2i4t n SER 78 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2i4t n THR 79 N -3.63 1.50 0.87 2.46 -1.04 0.12 -4.33 114.28 110.22 2i4t n THR 79 Ca -0.46 -0.01 0.04 0.00 -2.04 0.00 0.00 64.05 61.58 2i4t n THR 79 Cb 0.91 -2.15 0.14 0.00 -1.82 0.00 0.00 70.33 67.41 2i4t n THR 79 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2i4t n TYR 80 N -4.45 0.50 -2.56 -1.42 4.02 -0.96 -4.77 117.16 107.52 2i4t n TYR 80 Ca -0.27 -0.22 -0.03 0.00 -0.01 0.00 0.00 57.90 57.37 2i4t n TYR 80 Cb 0.59 -0.07 -0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2i4t n TYR 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2i4t n LYS 81 N 0.32 -2.84 -1.66 -0.72 4.76 -0.94 -4.63 118.16 112.45 2i4t n LYS 81 Ca 0.10 0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 2i4t n LYS 81 Cb 0.34 -4.60 0.01 0.00 -1.84 0.00 0.00 35.03 28.94 2i4t n LYS 81 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2i4t n VAL 82 N -2.68 2.62 -0.04 -0.18 0.31 -0.39 -4.87 118.33 113.10 2i4t n VAL 82 Ca -0.02 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.81 2i4t n VAL 82 Cb 0.51 -1.39 -0.12 0.00 -0.91 0.00 0.00 33.84 31.93 2i4t n VAL 82 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2i4t n LYS 83 N -0.00 1.10 -3.67 5.55 4.01 0.59 -4.55 118.16 121.17 2i4t n LYS 83 Ca 0.08 -0.07 -0.10 0.00 -0.51 0.00 0.00 58.31 57.72 2i4t n LYS 83 Cb 0.40 -1.38 -0.10 0.00 -0.51 0.00 0.00 35.03 33.44 2i4t n LYS 83 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2i4t s THR 84 N -2.69 -0.38 -0.18 -0.18 2.01 -0.46 -1.49 115.64 112.28 2i4t s THR 84 Ca -0.07 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 2i4t s THR 84 Cb 0.07 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2i4t s THR 84 CO 0.63 0.06 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.84 2i4t s ILE 85 N 2.10 2.58 -0.19 1.82 1.01 -0.68 -1.15 121.20 126.69 2i4t s ILE 85 Ca -0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 2i4t s ILE 85 Cb -0.10 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2i4t s ILE 85 CO -0.13 0.51 -0.08 -0.63 0.00 0.00 0.00 174.94 174.61 2i4t s ILE 86 N 1.12 3.23 -0.30 2.92 1.01 -0.89 -1.37 121.20 126.92 2i4t s ILE 86 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 2i4t s ILE 86 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2i4t s ILE 86 CO -0.05 0.47 0.54 -0.60 0.00 0.00 0.00 174.94 175.30 2i4t s ARG 87 N 1.04 3.89 -0.14 2.79 3.52 -0.53 -1.73 118.95 127.79 2i4t s ARG 87 Ca 0.00 0.17 -0.05 0.00 -0.13 0.00 0.00 55.73 55.72 2i4t s ARG 87 Cb -0.15 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2i4t s ARG 87 CO -0.01 -0.50 0.03 0.14 -0.81 0.00 0.00 175.30 174.15 2i4t s VAL 88 N 2.42 4.50 0.00 7.11 -7.23 -0.28 0.14 120.40 127.05 2i4t s VAL 88 Ca 0.21 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2i4t s VAL 88 Cb -0.15 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2i4t s VAL 88 CO 0.11 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 2i4t n GLY 89 N 2.94 1.84 3.33 2.32 0.00 -1.15 -4.03 105.19 110.43 2i4t n GLY 89 Ca -0.18 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 2i4t n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i4t s THR 90 N -2.66 1.05 0.16 2.61 -4.23 -1.26 -2.42 115.64 108.88 2i4t s THR 90 Ca 0.00 -2.04 -0.25 0.00 -1.18 0.00 0.00 61.69 58.23 2i4t s THR 90 Cb 0.00 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.59 2i4t s THR 90 CO 0.00 -0.34 0.99 0.00 -0.54 0.00 0.00 174.62 174.73 2i4t s GLY 92 N -3.04 1.14 0.34 0.00 0.00 0.39 -2.46 107.32 103.69 2i4t s GLY 92 Ca 0.14 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 2i4t s GLY 92 CO 0.03 -0.25 1.20 0.00 0.00 0.00 0.00 173.10 174.07 2i4t s ALA 93 N 0.34 3.35 -0.18 3.20 0.00 -0.54 -0.76 121.76 127.17 2i4t s ALA 93 Ca -0.15 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 2i4t s ALA 93 Cb -0.16 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 2i4t s ALA 93 CO 0.06 -0.46 -0.19 -0.89 0.00 0.00 0.00 175.76 174.29 2i4t n ILE 94 N 0.67 1.01 -2.02 0.00 5.41 -0.41 -1.17 119.36 122.84 2i4t n ILE 94 Ca 0.01 -0.33 -0.42 0.00 1.00 0.00 0.00 62.75 63.01 2i4t n ILE 94 Cb 0.44 -1.39 -0.03 0.00 -0.71 0.00 0.00 39.64 37.96 2i4t n ILE 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2i4t s ASP 95 N -6.11 6.68 0.51 4.38 2.15 -1.00 -4.84 116.67 118.43 2i4t s ASP 95 Ca -0.25 2.46 0.26 0.00 0.43 0.00 0.00 52.55 55.46 2i4t s ASP 95 Cb 0.08 -2.58 1.36 0.00 -0.30 0.00 0.00 42.92 41.48 2i4t s ASP 95 CO 0.37 -0.78 1.92 0.24 -0.17 0.00 0.00 175.17 176.75 2i4t h MET 96 N 7.27 0.09 -0.34 4.34 2.86 -1.93 0.07 114.93 127.28 2i4t h MET 96 Ca -0.42 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2i4t h MET 96 Cb 1.20 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2i4t h MET 96 CO 0.90 0.06 0.00 -0.25 1.06 0.00 0.00 176.91 178.68 2i4t n ASP 97 N -4.36 1.71 -4.55 1.22 8.00 -1.26 -4.84 116.55 112.47 2i4t n ASP 97 Ca 0.15 -2.03 -0.32 0.00 0.71 0.00 0.00 54.79 53.30 2i4t n ASP 97 Cb 0.76 -0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 41.52 2i4t n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2i4t s ILE 98 N -1.61 3.44 0.23 0.53 1.01 0.01 -5.12 121.20 119.69 2i4t s ILE 98 Ca 0.20 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 2i4t s ILE 98 Cb 0.11 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2i4t s ILE 98 CO 0.13 0.46 0.20 -1.00 0.00 0.00 0.00 174.94 174.73 2i4t s HIS 99 N -0.90 1.14 -0.25 3.97 3.76 -1.26 -4.86 115.29 116.88 2i4t s HIS 99 Ca 0.15 -1.34 -0.04 0.00 -0.15 0.00 0.00 55.06 53.68 2i4t s HIS 99 Cb -0.11 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 2i4t s HIS 99 CO 0.05 -0.72 1.35 2.41 -0.85 0.00 0.00 174.74 176.97 2i4t n THR 100 N -0.33 0.66 0.00 1.30 -1.04 -1.26 -4.73 114.28 108.88 2i4t n THR 100 Ca 0.02 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2i4t n THR 100 Cb 0.65 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 2i4t n THR 100 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2i4t n ASP 102 N 5.17 0.00 -4.28 8.00 9.92 -1.26 -4.95 116.55 129.15 2i4t n ASP 102 Ca 0.16 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.11 2i4t n ASP 102 Cb 0.07 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.39 2i4t n ASP 102 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2i4t s ILE 103 N -1.87 2.09 -0.08 0.53 -1.09 -1.26 -2.19 121.20 117.33 2i4t s ILE 103 Ca 0.00 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.40 2i4t s ILE 103 Cb 0.00 -1.75 -0.00 0.00 -1.58 0.00 0.00 42.46 39.13 2i4t s ILE 103 CO 0.00 0.57 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.38 2i4t s VAL 104 N -0.26 1.82 -0.22 2.92 1.01 -1.09 -0.47 120.40 124.11 2i4t s VAL 104 Ca -0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2i4t s VAL 104 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2i4t s VAL 104 CO 0.03 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 174.94 2i4t s ILE 105 N 0.26 3.12 0.13 2.22 1.01 0.90 -4.30 121.20 124.54 2i4t s ILE 105 Ca -0.13 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.59 2i4t s ILE 105 Cb -0.16 -2.45 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 2i4t s ILE 105 CO 0.06 0.38 0.80 -0.36 0.00 0.00 0.00 174.94 175.82 2i4t s PHE 106 N 1.42 3.86 -0.13 3.97 0.08 -1.14 -1.77 117.98 124.27 2i4t s PHE 106 Ca 0.04 1.62 0.17 0.00 0.12 0.00 0.00 56.93 58.89 2i4t s PHE 106 Cb -0.15 -2.82 -0.24 0.00 -0.57 0.00 0.00 43.02 39.25 2i4t s PHE 106 CO -0.05 0.42 0.37 0.25 -0.10 0.00 0.00 175.22 176.12 2i4t n THR 107 N 2.00 1.26 -3.82 0.64 -2.24 0.12 -4.56 114.28 107.68 2i4t n THR 107 Ca -0.04 -0.78 -0.05 0.00 -2.27 0.00 0.00 64.05 60.92 2i4t n THR 107 Cb 0.49 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2i4t n THR 107 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2i4t s SER 108 N -5.57 -0.08 -0.09 3.42 1.04 -1.25 0.02 113.70 111.19 2i4t s SER 108 Ca -0.07 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 2i4t s SER 108 Cb 0.08 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.83 2i4t s SER 108 CO 0.83 -1.13 0.17 0.00 0.98 0.00 0.00 173.24 174.09 2i4t s ALA 109 N -2.75 -0.22 1.15 5.32 0.00 -0.75 0.34 121.76 124.85 2i4t s ALA 109 Ca 0.16 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 2i4t s ALA 109 Cb -0.03 -0.79 0.24 0.00 0.00 0.00 0.00 23.12 22.54 2i4t s ALA 109 CO 0.06 -0.52 1.01 0.41 0.00 0.00 0.00 175.76 176.71 2i4t n GLY 110 N 5.18 -2.32 3.54 0.00 0.00 0.19 -4.32 105.19 107.46 2i4t n GLY 110 Ca -0.08 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2i4t n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2i4t s THR 111 N -2.96 0.00 -2.15 2.61 -1.32 -1.26 -0.32 115.64 110.24 2i4t s THR 111 Ca 0.62 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.29 2i4t s THR 111 Cb -0.05 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.19 2i4t s THR 111 CO 0.46 0.00 1.18 -0.46 -2.21 0.00 0.00 174.62 173.59 2i4t n ASN 112 N 0.40 2.82 -4.73 8.08 2.04 -1.20 -4.99 115.26 117.67 2i4t n ASN 112 Ca -0.11 -1.84 -0.31 0.00 -0.44 0.00 0.00 54.58 51.88 2i4t n ASN 112 Cb 0.59 -0.10 0.12 0.00 -2.53 0.00 0.00 39.78 37.86 2i4t n ASN 112 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2i4t s SER 113 N -1.42 3.86 0.00 0.53 0.15 -1.26 -4.88 113.70 110.68 2i4t s SER 113 Ca 0.26 1.98 0.22 0.00 0.70 0.00 0.00 55.95 59.11 2i4t s SER 113 Cb 0.17 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 62.15 2i4t s SER 113 CO 0.24 -2.47 1.23 1.17 1.20 0.00 0.00 173.24 174.61 2i4t n LYS 114 N -3.79 2.13 -0.21 5.44 4.81 -1.26 -4.65 118.16 120.63 2i4t n LYS 114 Ca 0.10 -1.89 -0.07 0.00 -0.87 0.00 0.00 58.31 55.59 2i4t n LYS 114 Cb 0.53 -1.43 0.03 0.00 0.02 0.00 0.00 35.03 34.17 2i4t n LYS 114 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2i4t h ILE 115 N 4.33 1.19 0.00 3.15 2.04 -1.99 -0.61 117.51 125.61 2i4t h ILE 115 Ca 0.00 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 2i4t h ILE 115 Cb 0.93 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2i4t h ILE 115 CO 0.00 0.20 -0.50 0.78 0.00 0.00 0.00 178.15 178.63 2i4t h ASN 116 N 0.81 0.00 -0.52 1.72 -0.26 -1.92 -1.34 115.58 114.07 2i4t h ASN 116 Ca 0.21 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.87 2i4t h ASN 116 Cb 0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 2i4t h ASN 116 CO -0.04 0.50 0.02 0.03 -1.06 0.00 0.00 177.43 176.89 2i4t h ARG 117 N 0.00 0.95 -0.38 0.81 3.08 -1.50 -1.84 114.38 115.50 2i4t h ARG 117 Ca -0.01 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 2i4t h ARG 117 Cb 1.01 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 2i4t h ARG 117 CO 0.07 0.92 -0.07 0.82 -1.07 0.00 0.00 179.97 180.64 2i4t h ILE 118 N 0.88 1.23 -0.39 2.04 2.04 -0.52 -1.80 117.51 120.99 2i4t h ILE 118 Ca 0.17 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2i4t h ILE 118 Cb 0.48 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2i4t h ILE 118 CO 0.02 0.34 0.00 -2.11 0.00 0.00 0.00 178.15 176.40 2i4t n ARG 119 N -4.21 1.92 -1.69 2.37 1.85 -0.57 -4.35 116.66 111.98 2i4t n ARG 119 Ca 0.01 -1.42 0.02 0.00 -1.00 0.00 0.00 57.85 55.47 2i4t n ARG 119 Cb 0.31 -1.31 0.02 0.00 -1.05 0.00 0.00 32.46 30.43 2i4t n ARG 119 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2i4t n PHE 120 N 0.65 0.16 -2.83 2.89 -0.00 -0.72 -5.00 117.46 112.60 2i4t n PHE 120 Ca 0.13 -0.79 -0.22 0.00 -0.00 0.00 0.00 57.45 56.57 2i4t n PHE 120 Cb 0.33 -0.06 0.02 0.00 -0.00 0.00 0.00 39.48 39.78 2i4t n PHE 120 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2i4t n MET 121 N 0.22 -3.85 -1.75 -4.13 2.81 -1.15 -2.15 117.12 107.12 2i4t n MET 121 Ca 0.02 0.93 -0.15 0.00 -1.81 0.00 0.00 57.70 56.69 2i4t n MET 121 Cb 1.04 -5.73 -0.04 0.00 -0.71 0.00 0.00 33.22 27.78 2i4t n MET 121 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2i4t n ASP 122 N -2.36 -4.76 -3.29 7.83 4.64 -0.74 -5.00 116.55 112.86 2i4t n ASP 122 Ca -0.15 0.24 -0.09 0.00 -1.38 0.00 0.00 54.79 53.41 2i4t n ASP 122 Cb 0.64 -3.71 0.03 0.00 -1.04 0.00 0.00 41.12 37.04 2i4t n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2i4t n HIS 123 N -3.08 -2.71 -3.08 -0.67 8.25 -0.91 -5.03 115.22 107.98 2i4t n HIS 123 Ca -0.16 -0.93 -0.44 0.00 -0.26 0.00 0.00 57.72 55.93 2i4t n HIS 123 Cb 0.55 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 2i4t n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2i4t s ASP 124 N -2.61 6.23 -0.07 0.41 1.11 -1.26 -4.63 116.67 115.85 2i4t s ASP 124 Ca 0.27 -0.91 -0.25 0.00 0.18 0.00 0.00 52.55 51.84 2i4t s ASP 124 Cb -0.02 -2.32 -0.03 0.00 1.07 0.00 0.00 42.92 41.61 2i4t s ASP 124 CO 0.17 -1.01 0.77 -0.47 1.18 0.00 0.00 175.17 175.81 2i4t s TYR 125 N 2.93 3.57 -0.44 4.23 5.04 -1.26 -5.00 117.35 126.41 2i4t s TYR 125 Ca 0.17 1.32 -0.21 0.00 -2.44 0.00 0.00 57.07 55.92 2i4t s TYR 125 Cb -0.19 -2.89 0.03 0.00 0.35 0.00 0.00 41.96 39.26 2i4t s TYR 125 CO 0.12 0.02 0.66 -1.25 -1.34 0.00 0.00 175.55 173.76 2i4t s PRO 126 N 1.03 3.28 -0.46 4.97 0.04 -1.26 -4.97 135.00 137.63 2i4t s PRO 126 Ca 0.40 -0.36 -0.28 0.00 0.04 0.00 0.00 61.00 60.80 2i4t s PRO 126 Cb -0.18 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 2i4t s PRO 126 CO 0.19 -1.03 1.72 0.00 0.04 0.00 0.00 177.00 177.92 2i4t s ALA 127 N 2.87 2.66 -0.15 8.56 0.00 -1.26 -4.97 121.76 129.47 2i4t s ALA 127 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 2i4t s ALA 127 Cb -0.14 -4.11 -0.01 0.00 0.00 0.00 0.00 23.12 18.86 2i4t s ALA 127 CO 0.19 -3.05 -0.13 0.99 0.00 0.00 0.00 175.76 173.76 2i4t s THR 128 N 7.30 2.88 0.50 0.00 2.01 -1.26 -1.81 115.64 125.26 2i4t s THR 128 Ca 0.70 -0.70 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 2i4t s THR 128 Cb -0.17 -2.22 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 2i4t s THR 128 CO 0.28 0.51 1.31 0.00 -0.69 0.00 0.00 174.62 176.03 2i4t s ALA 129 N 0.70 2.93 0.14 7.40 0.00 0.10 -4.84 121.76 128.20 2i4t s ALA 129 Ca -0.06 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 2i4t s ALA 129 Cb -0.15 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 2i4t s ALA 129 CO 0.02 -1.13 1.69 -1.12 0.00 0.00 0.00 175.76 175.22 2i4t s SER 130 N -1.00 6.50 0.23 0.00 0.01 -0.54 -4.88 113.70 114.03 2i4t s SER 130 Ca 0.67 2.68 -0.07 0.00 1.31 0.00 0.00 55.95 60.54 2i4t s SER 130 Cb -0.37 -2.58 0.29 0.00 0.21 0.00 0.00 66.02 63.56 2i4t s SER 130 CO 0.45 -0.92 1.85 0.15 0.41 0.00 0.00 173.24 175.18 2i4t h PHE 131 N 7.64 0.93 0.00 2.43 3.57 -1.92 0.69 116.94 130.29 2i4t h PHE 131 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2i4t h PHE 131 Cb 1.21 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2i4t h PHE 131 CO 0.72 0.49 0.00 -0.25 -2.23 0.00 0.00 178.31 177.04 2i4t n ASP 132 N -4.64 0.00 -0.14 0.41 8.00 -1.26 -1.56 116.55 117.36 2i4t n ASP 132 Ca 0.11 0.52 -0.04 0.00 0.71 0.00 0.00 54.79 56.09 2i4t n ASP 132 Cb 0.15 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.11 2i4t n ASP 132 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2i4t h VAL 133 N 0.00 0.73 -0.91 2.53 2.07 -1.64 0.31 116.25 119.35 2i4t h VAL 133 Ca 0.00 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2i4t h VAL 133 Cb 0.00 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 2i4t h VAL 133 CO 0.00 0.03 0.57 0.58 0.02 0.00 0.00 177.57 178.77 2i4t h VAL 134 N 0.19 1.03 0.24 2.57 2.07 -0.76 0.35 116.25 121.94 2i4t h VAL 134 Ca 0.22 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2i4t h VAL 134 Cb 0.29 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2i4t h VAL 134 CO -0.31 0.19 -0.11 0.00 0.02 0.00 0.00 177.57 177.35 2i4t h ALA 136 N -0.06 0.04 -0.05 0.00 0.00 0.35 0.15 119.26 119.70 2i4t h ALA 136 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2i4t h ALA 136 Cb 0.48 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2i4t h ALA 136 CO 0.05 -0.66 0.03 -0.07 0.00 0.00 0.00 179.25 178.60 2i4t h LEU 137 N -0.10 0.06 -0.62 0.00 3.38 -0.12 -2.28 115.31 115.63 2i4t h LEU 137 Ca 0.28 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.30 2i4t h LEU 137 Cb 0.57 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 2i4t h LEU 137 CO -0.81 0.09 0.21 0.58 0.09 0.00 0.00 178.44 178.60 2i4t h VAL 138 N 0.02 0.73 0.37 1.22 2.07 0.35 0.14 116.25 121.14 2i4t h VAL 138 Ca 0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2i4t h VAL 138 Cb 0.05 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2i4t h VAL 138 CO -0.00 0.07 -0.18 0.44 0.02 0.00 0.00 177.57 177.92 2i4t h ASP 139 N 0.37 -0.42 -0.97 0.57 3.32 -0.60 -2.31 116.42 116.38 2i4t h ASP 139 Ca 0.32 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.51 2i4t h ASP 139 Cb 0.43 0.11 -0.14 0.00 0.22 0.00 0.00 39.33 39.94 2i4t h ASP 139 CO -0.34 -0.27 -0.44 0.00 -1.72 0.00 0.00 179.24 176.46 2i4t n ALA 140 N -2.29 -0.29 -0.08 3.45 0.00 -0.87 0.25 120.51 120.68 2i4t n ALA 140 Ca -0.06 0.92 0.26 0.00 0.00 0.00 0.00 53.44 54.56 2i4t n ALA 140 Cb 0.20 -0.33 0.68 0.00 0.00 0.00 0.00 19.45 20.00 2i4t n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i4t h ALA 141 N 1.05 2.57 0.00 0.00 0.00 -0.49 -1.67 119.26 120.72 2i4t h ALA 141 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2i4t h ALA 141 Cb 0.52 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2i4t h ALA 141 CO -0.94 -1.10 -0.07 -0.22 0.00 0.00 0.00 179.25 176.92 2i4t h LYS 142 N 0.00 0.00 -0.26 0.00 1.63 0.39 -1.16 116.57 117.17 2i4t h LYS 142 Ca 0.36 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.21 2i4t h LYS 142 Cb 1.78 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.34 2i4t h LYS 142 CO -0.00 0.78 -0.41 0.93 -3.45 0.00 0.00 179.45 177.30 2i4t h GLU 143 N -1.00 -0.39 0.00 1.90 5.08 -0.52 -1.75 114.58 117.90 2i4t h GLU 143 Ca -0.02 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2i4t h GLU 143 Cb 0.81 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2i4t h GLU 143 CO -0.01 -0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.02 2i4t n LEU 144 N -5.42 0.00 -2.39 1.33 4.77 -0.69 -4.86 117.00 109.74 2i4t n LEU 144 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 2i4t n LEU 144 Cb 0.35 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 2i4t n LEU 144 CO 0.09 0.00 -0.22 -3.20 -1.33 0.00 0.00 177.39 172.73 2i4t n ASN 145 N -0.57 -5.02 -4.63 -1.43 5.15 -0.66 -4.97 115.26 103.13 2i4t n ASN 145 Ca 0.02 0.09 -0.36 0.00 -0.60 0.00 0.00 54.58 53.73 2i4t n ASN 145 Cb 0.01 -4.22 -0.10 0.00 -0.53 0.00 0.00 39.78 34.94 2i4t n ASN 145 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2i4t s ILE 146 N -2.84 5.19 0.36 -1.44 1.01 -0.47 -5.04 121.20 117.97 2i4t s ILE 146 Ca 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 2i4t s ILE 146 Cb 0.00 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 2i4t s ILE 146 CO 0.00 0.35 1.42 -2.84 0.00 0.00 0.00 174.94 173.87 2i4t s PRO 147 N 1.10 4.20 0.02 2.79 0.02 -1.26 -4.54 135.00 137.33 2i4t s PRO 147 Ca 0.07 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.55 2i4t s PRO 147 Cb -0.14 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 2i4t s PRO 147 CO 0.05 -0.41 -0.06 0.00 -0.33 0.00 0.00 177.00 176.25 2i4t s ALA 148 N -1.10 0.45 0.12 -1.55 0.00 -1.26 -4.34 121.76 114.09 2i4t s ALA 148 Ca 0.52 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 2i4t s ALA 148 Cb -0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2i4t s ALA 148 CO 0.59 0.03 0.35 0.15 0.00 0.00 0.00 175.76 176.88 2i4t s LYS 149 N -0.85 3.60 -0.05 0.00 -0.14 0.38 -4.96 119.74 117.72 2i4t s LYS 149 Ca -0.05 -0.12 0.03 0.00 -1.36 0.00 0.00 55.97 54.48 2i4t s LYS 149 Cb -0.06 -2.89 0.01 0.00 -1.68 0.00 0.00 37.83 33.21 2i4t s LYS 149 CO 0.00 0.50 -0.13 0.08 -0.76 0.00 0.00 175.35 175.04 2i4t s VAL 150 N -1.61 1.17 -4.88 3.17 1.01 -1.26 -0.07 120.40 117.93 2i4t s VAL 150 Ca 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2i4t s VAL 150 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2i4t s VAL 150 CO 0.24 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2i4t n GLY 151 N 3.46 -0.71 3.79 4.51 0.00 -0.73 -4.98 105.19 110.53 2i4t n GLY 151 Ca -0.20 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 2i4t n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4t s LYS 152 N -1.95 4.47 0.37 1.61 1.02 -1.26 0.16 119.74 124.16 2i4t s LYS 152 Ca 0.00 1.05 0.08 0.00 0.02 0.00 0.00 55.97 57.12 2i4t s LYS 152 Cb 0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2i4t s LYS 152 CO 0.00 0.57 0.23 0.20 -0.92 0.00 0.00 175.35 175.44 2i4t s GLY 153 N -1.18 2.03 -0.18 -3.33 0.00 0.15 -0.40 107.32 104.41 2i4t s GLY 153 Ca 0.35 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 43.21 2i4t s GLY 153 CO 0.24 -1.74 -0.10 -0.12 0.00 0.00 0.00 173.10 171.38 2i4t s PHE 154 N -2.45 2.26 -0.58 1.90 5.36 -0.68 0.55 117.98 124.34 2i4t s PHE 154 Ca 0.41 -1.43 -0.22 0.00 -0.96 0.00 0.00 56.93 54.73 2i4t s PHE 154 Cb -0.02 -1.58 0.06 0.00 -0.34 0.00 0.00 43.02 41.14 2i4t s PHE 154 CO 0.25 -0.71 0.86 -1.12 -1.46 0.00 0.00 175.22 173.04 2i4t s SER 155 N 1.45 6.25 0.19 6.13 0.01 0.56 -1.96 113.70 126.33 2i4t s SER 155 Ca 0.00 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.32 2i4t s SER 155 Cb -0.15 -2.39 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 2i4t s SER 155 CO -0.09 -1.21 0.66 0.28 0.41 0.00 0.00 173.24 173.29 2i4t s THR 156 N 3.58 4.68 -1.12 1.44 -1.32 -0.50 -3.27 115.64 119.12 2i4t s THR 156 Ca 0.23 1.12 0.25 0.00 -1.21 0.00 0.00 61.69 62.08 2i4t s THR 156 Cb -0.16 -3.82 0.05 0.00 -1.51 0.00 0.00 72.50 67.06 2i4t s THR 156 CO 0.14 0.23 1.44 0.47 -2.21 0.00 0.00 174.62 174.69 2i4t n ASP 157 N 0.79 0.58 -3.57 8.08 10.43 -1.26 -4.58 116.55 127.02 2i4t n ASP 157 Ca -0.04 -0.35 -0.28 0.00 2.57 0.00 0.00 54.79 56.69 2i4t n ASP 157 Cb 0.51 0.23 -0.16 0.00 1.84 0.00 0.00 41.12 43.55 2i4t n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2i4t s LEU 158 N -2.92 0.55 0.21 0.64 1.02 -1.26 -4.99 118.68 111.93 2i4t s LEU 158 Ca 0.13 -1.12 -0.10 0.00 0.02 0.00 0.00 54.13 53.07 2i4t s LEU 158 Cb 0.18 -0.34 0.18 0.00 0.02 0.00 0.00 46.19 46.23 2i4t s LEU 158 CO 0.67 -0.41 1.87 0.15 0.02 0.00 0.00 176.35 178.65 2i4t h PHE 159 N 8.40 0.92 -3.19 0.29 3.57 -1.98 -3.30 116.94 121.65 2i4t h PHE 159 Ca -0.18 0.02 -0.75 0.00 3.53 0.00 0.00 57.97 60.59 2i4t h PHE 159 Cb 1.05 -0.31 -0.25 0.00 2.79 0.00 0.00 35.95 39.23 2i4t h PHE 159 CO 0.26 0.56 -0.28 0.71 -2.23 0.00 0.00 178.31 177.32 2i4t s TYR 160 N -6.13 3.28 -0.38 0.41 1.51 -1.26 -5.04 117.35 109.74 2i4t s TYR 160 Ca -0.13 -1.30 -0.19 0.00 -1.01 0.00 0.00 57.07 54.44 2i4t s TYR 160 Cb 0.15 -3.56 0.01 0.00 -0.11 0.00 0.00 41.96 38.45 2i4t s TYR 160 CO 0.78 -0.95 0.56 1.21 -1.11 0.00 0.00 175.55 176.03 2i4t s ASN 161 N 3.15 6.32 0.58 2.29 3.84 -1.24 -4.88 114.94 125.00 2i4t s ASN 161 Ca 0.04 -0.15 0.28 0.00 0.21 0.00 0.00 52.86 53.24 2i4t s ASN 161 Cb -0.28 -2.29 1.74 0.00 -0.55 0.00 0.00 41.25 39.87 2i4t s ASN 161 CO 0.03 -0.59 2.23 1.55 -2.79 0.00 0.00 177.10 177.53 2i4t h PRO 162 N 8.60 0.00 -5.35 0.43 0.13 -1.96 -3.33 132.00 130.52 2i4t h PRO 162 Ca -0.27 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.19 2i4t h PRO 162 Cb 1.11 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.10 2i4t h PRO 162 CO 0.82 0.01 1.23 -0.65 -0.23 0.00 0.00 178.00 179.18 2i4t s GLN 163 N -4.63 3.72 0.47 0.86 -0.21 -1.26 -4.82 119.66 113.79 2i4t s GLN 163 Ca -0.05 -1.75 0.26 0.00 0.02 0.00 0.00 55.36 53.85 2i4t s GLN 163 Cb 0.15 -5.12 0.70 0.00 1.00 0.00 0.00 33.01 29.74 2i4t s GLN 163 CO 0.56 -1.93 1.74 1.79 -2.12 0.00 0.00 175.29 175.33 2i4t h THR 164 N 5.87 0.06 0.00 -0.19 1.35 -2.02 -3.16 112.91 114.83 2i4t h THR 164 Ca 0.22 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2i4t h THR 164 Cb 0.98 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2i4t h THR 164 CO 1.25 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 175.93 2i4t n GLU 165 N -3.11 0.65 0.05 4.72 4.71 -1.26 -3.95 120.64 122.44 2i4t n GLU 165 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.98 2i4t n GLU 165 Cb 0.46 -1.45 -0.14 0.00 -1.01 0.00 0.00 31.44 29.29 2i4t n GLU 165 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2i4t h LEU 166 N 0.00 0.45 -0.21 -4.62 5.85 -1.97 -3.10 115.31 111.70 2i4t h LEU 166 Ca 0.00 -0.74 0.06 0.00 0.84 0.00 0.00 57.88 58.04 2i4t h LEU 166 Cb 0.00 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 2i4t h LEU 166 CO 0.00 1.63 -0.27 0.00 -0.34 0.00 0.00 178.44 179.47 2i4t h ALA 167 N 0.30 -0.21 -0.75 1.25 0.00 -1.82 0.63 119.26 118.66 2i4t h ALA 167 Ca -0.33 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2i4t h ALA 167 Cb 2.05 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 20.32 2i4t h ALA 167 CO 0.14 -0.71 0.45 0.37 0.00 0.00 0.00 179.25 179.50 2i4t h GLN 168 N -0.29 0.80 -0.41 0.00 5.75 -1.83 -0.14 115.11 118.98 2i4t h GLN 168 Ca 0.12 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 2i4t h GLN 168 Cb 0.49 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2i4t h GLN 168 CO -0.37 0.53 -0.11 1.25 -2.65 0.00 0.00 178.83 177.48 2i4t h LEU 169 N 0.83 0.81 -1.35 -2.39 6.46 -1.26 0.22 115.31 118.63 2i4t h LEU 169 Ca 0.33 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2i4t h LEU 169 Cb 0.16 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 2i4t h LEU 169 CO -0.17 0.99 0.47 0.24 -0.62 0.00 0.00 178.44 179.35 2i4t h MET 170 N 0.62 0.80 0.43 1.25 2.86 -0.70 -2.29 114.93 117.90 2i4t h MET 170 Ca 0.10 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2i4t h MET 170 Cb 0.64 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2i4t h MET 170 CO 0.04 0.53 -0.21 -0.97 1.06 0.00 0.00 176.91 177.37 2i4t h ASN 171 N 0.83 -0.49 -1.48 1.22 -1.24 0.38 -1.20 115.58 113.59 2i4t h ASN 171 Ca 0.29 -0.07 0.44 0.00 0.71 0.00 0.00 56.30 57.67 2i4t h ASN 171 Cb 0.12 0.13 -0.08 0.00 0.73 0.00 0.00 38.32 39.22 2i4t h ASN 171 CO -0.09 -0.21 1.04 0.50 -1.29 0.00 0.00 177.43 177.38 2i4t h LYS 172 N -0.76 0.05 -0.54 6.67 3.64 -0.17 0.22 116.57 125.68 2i4t h LYS 172 Ca -0.06 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2i4t h LYS 172 Cb 0.53 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2i4t h LYS 172 CO 0.10 0.03 0.04 1.19 -2.27 0.00 0.00 179.45 178.54 2i4t n PHE 173 N -4.23 1.91 -3.35 1.91 3.72 -0.90 -4.94 117.46 111.58 2i4t n PHE 173 Ca 0.35 -0.84 -0.23 0.00 -0.05 0.00 0.00 57.45 56.67 2i4t n PHE 173 Cb 1.53 -0.50 -0.00 0.00 -0.94 0.00 0.00 39.48 39.56 2i4t n PHE 173 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2i4t n HIS 174 N 0.26 -1.80 -1.71 1.38 8.25 0.76 -4.95 115.22 117.41 2i4t n HIS 174 Ca 0.29 0.48 -0.43 0.00 -0.26 0.00 0.00 57.72 57.80 2i4t n HIS 174 Cb 1.17 -3.07 -0.02 0.00 1.12 0.00 0.00 29.99 29.19 2i4t n HIS 174 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2i4t n PHE 175 N -3.99 2.57 -0.03 4.41 3.01 -0.49 -4.67 117.46 118.27 2i4t n PHE 175 Ca -0.02 0.33 -0.13 0.00 1.01 0.00 0.00 57.45 58.64 2i4t n PHE 175 Cb 0.55 -2.54 -0.11 0.00 -0.01 0.00 0.00 39.48 37.37 2i4t n PHE 175 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2i4t h LEU 176 N 4.49 0.06 -7.47 4.37 4.07 -1.06 -3.22 115.31 116.54 2i4t h LEU 176 Ca -0.46 -0.63 0.19 0.00 0.08 0.00 0.00 57.88 57.06 2i4t h LEU 176 Cb 1.25 -0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.87 2i4t h LEU 176 CO 0.77 0.68 0.54 0.00 -1.08 0.00 0.00 178.44 179.35 2i4t s ALA 177 N -3.70 -1.78 -0.03 1.53 0.00 -1.24 -1.29 121.76 115.25 2i4t s ALA 177 Ca -0.16 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.26 2i4t s ALA 177 Cb 0.01 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2i4t s ALA 177 CO 0.69 -0.97 -0.25 0.08 0.00 0.00 0.00 175.76 175.31 2i4t s VAL 178 N -3.11 1.96 0.00 0.00 1.01 0.06 -1.69 120.40 118.63 2i4t s VAL 178 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2i4t s VAL 178 Cb -0.00 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2i4t s VAL 178 CO -0.01 0.55 0.00 -1.84 0.00 0.00 0.00 175.10 173.80 2i4t n GLU 179 N 2.63 0.00 -0.54 2.72 -0.00 -0.83 -0.46 120.64 124.16 2i4t n GLU 179 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 2i4t n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2i4t n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2i4t n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -1.41 117.12 120.70 2i4t n MET 180 Ca 0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 2i4t n MET 180 Cb 0.00 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 2i4t n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2i4t n GLU 181 N 0.02 1.63 -0.22 0.03 4.71 -1.26 -1.63 120.64 123.92 2i4t n GLU 181 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2i4t n GLU 181 Cb 0.70 -0.58 0.03 0.00 -1.01 0.00 0.00 31.44 30.58 2i4t n GLU 181 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2i4t h SER 182 N 0.00 0.93 -0.04 1.62 0.02 -1.96 -0.77 113.55 113.36 2i4t h SER 182 Ca 0.00 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2i4t h SER 182 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2i4t h SER 182 CO 0.00 0.92 0.05 0.00 -1.14 0.00 0.00 176.83 176.66 2i4t h ALA 183 N 1.05 1.49 -0.02 3.77 0.00 -1.84 -0.09 119.26 123.61 2i4t h ALA 183 Ca 0.20 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 2i4t h ALA 183 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2i4t h ALA 183 CO 0.00 -0.07 -1.01 0.78 0.00 0.00 0.00 179.25 178.95 2i4t h GLY 184 N 0.00 0.80 0.59 0.00 0.00 -1.49 -3.39 103.07 99.58 2i4t h GLY 184 Ca 0.02 -1.37 -0.01 0.00 0.00 0.00 0.00 47.33 45.97 2i4t h GLY 184 CO -0.00 1.21 -0.10 -2.00 0.00 0.00 0.00 176.54 175.65 2i4t h LEU 185 N 0.42 -0.24 -0.79 3.11 6.46 -0.79 -3.32 115.31 120.15 2i4t h LEU 185 Ca -0.12 -0.26 0.04 0.00 -0.12 0.00 0.00 57.88 57.43 2i4t h LEU 185 Cb 1.66 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 41.60 2i4t h LEU 185 CO 0.20 0.17 0.49 -0.26 -0.62 0.00 0.00 178.44 178.42 2i4t h PHE 186 N -0.70 0.91 0.00 1.25 0.05 -1.55 -0.25 116.94 116.65 2i4t h PHE 186 Ca -0.03 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.72 2i4t h PHE 186 Cb 0.49 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 38.13 2i4t h PHE 186 CO 0.04 0.50 -0.33 -1.35 -0.18 0.00 0.00 178.31 176.99 2i4t h PRO 187 N 0.93 0.00 -0.15 1.51 0.11 -1.77 -1.38 132.00 131.25 2i4t h PRO 187 Ca 0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 2i4t h PRO 187 Cb 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 2i4t h PRO 187 CO -0.14 0.33 -0.03 0.82 -0.21 0.00 0.00 178.00 178.77 2i4t h ILE 188 N 0.00 1.29 -0.39 4.15 2.04 -1.19 -0.17 117.51 123.24 2i4t h ILE 188 Ca -0.00 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 64.96 2i4t h ILE 188 Cb 1.00 1.63 -0.09 0.00 -0.74 0.00 0.00 36.82 38.62 2i4t h ILE 188 CO 0.04 0.28 -0.38 0.00 0.00 0.00 0.00 178.15 178.10 2i4t h ALA 189 N 0.71 -0.31 -0.57 1.87 0.00 -1.00 -0.12 119.26 119.84 2i4t h ALA 189 Ca 0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2i4t h ALA 189 Cb 0.45 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2i4t h ALA 189 CO 0.01 -0.80 0.21 -0.44 0.00 0.00 0.00 179.25 178.24 2i4t h ASP 190 N -0.30 0.22 -0.25 0.00 3.32 -1.12 -0.09 116.42 118.20 2i4t h ASP 190 Ca 0.15 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2i4t h ASP 190 Cb 0.57 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2i4t h ASP 190 CO -0.55 0.14 0.17 0.25 -1.72 0.00 0.00 179.24 177.53 2i4t h LEU 191 N 0.40 0.26 -3.84 1.55 5.85 0.71 -2.01 115.31 118.23 2i4t h LEU 191 Ca 0.28 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.67 2i4t h LEU 191 Cb 0.32 -0.06 -0.19 0.00 0.37 0.00 0.00 40.66 41.09 2i4t h LEU 191 CO -0.28 0.18 0.41 -1.22 -0.34 0.00 0.00 178.44 177.20 2i4t n TYR 192 N -4.50 2.71 -3.64 1.25 4.01 -0.39 -4.91 117.16 111.69 2i4t n TYR 192 Ca 0.01 -1.43 -0.28 0.00 -0.16 0.00 0.00 57.90 56.04 2i4t n TYR 192 Cb 0.10 -0.79 -0.05 0.00 -0.31 0.00 0.00 39.34 38.29 2i4t n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i4t n GLY 193 N -0.49 -0.35 0.00 2.72 0.00 -0.75 -4.96 105.19 101.36 2i4t n GLY 193 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2i4t n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4t n ALA 194 N -3.16 0.00 -2.60 4.61 0.00 -0.11 -5.01 120.51 114.23 2i4t n ALA 194 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 2i4t n ALA 194 Cb 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 2i4t n ALA 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i4t s ARG 195 N 2.02 0.44 0.08 0.00 0.52 -0.56 -4.42 118.95 117.03 2i4t s ARG 195 Ca 0.00 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 2i4t s ARG 195 Cb 0.00 0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.63 2i4t s ARG 195 CO 0.00 -0.07 0.26 0.00 0.02 0.00 0.00 175.30 175.51 2i4t s ALA 196 N -2.51 -0.49 0.37 2.13 0.00 -1.26 -1.69 121.76 118.31 2i4t s ALA 196 Ca -0.06 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 2i4t s ALA 196 Cb -0.02 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.62 2i4t s ALA 196 CO -0.05 -0.51 0.74 0.20 0.00 0.00 0.00 175.76 176.15 2i4t s GLY 197 N -2.61 0.46 -0.02 0.00 0.00 -0.47 -1.46 107.32 103.22 2i4t s GLY 197 Ca 0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 2i4t s GLY 197 CO -0.09 -0.38 0.20 0.00 0.00 0.00 0.00 173.10 172.83 2i4t n ILE 199 N 1.65 0.00 0.00 0.00 -5.35 0.12 -2.90 119.36 112.88 2i4t n ILE 199 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2i4t n ILE 199 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 2i4t n ILE 199 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i4t s THR 201 N 0.00 -0.10 -0.48 0.00 -1.32 -1.02 -2.66 115.64 110.07 2i4t s THR 201 Ca 0.00 0.16 -0.28 0.00 -1.21 0.00 0.00 61.69 60.36 2i4t s THR 201 Cb 0.00 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 2i4t s THR 201 CO 0.00 0.07 1.42 -0.69 -2.21 0.00 0.00 174.62 173.21 2i4t s VAL 202 N 1.46 3.84 -0.45 5.08 1.01 -0.93 -2.23 120.40 128.18 2i4t s VAL 202 Ca -0.08 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2i4t s VAL 202 Cb -0.10 -4.29 0.49 0.00 0.00 0.00 0.00 36.38 32.47 2i4t s VAL 202 CO -0.09 -0.93 1.66 -1.54 0.00 0.00 0.00 175.10 174.19 2i4t n SER 203 N 9.24 5.23 0.00 3.32 3.41 -1.03 -4.51 113.62 129.28 2i4t n SER 203 Ca 0.15 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.00 2i4t n SER 203 Cb 0.49 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2i4t n SER 203 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2i4t n ASP 204 N -0.94 0.00 -4.33 4.04 5.68 -1.26 -4.96 116.55 114.79 2i4t n ASP 204 Ca 0.50 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.45 2i4t n ASP 204 Cb 0.96 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.80 2i4t n ASP 204 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2i4t s HIS 205 N -1.87 2.95 -1.66 2.11 5.65 -1.26 -1.47 115.29 119.75 2i4t s HIS 205 Ca 0.00 -0.87 0.00 0.00 0.25 0.00 0.00 55.06 54.44 2i4t s HIS 205 Cb 0.00 -2.08 0.00 0.00 -1.18 0.00 0.00 32.58 29.32 2i4t s HIS 205 CO 0.00 -0.49 0.73 0.44 -0.65 0.00 0.00 174.74 174.77 2i4t n ILE 206 N 4.65 0.00 -0.11 0.89 -5.35 -0.32 -2.93 119.36 116.18 2i4t n ILE 206 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2i4t n ILE 206 Cb 0.51 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2i4t n ILE 206 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2i4t n LEU 207 N -0.31 0.71 0.00 7.28 4.77 -1.26 -5.02 117.00 123.17 2i4t n LEU 207 Ca 0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 2i4t n LEU 207 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2i4t n LEU 207 CO 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 2i4t n HIS 208 N -0.15 -0.13 0.00 -1.77 1.44 -1.15 -5.18 115.22 108.28 2i4t n HIS 208 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2i4t n HIS 208 Cb 0.03 0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.16 2i4t n HIS 208 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2i4t n ASN 219 N -1.86 0.00 -0.36 4.39 4.13 -1.26 -4.12 115.26 116.18 2i4t n ASN 219 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 2i4t n ASN 219 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 2i4t n ASN 219 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2i4t h SER 220 N 0.00 -1.80 -0.82 6.41 0.02 -1.98 1.75 113.55 117.12 2i4t h SER 220 Ca 0.00 0.31 0.20 0.00 -0.84 0.00 0.00 61.79 61.46 2i4t h SER 220 Cb 0.00 0.84 -0.14 0.00 0.14 0.00 0.00 62.40 63.24 2i4t h SER 220 CO 0.00 -0.28 0.10 0.15 -1.14 0.00 0.00 176.83 175.66 2i4t h PHE 221 N -0.06 0.11 0.22 3.45 3.04 -1.99 0.89 116.94 122.60 2i4t h PHE 221 Ca 0.22 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.21 2i4t h PHE 221 Cb 0.51 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.10 2i4t h PHE 221 CO -0.91 -0.24 -0.11 1.96 -2.02 0.00 0.00 178.31 177.00 2i4t h GLN 222 N 0.14 -0.29 -0.47 1.11 4.20 0.20 -1.88 115.11 118.13 2i4t h GLN 222 Ca 0.48 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.29 2i4t h GLN 222 Cb 0.90 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.67 2i4t h GLN 222 CO -0.68 -0.04 0.04 -0.91 -0.67 0.00 0.00 178.83 176.58 2i4t h ASN 223 N -0.51 -0.11 -0.70 1.46 -0.26 -0.11 -1.89 115.58 113.47 2i4t h ASN 223 Ca -0.03 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 2i4t h ASN 223 Cb 0.38 0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 2i4t h ASN 223 CO 0.05 -0.02 0.40 -0.03 -1.06 0.00 0.00 177.43 176.76 2i4t h MET 224 N 0.16 0.99 0.00 0.81 4.05 -0.72 -1.70 114.93 118.52 2i4t h MET 224 Ca 0.24 -0.10 -0.12 0.00 -0.28 0.00 0.00 59.70 59.44 2i4t h MET 224 Cb 0.34 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2i4t h MET 224 CO -0.36 0.72 -0.56 0.52 0.23 0.00 0.00 176.91 177.47 2i4t h MET 225 N 1.00 0.00 0.01 0.39 2.86 -0.84 -0.69 114.93 117.66 2i4t h MET 225 Ca 0.25 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.75 2i4t h MET 225 Cb 0.02 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.69 2i4t h MET 225 CO -0.04 0.56 -0.58 -0.22 1.06 0.00 0.00 176.91 177.68 2i4t h LYS 226 N 0.00 0.38 -0.14 1.72 3.64 -0.77 0.01 116.57 121.41 2i4t h LYS 226 Ca -0.01 -0.42 0.02 0.00 -1.27 0.00 0.00 60.65 58.98 2i4t h LYS 226 Cb 1.17 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2i4t h LYS 226 CO 0.07 1.10 -0.02 0.82 -2.27 0.00 0.00 179.45 179.15 2i4t h ILE 227 N -0.17 0.88 -0.42 2.00 2.04 -1.32 0.84 117.51 121.37 2i4t h ILE 227 Ca -0.08 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2i4t h ILE 227 Cb 1.31 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2i4t h ILE 227 CO 0.11 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.52 2i4t h ALA 228 N 1.13 0.54 -0.06 1.87 0.00 -1.09 0.09 119.26 121.73 2i4t h ALA 228 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2i4t h ALA 228 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2i4t h ALA 228 CO -0.12 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.09 2i4t h LEU 229 N 0.55 0.11 -0.77 0.00 3.38 -0.68 0.24 115.31 118.14 2i4t h LEU 229 Ca 0.15 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 57.99 2i4t h LEU 229 Cb 0.00 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 2i4t h LEU 229 CO -0.03 0.37 0.26 -0.33 0.09 0.00 0.00 178.44 178.80 2i4t h GLU 230 N -0.16 0.34 -0.20 1.13 4.39 0.80 -2.24 114.58 118.64 2i4t h GLU 230 Ca 0.02 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2i4t h GLU 230 Cb 0.31 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2i4t h GLU 230 CO 0.00 0.23 -0.04 0.00 -1.16 0.00 0.00 179.01 178.04 2i4t h ALA 231 N 1.61 0.28 -0.93 3.43 0.00 -0.54 -2.32 119.26 120.79 2i4t h ALA 231 Ca 0.44 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 55.28 2i4t h ALA 231 Cb 0.74 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 2i4t h ALA 231 CO -0.48 0.05 -0.27 0.00 0.00 0.00 0.00 179.25 178.56 2i4t h ALA 232 N 0.74 0.50 0.01 0.00 0.00 -0.07 -1.34 119.26 119.09 2i4t h ALA 232 Ca 0.05 0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.32 2i4t h ALA 232 Cb 0.48 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2i4t h ALA 232 CO 0.02 -0.45 -0.45 0.82 0.00 0.00 0.00 179.25 179.19 2i4t h ILE 233 N -0.01 0.00 -0.65 0.00 1.08 -0.85 -2.29 117.51 114.79 2i4t h ILE 233 Ca 0.42 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 65.03 2i4t h ILE 233 Cb 0.66 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.30 2i4t h ILE 233 CO -0.95 0.00 -0.03 0.11 -0.69 0.00 0.00 178.15 176.59 2i4t h LYS 234 N -0.57 0.09 0.00 2.37 1.57 -1.25 -3.53 116.57 115.25 2i4t h LYS 234 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i4t h LYS 234 Cb 0.61 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2i4t h LYS 234 CO -0.30 0.06 0.00 1.28 -0.57 0.00 0.00 179.45 179.92