#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6a s VAL 4 N 0.00 1.58 0.95 -3.33 -7.23 -1.26 -5.14 120.40 105.97 2i6a s VAL 4 Ca 0.00 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 2i6a s VAL 4 Cb 0.00 -1.34 0.22 0.00 0.56 0.00 0.00 36.38 35.82 2i6a s VAL 4 CO 0.00 0.34 1.30 0.54 -0.31 0.00 0.00 175.10 176.97 2i6a n ARG 5 N 2.30 -1.19 -2.36 4.82 3.00 -1.26 -4.61 116.66 117.37 2i6a n ARG 5 Ca -0.16 -2.12 -0.38 0.00 -0.01 0.00 0.00 57.85 55.19 2i6a n ARG 5 Cb 0.53 -1.30 -0.02 0.00 0.00 0.00 0.00 32.46 31.67 2i6a n ARG 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2i6a s GLU 6 N -5.83 4.03 -0.95 5.56 -1.05 -1.26 -3.36 118.70 115.84 2i6a s GLU 6 Ca 0.74 1.73 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 2i6a s GLU 6 Cb -0.02 -2.59 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 2i6a s GLU 6 CO 0.52 -0.31 0.00 0.09 0.95 0.00 0.00 175.26 176.51 2i6a n ASN 7 N -0.07 -3.77 0.24 0.83 4.13 0.02 -4.88 115.26 111.76 2i6a n ASN 7 Ca 0.05 0.12 0.15 0.00 1.68 0.00 0.00 54.58 56.58 2i6a n ASN 7 Cb 0.48 -2.58 0.45 0.00 -1.54 0.00 0.00 39.78 36.59 2i6a n ASN 7 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2i6a h ILE 8 N 0.00 0.00 -3.91 2.41 2.10 -1.05 -2.47 117.51 114.58 2i6a h ILE 8 Ca -0.22 -0.70 -0.69 0.00 1.08 0.00 0.00 64.86 64.34 2i6a h ILE 8 Cb 0.90 1.68 -0.32 0.00 -1.09 0.00 0.00 36.82 38.00 2i6a h ILE 8 CO 0.29 0.00 -0.88 -0.22 -1.08 0.00 0.00 178.15 176.25 2i6a s LEU 9 N -6.03 2.07 -0.06 2.19 0.20 -0.87 -0.12 118.68 116.07 2i6a s LEU 9 Ca 0.04 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.39 2i6a s LEU 9 Cb 0.07 -1.37 -0.00 0.00 -0.43 0.00 0.00 46.19 44.46 2i6a s LEU 9 CO 0.59 0.23 -0.18 0.12 -0.29 0.00 0.00 176.35 176.82 2i6a s PHE 10 N -0.09 1.82 0.05 5.38 2.19 0.01 -0.66 117.98 126.68 2i6a s PHE 10 Ca -0.06 -0.58 -0.01 0.00 0.33 0.00 0.00 56.93 56.61 2i6a s PHE 10 Cb -0.14 -1.24 -0.04 0.00 -1.31 0.00 0.00 43.02 40.29 2i6a s PHE 10 CO 0.04 -0.22 -0.02 0.20 1.83 0.00 0.00 175.22 177.05 2i6a s GLY 11 N 0.18 0.42 0.10 13.12 0.00 -0.37 0.21 107.32 120.98 2i6a s GLY 11 Ca -0.08 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 43.46 2i6a s GLY 11 CO 0.03 -1.20 0.23 -3.16 0.00 0.00 0.00 173.10 169.01 2i6a s MET 12 N -3.53 0.91 0.00 2.90 0.23 -1.19 -2.37 119.30 116.26 2i6a s MET 12 Ca 0.03 -0.95 0.00 0.00 -1.03 0.00 0.00 55.69 53.74 2i6a s MET 12 Cb 0.05 0.36 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 2i6a s MET 12 CO -0.09 -0.31 0.00 0.41 -2.03 0.00 0.00 175.02 173.01 2i6a n GLY 13 N -0.10 -0.57 3.39 3.16 0.00 -1.00 -4.33 105.19 105.75 2i6a n GLY 13 Ca -0.14 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 2i6a n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i6a s ASN 14 N -4.00 6.17 -0.36 1.61 0.01 -1.26 -4.54 114.94 112.57 2i6a s ASN 14 Ca 0.00 -1.28 -0.29 0.00 -0.71 0.00 0.00 52.86 50.58 2i6a s ASN 14 Cb 0.00 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.45 2i6a s ASN 14 CO 0.00 -0.73 1.45 -2.16 -1.51 0.00 0.00 177.10 174.15 2i6a s PRO 15 N 1.89 3.64 0.18 -0.60 0.05 -1.26 -4.02 135.00 134.87 2i6a s PRO 15 Ca 0.07 1.12 0.09 0.00 0.05 0.00 0.00 61.00 62.33 2i6a s PRO 15 Cb -0.24 -4.02 -0.04 0.00 0.05 0.00 0.00 34.50 30.26 2i6a s PRO 15 CO 0.07 -1.48 -0.20 -0.51 0.05 0.00 0.00 177.00 174.93 2i6a s LEU 16 N 5.35 2.44 -0.24 -3.56 1.43 -1.23 -4.27 118.68 118.59 2i6a s LEU 16 Ca 0.63 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 2i6a s LEU 16 Cb -0.16 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2i6a s LEU 16 CO 0.30 0.01 0.11 -0.22 0.23 0.00 0.00 176.35 176.78 2i6a s LEU 17 N -2.68 3.70 -0.02 1.79 2.96 -0.82 0.74 118.68 124.35 2i6a s LEU 17 Ca 0.17 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2i6a s LEU 17 Cb -0.06 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2i6a s LEU 17 CO 0.08 0.01 0.98 -1.81 -1.32 0.00 0.00 176.35 174.28 2i6a s ASP 18 N 1.39 7.33 -0.28 3.68 1.01 0.20 -1.27 116.67 128.73 2i6a s ASP 18 Ca 0.06 1.62 0.03 0.00 0.71 0.00 0.00 52.55 54.96 2i6a s ASP 18 Cb -0.15 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.29 2i6a s ASP 18 CO 0.05 -0.30 -0.06 -0.63 0.21 0.00 0.00 175.17 174.44 2i6a s ILE 19 N 1.23 2.30 0.15 0.77 1.01 -0.16 -1.20 121.20 125.30 2i6a s ILE 19 Ca 0.51 -1.74 0.08 0.00 0.00 0.00 0.00 60.65 59.50 2i6a s ILE 19 Cb -0.20 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2i6a s ILE 19 CO 0.26 -0.15 -0.17 -0.94 0.00 0.00 0.00 174.94 173.94 2i6a s SER 20 N 1.10 2.45 -0.22 3.58 1.04 -0.91 -0.40 113.70 120.34 2i6a s SER 20 Ca -0.05 -0.83 -0.28 0.00 0.48 0.00 0.00 55.95 55.26 2i6a s SER 20 Cb -0.20 -0.13 0.14 0.00 0.10 0.00 0.00 66.02 65.94 2i6a s SER 20 CO -0.05 -0.06 1.10 0.00 0.98 0.00 0.00 173.24 175.21 2i6a s ALA 21 N -2.02 -2.00 0.25 5.32 0.00 -1.07 0.37 121.76 122.61 2i6a s ALA 21 Ca 0.13 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 2i6a s ALA 21 Cb -0.06 -1.10 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 2i6a s ALA 21 CO 0.05 -0.26 1.11 0.08 0.00 0.00 0.00 175.76 176.74 2i6a s VAL 22 N -0.70 3.57 0.00 0.00 1.01 -1.26 -1.91 120.40 121.11 2i6a s VAL 22 Ca 0.02 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2i6a s VAL 22 Cb -0.02 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2i6a s VAL 22 CO -0.03 0.33 0.00 1.33 0.00 0.00 0.00 175.10 176.73 2i6a n VAL 23 N 1.53 0.00 -4.31 2.92 0.24 0.97 -4.72 118.33 114.95 2i6a n VAL 23 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 2i6a n VAL 23 Cb 0.45 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.71 2i6a n VAL 23 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2i6a s ASP 24 N -0.88 2.51 0.55 -1.34 -4.77 -1.26 -4.64 116.67 106.83 2i6a s ASP 24 Ca 0.00 -0.87 0.24 0.00 -3.30 0.00 0.00 52.55 48.62 2i6a s ASP 24 Cb 0.00 -0.13 1.31 0.00 -1.09 0.00 0.00 42.92 43.01 2i6a s ASP 24 CO 0.00 -0.08 1.71 0.50 0.70 0.00 0.00 175.17 178.00 2i6a h LYS 25 N 3.24 0.00 0.04 2.11 3.64 -1.99 0.27 116.57 123.87 2i6a h LYS 25 Ca -0.41 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.74 2i6a h LYS 25 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2i6a h LYS 25 CO 0.52 0.00 -1.02 -0.44 -2.27 0.00 0.00 179.45 176.24 2i6a h ASP 26 N 0.00 0.25 -0.31 4.20 3.45 -1.99 -2.39 116.42 119.63 2i6a h ASP 26 Ca 0.00 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.14 2i6a h ASP 26 Cb 0.63 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 2i6a h ASP 26 CO 0.00 1.11 -0.15 0.15 -1.57 0.00 0.00 179.24 178.78 2i6a h PHE 27 N 0.07 0.76 0.11 4.55 3.57 -0.88 -1.96 116.94 123.15 2i6a h PHE 27 Ca -0.06 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.26 2i6a h PHE 27 Cb 1.71 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 2i6a h PHE 27 CO 0.03 0.88 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.80 2i6a h LEU 28 N 0.42 -0.33 -0.78 0.59 3.38 -1.45 -2.86 115.31 114.29 2i6a h LEU 28 Ca 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2i6a h LEU 28 Cb 0.68 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2i6a h LEU 28 CO 0.05 -0.19 0.36 0.44 0.09 0.00 0.00 178.44 179.18 2i6a h ASP 29 N -0.27 1.03 -0.98 -0.43 3.32 -1.47 0.13 116.42 117.76 2i6a h ASP 29 Ca 0.01 -0.15 0.20 0.00 0.02 0.00 0.00 57.03 57.12 2i6a h ASP 29 Cb 0.26 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 39.45 2i6a h ASP 29 CO -0.04 0.89 0.62 0.11 -1.72 0.00 0.00 179.24 179.10 2i6a h LYS 30 N 1.11 0.59 -0.44 3.56 6.56 -1.12 -0.31 116.57 126.52 2i6a h LYS 30 Ca 0.27 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2i6a h LYS 30 Cb 0.15 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2i6a h LYS 30 CO -0.03 0.39 0.00 0.66 -2.06 0.00 0.00 179.45 178.41 2i6a n TYR 31 N -4.66 0.67 -3.52 -1.35 4.02 -0.97 -4.99 117.16 106.35 2i6a n TYR 31 Ca 0.22 -0.53 -0.20 0.00 -0.01 0.00 0.00 57.90 57.38 2i6a n TYR 31 Cb 0.65 -0.05 0.02 0.00 -0.02 0.00 0.00 39.34 39.94 2i6a n TYR 31 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2i6a n SER 32 N 0.73 -5.97 -4.37 7.72 7.64 -0.13 -4.99 113.62 114.25 2i6a n SER 32 Ca 0.16 -0.73 -0.31 0.00 1.01 0.00 0.00 58.87 59.00 2i6a n SER 32 Cb 0.53 -3.59 -0.15 0.00 -1.01 0.00 0.00 64.21 59.99 2i6a n SER 32 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2i6a s LEU 33 N -5.38 2.27 0.03 -3.43 1.43 0.27 -5.00 118.68 108.87 2i6a s LEU 33 Ca 0.23 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 2i6a s LEU 33 Cb -0.08 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 2i6a s LEU 33 CO 0.83 0.29 0.61 -0.54 0.23 0.00 0.00 176.35 177.78 2i6a s LYS 34 N -0.96 4.31 0.33 1.70 1.02 -1.26 -4.58 119.74 120.30 2i6a s LYS 34 Ca 0.12 0.78 0.10 0.00 0.02 0.00 0.00 55.97 56.98 2i6a s LYS 34 Cb -0.10 -3.31 0.97 0.00 -0.52 0.00 0.00 37.83 34.86 2i6a s LYS 34 CO 0.01 0.44 1.61 -1.35 -0.92 0.00 0.00 175.35 175.14 2i6a h PRO 35 N 5.31 0.12 -4.40 -1.68 0.10 -1.96 -3.31 132.00 126.18 2i6a h PRO 35 Ca -0.46 -0.01 -0.60 0.00 0.10 0.00 0.00 66.00 65.03 2i6a h PRO 35 Cb 1.20 -0.03 -0.38 0.00 0.10 0.00 0.00 31.00 31.90 2i6a h PRO 35 CO 0.68 0.08 -0.80 1.21 0.10 0.00 0.00 178.00 179.28 2i6a s ASN 36 N -4.88 3.53 0.11 -2.05 2.47 -1.23 -2.38 114.94 110.52 2i6a s ASN 36 Ca -0.11 -1.00 -0.26 0.00 0.42 0.00 0.00 52.86 51.91 2i6a s ASN 36 Cb 0.30 -1.16 0.08 0.00 -1.45 0.00 0.00 41.25 39.02 2i6a s ASN 36 CO 0.78 -0.20 1.06 -0.62 -3.72 0.00 0.00 177.10 174.41 2i6a s ASP 37 N 1.43 -0.12 -0.19 -4.21 2.15 -0.62 -4.94 116.67 110.18 2i6a s ASP 37 Ca -0.03 -0.37 -0.05 0.00 0.43 0.00 0.00 52.55 52.53 2i6a s ASP 37 Cb -0.17 0.40 0.07 0.00 -0.30 0.00 0.00 42.92 42.92 2i6a s ASP 37 CO -0.07 -0.75 0.11 -1.10 -0.17 0.00 0.00 175.17 173.19 2i6a s GLN 38 N -2.89 0.09 0.12 4.34 -0.21 -1.25 -0.40 119.66 119.45 2i6a s GLN 38 Ca 0.14 -0.13 -0.00 0.00 0.02 0.00 0.00 55.36 55.40 2i6a s GLN 38 Cb 0.00 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.30 2i6a s GLN 38 CO 0.01 -0.72 0.01 0.96 -2.12 0.00 0.00 175.29 173.42 2i6a s ILE 39 N 2.15 0.34 -0.14 1.08 -4.36 0.13 -4.78 121.20 115.62 2i6a s ILE 39 Ca 0.03 -1.90 -0.18 0.00 -0.26 0.00 0.00 60.65 58.34 2i6a s ILE 39 Cb -0.16 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2i6a s ILE 39 CO -0.14 -0.66 0.46 -0.76 0.24 0.00 0.00 174.94 174.09 2i6a s LEU 40 N -3.04 4.24 0.08 0.37 1.43 -1.26 -0.70 118.68 119.80 2i6a s LEU 40 Ca 0.18 0.75 -0.34 0.00 -1.03 0.00 0.00 54.13 53.69 2i6a s LEU 40 Cb 0.07 -2.66 -0.13 0.00 0.03 0.00 0.00 46.19 43.50 2i6a s LEU 40 CO -0.02 -0.03 1.66 0.00 0.23 0.00 0.00 176.35 178.20 2i6a n ALA 41 N 3.90 1.13 -1.58 4.21 0.00 -0.81 -4.86 120.51 122.50 2i6a n ALA 41 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2i6a n ALA 41 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2i6a n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i6a n GLU 42 N 4.33 2.55 -0.08 0.00 -0.58 -1.26 -4.95 120.64 120.65 2i6a n GLU 42 Ca 0.19 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.85 2i6a n GLU 42 Cb 0.29 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.03 2i6a n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2i6a n ASP 43 N 0.00 1.08 0.00 1.62 8.00 -1.26 -4.20 116.55 121.80 2i6a n ASP 43 Ca 0.00 -0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.53 2i6a n ASP 43 Cb 0.00 0.88 0.16 0.00 -0.02 0.00 0.00 41.12 42.14 2i6a n ASP 43 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2i6a n LYS 44 N -2.60 0.01 -0.00 -1.24 2.85 -1.26 -2.81 118.16 113.11 2i6a n LYS 44 Ca -0.26 0.36 0.10 0.00 -1.05 0.00 0.00 58.31 57.46 2i6a n LYS 44 Cb 1.02 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.76 2i6a n LYS 44 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2i6a n HIS 45 N -1.49 0.00 -0.34 5.58 8.25 -1.26 -4.51 115.22 121.45 2i6a n HIS 45 Ca 0.02 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.73 2i6a n HIS 45 Cb 0.09 -0.23 0.52 0.00 1.12 0.00 0.00 29.99 31.49 2i6a n HIS 45 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2i6a h LYS 46 N 0.00 0.34 -0.24 -0.41 1.57 -1.72 0.44 116.57 116.56 2i6a h LYS 46 Ca 0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2i6a h LYS 46 Cb 0.72 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2i6a h LYS 46 CO 0.00 0.23 -0.40 1.49 -0.57 0.00 0.00 179.45 180.20 2i6a h GLU 47 N 0.35 0.55 -0.79 3.15 4.81 -1.83 -3.26 114.58 117.56 2i6a h GLU 47 Ca 0.63 -0.28 0.18 0.00 -0.13 0.00 0.00 59.36 59.76 2i6a h GLU 47 Cb 1.65 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.92 2i6a h GLU 47 CO -0.32 0.86 0.26 1.25 -0.73 0.00 0.00 179.01 180.32 2i6a h LEU 48 N 0.46 0.15 -0.58 1.64 6.46 -1.18 -2.56 115.31 119.70 2i6a h LEU 48 Ca 0.04 0.15 -0.15 0.00 -0.12 0.00 0.00 57.88 57.79 2i6a h LEU 48 Cb 0.89 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 2i6a h LEU 48 CO 0.08 -0.01 -0.56 -0.26 -0.62 0.00 0.00 178.44 177.07 2i6a h PHE 49 N 0.34 0.57 0.26 1.25 0.04 -1.63 -1.88 116.94 115.90 2i6a h PHE 49 Ca 0.46 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 2i6a h PHE 49 Cb 0.81 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2i6a h PHE 49 CO -0.21 0.91 -0.13 -0.44 -0.60 0.00 0.00 178.31 177.84 2i6a h ASP 50 N 0.35 -0.30 0.32 2.17 3.32 -1.65 -3.23 116.42 117.40 2i6a h ASP 50 Ca 0.00 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 2i6a h ASP 50 Cb 1.08 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2i6a h ASP 50 CO 0.10 0.17 -0.22 1.05 -1.72 0.00 0.00 179.24 178.62 2i6a h GLU 51 N -0.90 0.00 0.11 3.56 4.11 -1.53 -1.93 114.58 118.01 2i6a h GLU 51 Ca -0.04 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.40 2i6a h GLU 51 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2i6a h GLU 51 CO 0.06 0.22 -0.15 1.25 0.07 0.00 0.00 179.01 180.47 2i6a h LEU 52 N 0.00 -0.39 -0.16 3.06 5.85 -1.41 0.67 115.31 122.92 2i6a h LEU 52 Ca -0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2i6a h LEU 52 Cb 0.44 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2i6a h LEU 52 CO 0.03 -0.22 0.07 0.58 -0.34 0.00 0.00 178.44 178.56 2i6a h VAL 53 N -0.30 1.15 -0.44 1.05 2.07 -1.53 -1.05 116.25 117.20 2i6a h VAL 53 Ca 0.01 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2i6a h VAL 53 Cb 0.30 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2i6a h VAL 53 CO -0.06 0.14 0.27 0.11 0.02 0.00 0.00 177.57 178.05 2i6a h LYS 54 N 0.12 0.59 0.00 1.57 1.57 -0.96 -3.33 116.57 116.12 2i6a h LYS 54 Ca 0.06 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 2i6a h LYS 54 Cb 0.16 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2i6a h LYS 54 CO -0.00 0.43 -1.46 0.87 -0.57 0.00 0.00 179.45 178.71 2i6a h LYS 55 N 0.58 0.00 -5.55 3.15 1.57 0.37 -3.49 116.57 113.19 2i6a h LYS 55 Ca 0.16 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.30 2i6a h LYS 55 Cb -0.02 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.17 2i6a h LYS 55 CO -0.03 0.58 -0.56 -0.06 -0.57 0.00 0.00 179.45 178.81 2i6a s PHE 56 N -2.68 2.32 -0.87 -1.35 0.40 -0.40 -5.07 117.98 110.33 2i6a s PHE 56 Ca -0.03 -0.75 -0.19 0.00 -0.60 0.00 0.00 56.93 55.37 2i6a s PHE 56 Cb 0.09 -1.75 0.13 0.00 0.51 0.00 0.00 43.02 41.99 2i6a s PHE 56 CO 0.82 0.35 1.06 0.15 0.70 0.00 0.00 175.22 178.30 2i6a s LYS 57 N -3.79 3.51 0.34 0.44 1.02 -1.26 -4.76 119.74 115.24 2i6a s LYS 57 Ca 0.27 -1.66 -0.10 0.00 0.02 0.00 0.00 55.97 54.50 2i6a s LYS 57 Cb 0.07 -4.77 -0.07 0.00 -0.52 0.00 0.00 37.83 32.54 2i6a s LYS 57 CO 0.14 -1.74 0.69 0.54 -0.92 0.00 0.00 175.35 174.07 2i6a s VAL 58 N 2.72 4.83 0.34 3.17 0.11 -1.26 -4.47 120.40 125.83 2i6a s VAL 58 Ca 0.29 0.57 0.09 0.00 -2.93 0.00 0.00 61.98 60.00 2i6a s VAL 58 Cb -0.08 -3.69 -0.06 0.00 -1.53 0.00 0.00 36.38 31.02 2i6a s VAL 58 CO -0.06 -0.35 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.66 2i6a s GLU 59 N -3.47 1.80 -0.03 1.54 2.02 0.16 -4.93 118.70 115.79 2i6a s GLU 59 Ca 0.50 -1.93 0.05 0.00 0.02 0.00 0.00 54.97 53.60 2i6a s GLU 59 Cb -0.10 -1.67 -0.01 0.00 0.10 0.00 0.00 34.13 32.45 2i6a s GLU 59 CO 0.27 0.13 -0.17 0.71 0.02 0.00 0.00 175.26 176.22 2i6a s TYR 60 N -2.64 1.60 -0.14 1.61 2.02 -1.26 -2.14 117.35 116.40 2i6a s TYR 60 Ca 0.32 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.53 2i6a s TYR 60 Cb 0.03 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.57 2i6a s TYR 60 CO 0.16 -0.11 0.36 -1.01 -1.57 0.00 0.00 175.55 173.39 2i6a s HIS 61 N -0.13 -0.45 0.22 2.71 3.76 -0.34 -4.98 115.29 116.08 2i6a s HIS 61 Ca 0.00 1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 55.64 2i6a s HIS 61 Cb -0.09 0.17 -0.11 0.00 1.11 0.00 0.00 32.58 33.65 2i6a s HIS 61 CO 0.01 -0.25 1.66 0.00 -0.85 0.00 0.00 174.74 175.31 2i6a s ALA 62 N 0.75 3.86 0.00 -1.40 0.00 -1.26 0.62 121.76 124.33 2i6a s ALA 62 Ca -0.05 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2i6a s ALA 62 Cb -0.06 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2i6a s ALA 62 CO -0.05 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2i6a n GLY 63 N 3.53 5.42 0.12 0.00 0.00 0.23 -4.77 105.19 109.71 2i6a n GLY 63 Ca 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2i6a n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i6a n GLY 64 N 1.30 -0.74 0.48 -0.02 0.00 -1.24 -3.51 105.19 101.45 2i6a n GLY 64 Ca 0.00 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 2i6a n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2i6a h SER 65 N 0.00 -1.07 -0.29 1.61 0.87 -1.97 -1.03 113.55 111.67 2i6a h SER 65 Ca 0.00 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2i6a h SER 65 Cb 0.00 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2i6a h SER 65 CO 0.00 -0.72 0.17 0.74 -0.53 0.00 0.00 176.83 176.49 2i6a h THR 66 N -1.17 1.05 -0.52 2.23 2.02 -1.89 -1.84 112.91 112.78 2i6a h THR 66 Ca -0.11 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.05 2i6a h THR 66 Cb 0.92 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 67.88 2i6a h THR 66 CO 0.16 0.07 -0.14 -0.61 0.37 0.00 0.00 175.52 175.37 2i6a h GLN 67 N 0.36 -0.01 -0.38 6.66 4.15 -1.82 -0.08 115.11 123.98 2i6a h GLN 67 Ca 0.11 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.59 2i6a h GLN 67 Cb -0.02 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 2i6a h GLN 67 CO -0.04 -0.01 0.04 -0.91 -1.93 0.00 0.00 178.83 175.98 2i6a h ASN 68 N -0.01 -0.07 0.17 -0.69 2.35 -0.40 -1.73 115.58 115.19 2i6a h ASN 68 Ca 0.25 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 2i6a h ASN 68 Cb 0.39 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2i6a h ASN 68 CO -0.55 -0.00 -0.08 0.28 -1.65 0.00 0.00 177.43 175.43 2i6a h SER 69 N 0.15 -0.19 -0.96 5.81 0.02 -0.69 -0.62 113.55 117.08 2i6a h SER 69 Ca 0.19 -0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.27 2i6a h SER 69 Cb 0.24 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.75 2i6a h SER 69 CO -0.28 -0.07 0.61 0.40 -1.14 0.00 0.00 176.83 176.35 2i6a h ILE 70 N -0.30 0.71 -0.10 3.27 1.08 -0.91 -0.28 117.51 120.98 2i6a h ILE 70 Ca -0.02 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 2i6a h ILE 70 Cb 0.23 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2i6a h ILE 70 CO 0.04 0.11 -0.10 0.11 -0.69 0.00 0.00 178.15 177.62 2i6a h LYS 71 N 0.61 0.24 -0.72 2.37 1.57 -0.66 -1.88 116.57 118.09 2i6a h LYS 71 Ca 0.52 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 2i6a h LYS 71 Cb 1.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2i6a h LYS 71 CO -0.27 0.65 0.44 0.28 -0.57 0.00 0.00 179.45 179.99 2i6a h VAL 72 N -0.17 1.07 -0.45 0.50 2.07 -0.69 -0.79 116.25 117.79 2i6a h VAL 72 Ca 0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2i6a h VAL 72 Cb 0.61 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2i6a h VAL 72 CO 0.02 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.06 2i6a h ALA 73 N 1.32 0.57 -0.00 1.67 0.00 -1.05 -0.19 119.26 121.58 2i6a h ALA 73 Ca 0.29 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2i6a h ALA 73 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2i6a h ALA 73 CO -0.13 0.03 -0.02 0.37 0.00 0.00 0.00 179.25 179.50 2i6a h GLN 74 N 0.61 -0.04 -0.98 0.00 5.75 -0.97 0.30 115.11 119.78 2i6a h GLN 74 Ca 0.16 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.82 2i6a h GLN 74 Cb -0.06 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.40 2i6a h GLN 74 CO -0.03 -0.03 0.59 2.35 -2.65 0.00 0.00 178.83 179.06 2i6a h TRP 75 N -0.04 1.05 -0.06 3.99 7.01 -0.69 0.24 115.95 127.45 2i6a h TRP 75 Ca 0.01 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.88 2i6a h TRP 75 Cb 0.06 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 2i6a h TRP 75 CO -0.10 0.32 -0.68 0.52 -2.79 0.00 0.00 178.44 175.71 2i6a h MET 76 N 0.84 0.27 0.00 2.65 2.86 -0.35 -3.02 114.93 118.17 2i6a h MET 76 Ca 0.52 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.89 2i6a h MET 76 Cb 0.67 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2i6a h MET 76 CO -0.33 0.84 -0.33 0.82 1.06 0.00 0.00 176.91 178.98 2i6a h ILE 77 N 0.19 0.62 0.00 -1.22 2.04 0.47 -3.44 117.51 116.16 2i6a h ILE 77 Ca -0.02 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2i6a h ILE 77 Cb 1.22 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2i6a h ILE 77 CO 0.11 0.32 0.00 1.67 0.00 0.00 0.00 178.15 180.25 2i6a n GLN 78 N -3.25 0.00 0.00 2.37 -0.06 0.71 -4.39 117.38 112.76 2i6a n GLN 78 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2i6a n GLN 78 Cb 0.61 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.79 2i6a n GLN 78 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2i6a n GLN 79 N 0.00 0.00 -3.27 3.69 3.00 -1.26 -4.39 117.38 115.15 2i6a n GLN 79 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2i6a n GLN 79 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 2i6a n GLN 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2i6a s PRO 80 N 0.00 4.25 0.63 -1.09 0.04 -1.26 -5.04 135.00 132.53 2i6a s PRO 80 Ca 0.00 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2i6a s PRO 80 Cb 0.00 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 2i6a s PRO 80 CO 0.00 0.43 1.19 -1.01 0.04 0.00 0.00 177.00 177.66 2i6a s HIS 81 N -0.37 2.35 -1.47 0.56 3.76 -1.26 -2.94 115.29 115.91 2i6a s HIS 81 Ca 0.29 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 2i6a s HIS 81 Cb -0.18 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.07 2i6a s HIS 81 CO 0.16 -2.22 0.00 1.63 -0.85 0.00 0.00 174.74 173.46 2i6a n LYS 82 N -1.92 -1.26 0.23 1.40 5.02 0.96 -4.72 118.16 117.88 2i6a n LYS 82 Ca 0.13 0.86 0.09 0.00 -2.02 0.00 0.00 58.31 57.37 2i6a n LYS 82 Cb 0.50 -5.21 0.58 0.00 -0.02 0.00 0.00 35.03 30.87 2i6a n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i6a h ALA 83 N 0.59 1.31 -3.28 7.82 0.00 -1.75 0.08 119.26 124.04 2i6a h ALA 83 Ca -0.38 -0.18 -0.66 0.00 0.00 0.00 0.00 54.91 53.69 2i6a h ALA 83 Cb 1.23 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.72 2i6a h ALA 83 CO 0.46 0.25 -0.76 0.00 0.00 0.00 0.00 179.25 179.20 2i6a s ALA 84 N -4.17 2.63 0.03 0.00 0.00 -1.26 -0.95 121.76 118.03 2i6a s ALA 84 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 2i6a s ALA 84 Cb 0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2i6a s ALA 84 CO 0.64 0.17 0.21 0.99 0.00 0.00 0.00 175.76 177.77 2i6a s THR 85 N 0.48 5.40 -0.06 0.00 2.01 0.16 -1.55 115.64 122.08 2i6a s THR 85 Ca -0.09 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 2i6a s THR 85 Cb -0.16 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.81 2i6a s THR 85 CO 0.04 0.24 0.12 0.12 -0.69 0.00 0.00 174.62 174.46 2i6a s PHE 86 N -1.41 -0.12 -0.03 4.92 5.36 -1.02 -1.24 117.98 124.44 2i6a s PHE 86 Ca 0.31 0.42 0.07 0.00 -0.96 0.00 0.00 56.93 56.77 2i6a s PHE 86 Cb -0.13 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.40 2i6a s PHE 86 CO 0.22 -0.16 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.54 2i6a s PHE 87 N 1.23 2.43 0.11 10.12 0.08 -1.00 -0.35 117.98 130.61 2i6a s PHE 87 Ca -0.08 -0.36 -0.26 0.00 0.12 0.00 0.00 56.93 56.35 2i6a s PHE 87 Cb -0.12 -1.54 0.09 0.00 -0.57 0.00 0.00 43.02 40.88 2i6a s PHE 87 CO -0.05 0.02 1.10 0.20 -0.10 0.00 0.00 175.22 176.39 2i6a s GLY 88 N -0.64 -0.14 -0.23 4.36 0.00 -1.14 -2.37 107.32 107.15 2i6a s GLY 88 Ca 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.85 2i6a s GLY 88 CO -0.01 1.55 -0.00 0.00 0.00 0.00 0.00 173.10 174.64 2i6a s ILE 90 N 1.52 1.99 0.41 0.00 -4.36 0.80 -3.08 121.20 118.49 2i6a s ILE 90 Ca 0.06 -1.94 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 2i6a s ILE 90 Cb -0.15 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.63 2i6a s ILE 90 CO -0.01 0.00 0.58 -0.83 0.24 0.00 0.00 174.94 174.93 2i6a s GLY 91 N -3.76 1.68 -1.15 6.27 0.00 -1.26 -2.42 107.32 106.68 2i6a s GLY 91 Ca 0.34 -1.37 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 2i6a s GLY 91 CO 0.18 -1.22 1.34 -0.42 0.00 0.00 0.00 173.10 172.98 2i6a s ILE 92 N -2.39 5.13 0.32 0.90 1.01 -0.37 -4.40 121.20 121.40 2i6a s ILE 92 Ca 0.49 -2.60 -0.08 0.00 0.00 0.00 0.00 60.65 58.46 2i6a s ILE 92 Cb -0.10 -4.85 0.03 0.00 0.01 0.00 0.00 42.46 37.56 2i6a s ILE 92 CO 0.34 -1.54 0.56 -0.90 0.00 0.00 0.00 174.94 173.41 2i6a n ASP 93 N 5.35 -1.62 0.18 3.58 3.85 -1.26 -4.93 116.55 121.69 2i6a n ASP 93 Ca 0.33 -2.45 -0.14 0.00 -0.71 0.00 0.00 54.79 51.81 2i6a n ASP 93 Cb 0.43 2.79 -0.08 0.00 -1.35 0.00 0.00 41.12 42.91 2i6a n ASP 93 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 2i6a h LYS 94 N 0.00 -0.71 -0.86 0.11 3.64 -2.00 -1.72 116.57 115.03 2i6a h LYS 94 Ca -0.26 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.39 2i6a h LYS 94 Cb 1.03 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 2i6a h LYS 94 CO 0.34 -0.47 0.19 0.74 -2.27 0.00 0.00 179.45 177.98 2i6a h PHE 95 N -0.73 0.27 -0.53 1.91 0.04 -1.97 0.61 116.94 116.55 2i6a h PHE 95 Ca -0.03 0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.83 2i6a h PHE 95 Cb 0.67 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 2i6a h PHE 95 CO -0.31 -0.23 0.28 0.78 -0.60 0.00 0.00 178.31 178.24 2i6a h GLY 96 N 0.18 0.74 1.09 -1.45 0.00 -1.74 -0.64 103.07 101.26 2i6a h GLY 96 Ca 0.53 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 2i6a h GLY 96 CO -0.67 0.14 0.12 -2.09 0.00 0.00 0.00 176.54 174.04 2i6a h GLU 97 N 0.55 1.12 -0.12 4.80 4.57 0.11 -1.36 114.58 124.25 2i6a h GLU 97 Ca 0.23 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2i6a h GLU 97 Cb 0.11 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2i6a h GLU 97 CO -0.14 1.01 0.07 0.82 -1.18 0.00 0.00 179.01 179.59 2i6a h ILE 98 N 1.05 1.04 -0.57 2.32 2.04 -1.03 -1.64 117.51 120.72 2i6a h ILE 98 Ca 0.21 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 66.05 2i6a h ILE 98 Cb 0.43 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2i6a h ILE 98 CO 0.01 0.04 0.23 -0.07 0.00 0.00 0.00 178.15 178.36 2i6a h LEU 99 N 0.14 0.26 -0.44 1.44 3.38 -0.66 0.18 115.31 119.62 2i6a h LEU 99 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2i6a h LEU 99 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2i6a h LEU 99 CO -0.01 0.17 0.21 0.11 0.09 0.00 0.00 178.44 179.01 2i6a h LYS 100 N 0.43 0.63 -0.40 1.13 1.57 -1.16 0.01 116.57 118.78 2i6a h LYS 100 Ca 0.28 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2i6a h LYS 100 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2i6a h LYS 100 CO -0.26 0.55 0.23 -0.09 -0.57 0.00 0.00 179.45 179.31 2i6a h ARG 101 N 0.56 0.55 -0.29 3.15 2.43 -0.62 -0.48 114.38 119.68 2i6a h ARG 101 Ca 0.15 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2i6a h ARG 101 Cb 0.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2i6a h ARG 101 CO -0.02 0.43 -0.12 0.87 -1.51 0.00 0.00 179.97 179.63 2i6a h LYS 102 N 0.52 0.49 -0.38 0.20 1.79 -0.48 -1.29 116.57 117.42 2i6a h LYS 102 Ca 0.14 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2i6a h LYS 102 Cb 0.03 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2i6a h LYS 102 CO -0.02 0.60 0.08 0.00 -1.08 0.00 0.00 179.45 179.03 2i6a h ALA 103 N 1.43 0.51 0.27 3.86 0.00 -0.46 -2.41 119.26 122.46 2i6a h ALA 103 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2i6a h ALA 103 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2i6a h ALA 103 CO 0.03 0.19 -0.13 0.00 0.00 0.00 0.00 179.25 179.34 2i6a h ALA 104 N 0.93 -0.37 -1.02 0.00 0.00 -0.70 -2.07 119.26 116.03 2i6a h ALA 104 Ca 0.12 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.20 2i6a h ALA 104 Cb 0.32 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2i6a h ALA 104 CO 0.00 -0.67 0.71 0.93 0.00 0.00 0.00 179.25 180.23 2i6a h GLU 105 N -0.45 0.15 -0.00 0.00 5.08 -1.21 0.98 114.58 119.13 2i6a h GLU 105 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2i6a h GLU 105 Cb 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2i6a h GLU 105 CO 0.06 0.10 -0.03 0.00 -1.00 0.00 0.00 179.01 178.15 2i6a n ALA 106 N -2.64 2.66 -1.96 3.43 0.00 -0.91 -4.89 120.51 116.20 2i6a n ALA 106 Ca 0.23 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2i6a n ALA 106 Cb 0.99 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2i6a n ALA 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2i6a n HIS 107 N -0.85 -0.44 -3.30 0.00 8.25 0.34 -4.65 115.22 114.57 2i6a n HIS 107 Ca 0.20 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 2i6a n HIS 107 Cb 0.21 -2.98 -0.06 0.00 1.12 0.00 0.00 29.99 28.28 2i6a n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2i6a s VAL 108 N -2.69 5.05 -1.26 1.59 1.01 -0.81 -0.03 120.40 123.27 2i6a s VAL 108 Ca 0.00 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 2i6a s VAL 108 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2i6a s VAL 108 CO 0.00 0.40 1.95 -0.67 0.00 0.00 0.00 175.10 176.78 2i6a n ASP 109 N 2.99 3.99 -4.73 3.32 2.03 -0.59 -4.50 116.55 119.05 2i6a n ASP 109 Ca -0.08 -2.83 -0.40 0.00 0.52 0.00 0.00 54.79 52.01 2i6a n ASP 109 Cb 0.51 -1.63 -0.05 0.00 -0.72 0.00 0.00 41.12 39.23 2i6a n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i6a s ALA 110 N 5.11 3.36 -0.11 -1.67 0.00 -1.26 -2.43 121.76 124.77 2i6a s ALA 110 Ca 0.55 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2i6a s ALA 110 Cb 0.08 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.30 2i6a s ALA 110 CO 0.04 -0.03 -0.04 -1.01 0.00 0.00 0.00 175.76 174.72 2i6a s HIS 111 N 0.49 1.23 0.12 0.00 3.76 0.53 -4.96 115.29 116.47 2i6a s HIS 111 Ca 0.37 -0.60 0.09 0.00 -0.15 0.00 0.00 55.06 54.77 2i6a s HIS 111 Cb -0.18 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 2i6a s HIS 111 CO 0.19 -0.47 -0.15 0.71 -0.85 0.00 0.00 174.74 174.17 2i6a s TYR 112 N 1.79 2.59 -0.19 1.40 1.51 -1.26 -2.91 117.35 120.28 2i6a s TYR 112 Ca 0.04 -0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 55.68 2i6a s TYR 112 Cb -0.13 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2i6a s TYR 112 CO -0.07 0.41 0.53 -0.47 -1.11 0.00 0.00 175.55 174.84 2i6a s TYR 113 N -1.24 3.39 -0.04 2.71 5.04 0.25 -4.91 117.35 122.55 2i6a s TYR 113 Ca 0.20 0.82 0.05 0.00 -2.44 0.00 0.00 57.07 55.70 2i6a s TYR 113 Cb -0.10 -2.67 -0.02 0.00 0.35 0.00 0.00 41.96 39.51 2i6a s TYR 113 CO 0.12 -0.07 -0.20 -1.21 -1.34 0.00 0.00 175.55 172.84 2i6a s GLU 114 N 1.52 2.38 0.10 4.97 2.02 -1.26 -0.14 118.70 128.29 2i6a s GLU 114 Ca 0.25 -0.81 -0.13 0.00 0.02 0.00 0.00 54.97 54.30 2i6a s GLU 114 Cb -0.15 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.86 2i6a s GLU 114 CO 0.10 0.56 0.30 1.14 0.02 0.00 0.00 175.26 177.38 2i6a s GLN 115 N -0.60 0.94 -0.00 1.61 1.03 -1.01 -4.94 119.66 116.68 2i6a s GLN 115 Ca 0.09 -0.78 0.22 0.00 0.04 0.00 0.00 55.36 54.93 2i6a s GLN 115 Cb -0.11 0.40 -0.27 0.00 0.03 0.00 0.00 33.01 33.06 2i6a s GLN 115 CO 0.00 -0.33 0.63 0.09 -2.54 0.00 0.00 175.29 173.14 2i6a n ASN 116 N -0.04 0.28 0.31 12.60 3.02 -1.26 -1.24 115.26 128.92 2i6a n ASN 116 Ca -0.16 -0.17 -0.17 0.00 -0.03 0.00 0.00 54.58 54.05 2i6a n ASN 116 Cb 0.63 1.63 -0.08 0.00 -0.61 0.00 0.00 39.78 41.34 2i6a n ASN 116 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2i6a h GLU 117 N 0.00 -0.74 -5.86 3.52 3.07 -1.98 -3.43 114.58 109.17 2i6a h GLU 117 Ca 0.00 0.05 -0.66 0.00 -0.50 0.00 0.00 59.36 58.25 2i6a h GLU 117 Cb 0.89 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 28.88 2i6a h GLU 117 CO 0.00 -0.49 -0.54 -0.65 -1.40 0.00 0.00 179.01 175.93 2i6a s GLN 118 N -6.07 3.22 0.42 2.33 -1.52 -1.26 -5.08 119.66 111.70 2i6a s GLN 118 Ca -0.17 -0.33 -0.22 0.00 -1.95 0.00 0.00 55.36 52.69 2i6a s GLN 118 Cb 0.04 -2.98 -0.11 0.00 -0.22 0.00 0.00 33.01 29.74 2i6a s GLN 118 CO 0.63 0.70 0.95 -1.25 -0.25 0.00 0.00 175.29 176.07 2i6a s PRO 119 N -1.37 4.27 0.20 2.91 0.04 -1.26 -4.19 135.00 135.60 2i6a s PRO 119 Ca 0.19 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 2i6a s PRO 119 Cb -0.12 -2.27 -0.15 0.00 0.04 0.00 0.00 34.50 32.00 2i6a s PRO 119 CO 0.09 0.00 1.12 2.41 0.04 0.00 0.00 177.00 180.66 2i6a n THR 120 N -0.47 1.18 -1.52 1.26 -1.04 -1.26 -1.04 114.28 111.39 2i6a n THR 120 Ca 0.06 -0.29 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 2i6a n THR 120 Cb 0.53 -0.87 0.07 0.00 -1.82 0.00 0.00 70.33 68.24 2i6a n THR 120 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2i6a s GLY 121 N -0.15 2.03 0.16 3.41 0.00 -1.14 -4.67 107.32 106.96 2i6a s GLY 121 Ca 0.69 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.95 2i6a s GLY 121 CO 0.54 0.89 0.02 -0.51 0.00 0.00 0.00 173.10 174.04 2i6a s THR 122 N -2.45 0.48 -0.04 0.90 -4.23 -0.64 -1.94 115.64 107.72 2i6a s THR 122 Ca 0.66 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2i6a s THR 122 Cb -0.21 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.55 2i6a s THR 122 CO 0.47 -0.47 -0.04 0.00 -0.54 0.00 0.00 174.62 174.04 2i6a s ALA 124 N 0.86 3.73 -0.53 0.00 0.00 -0.34 -0.99 121.76 124.49 2i6a s ALA 124 Ca -0.11 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2i6a s ALA 124 Cb -0.14 -2.31 0.14 0.00 0.00 0.00 0.00 23.12 20.82 2i6a s ALA 124 CO -0.00 0.52 0.31 0.00 0.00 0.00 0.00 175.76 176.59 2i6a s ALA 125 N -1.13 2.87 -0.72 0.00 0.00 0.46 -1.83 121.76 121.41 2i6a s ALA 125 Ca 0.24 -3.10 -0.26 0.00 0.00 0.00 0.00 51.96 48.83 2i6a s ALA 125 Cb -0.16 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.96 2i6a s ALA 125 CO 0.13 -2.05 1.50 0.00 0.00 0.00 0.00 175.76 175.34 2i6a s ILE 127 N 6.93 5.20 -0.05 0.00 1.09 -0.80 -1.60 121.20 131.97 2i6a s ILE 127 Ca 0.47 0.88 0.01 0.00 -1.10 0.00 0.00 60.65 60.91 2i6a s ILE 127 Cb -0.09 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.55 2i6a s ILE 127 CO 0.14 0.31 -0.05 0.42 -0.10 0.00 0.00 174.94 175.67 2i6a s THR 128 N 0.76 0.58 0.00 2.92 -4.23 -0.93 -0.02 115.64 114.71 2i6a s THR 128 Ca 0.24 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2i6a s THR 128 Cb -0.15 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.09 2i6a s THR 128 CO 0.09 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2i6a n GLY 129 N 4.14 3.43 1.11 3.99 0.00 -1.26 0.49 105.19 117.10 2i6a n GLY 129 Ca -0.23 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2i6a n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i6a n ASP 130 N 5.30 3.62 -4.90 1.61 10.43 -1.26 -4.95 116.55 126.40 2i6a n ASP 130 Ca 0.00 -2.01 -0.31 0.00 2.57 0.00 0.00 54.79 55.05 2i6a n ASP 130 Cb 0.00 -0.40 -0.04 0.00 1.84 0.00 0.00 41.12 42.51 2i6a n ASP 130 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2i6a s ASN 131 N -1.00 6.50 -0.03 -2.24 -0.87 0.18 -4.99 114.94 112.49 2i6a s ASN 131 Ca 0.40 0.65 0.01 0.00 -1.57 0.00 0.00 52.86 52.35 2i6a s ASN 131 Cb 0.21 -2.12 0.02 0.00 -0.02 0.00 0.00 41.25 39.35 2i6a s ASN 131 CO 0.27 -0.01 -0.02 -0.13 -2.57 0.00 0.00 177.10 174.64 2i6a s ARG 132 N -2.87 0.42 -0.28 -0.60 0.52 -1.00 -2.20 118.95 112.95 2i6a s ARG 132 Ca 0.42 -0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.66 2i6a s ARG 132 Cb -0.12 -0.53 0.07 0.00 0.52 0.00 0.00 34.95 34.89 2i6a s ARG 132 CO 0.25 -0.08 -0.07 0.45 0.02 0.00 0.00 175.30 175.87 2i6a s SER 133 N 0.80 4.56 -0.20 0.23 0.15 -0.62 -1.58 113.70 117.04 2i6a s SER 133 Ca -0.09 -1.51 -0.12 0.00 0.70 0.00 0.00 55.95 54.93 2i6a s SER 133 Cb -0.12 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.56 2i6a s SER 133 CO -0.01 -0.23 0.23 -0.76 1.20 0.00 0.00 173.24 173.67 2i6a s LEU 134 N 1.09 4.19 -0.23 3.45 1.43 0.47 -1.48 118.68 127.59 2i6a s LEU 134 Ca -0.05 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2i6a s LEU 134 Cb -0.20 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.83 2i6a s LEU 134 CO -0.05 0.09 -0.07 -0.63 0.23 0.00 0.00 176.35 175.92 2i6a s ILE 135 N 0.70 1.59 -0.20 -0.59 1.09 -0.76 0.18 121.20 123.21 2i6a s ILE 135 Ca 0.12 -1.21 -0.15 0.00 -1.10 0.00 0.00 60.65 58.31 2i6a s ILE 135 Cb -0.13 -1.81 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 2i6a s ILE 135 CO 0.03 -0.05 0.36 0.00 -0.10 0.00 0.00 174.94 175.18 2i6a s ALA 136 N 1.38 3.56 -0.94 9.38 0.00 0.12 -1.20 121.76 134.06 2i6a s ALA 136 Ca -0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 2i6a s ALA 136 Cb -0.18 -2.57 0.24 0.00 0.00 0.00 0.00 23.12 20.60 2i6a s ALA 136 CO -0.06 -0.24 0.88 1.21 0.00 0.00 0.00 175.76 177.54 2i6a s ASN 137 N 0.98 6.65 0.38 0.00 2.47 0.94 -1.92 114.94 124.44 2i6a s ASN 137 Ca 0.18 -3.34 0.13 0.00 0.42 0.00 0.00 52.86 50.25 2i6a s ASN 137 Cb -0.14 -2.10 0.96 0.00 -1.45 0.00 0.00 41.25 38.52 2i6a s ASN 137 CO 0.07 -0.34 1.85 -0.07 -3.72 0.00 0.00 177.10 174.89 2i6a h LEU 138 N 6.81 0.53 0.00 3.21 3.38 -1.94 -1.71 115.31 125.59 2i6a h LEU 138 Ca 0.14 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2i6a h LEU 138 Cb 0.91 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2i6a h LEU 138 CO 0.88 0.22 0.00 0.00 0.09 0.00 0.00 178.44 179.63 2i6a n ALA 139 N -2.46 0.00 -0.06 1.53 0.00 -1.26 0.30 120.51 118.56 2i6a n ALA 139 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.78 2i6a n ALA 139 Cb 0.62 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.62 2i6a n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i6a h ALA 140 N -0.03 2.15 0.00 0.00 0.00 -1.34 -0.72 119.26 119.32 2i6a h ALA 140 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i6a h ALA 140 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2i6a h ALA 140 CO 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.05 2i6a h ALA 141 N 1.71 1.08 -0.01 0.00 0.00 -0.08 0.11 119.26 122.08 2i6a h ALA 141 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2i6a h ALA 141 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2i6a h ALA 141 CO -0.06 -0.08 -0.03 -1.71 0.00 0.00 0.00 179.25 177.37 2i6a n ASN 142 N -2.69 0.75 -1.22 0.00 4.05 -0.28 -4.07 115.26 111.80 2i6a n ASN 142 Ca -0.02 -1.12 0.09 0.00 0.45 0.00 0.00 54.58 53.98 2i6a n ASN 142 Cb 0.14 -0.01 0.28 0.00 1.23 0.00 0.00 39.78 41.42 2i6a n ASN 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2i6a s TYR 144 N -1.48 2.36 -0.07 0.00 5.04 -1.26 -5.00 117.35 116.95 2i6a s TYR 144 Ca 0.41 0.69 0.04 0.00 -2.44 0.00 0.00 57.07 55.77 2i6a s TYR 144 Cb 0.24 -3.98 -0.02 0.00 0.35 0.00 0.00 41.96 38.55 2i6a s TYR 144 CO 0.24 -2.34 -0.17 0.15 -1.34 0.00 0.00 175.55 172.09 2i6a s LYS 145 N 4.51 2.68 0.24 4.97 -0.14 -1.26 -4.67 119.74 126.08 2i6a s LYS 145 Ca 0.64 -0.75 0.04 0.00 -1.36 0.00 0.00 55.97 54.54 2i6a s LYS 145 Cb -0.20 -2.37 0.27 0.00 -1.68 0.00 0.00 37.83 33.84 2i6a s LYS 145 CO 0.27 0.48 1.58 1.57 -0.76 0.00 0.00 175.35 178.49 2i6a h LYS 146 N 5.80 0.26 0.00 1.68 2.10 -1.97 -2.91 116.57 121.54 2i6a h LYS 146 Ca -0.39 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2i6a h LYS 146 Cb 1.17 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2i6a h LYS 146 CO 0.51 0.76 -0.01 1.05 -2.00 0.00 0.00 179.45 179.76 2i6a h GLU 147 N 0.20 0.00 -0.38 0.07 9.09 -1.96 0.56 114.58 122.16 2i6a h GLU 147 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2i6a h GLU 147 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2i6a h GLU 147 CO 0.09 0.01 0.00 0.36 0.05 0.00 0.00 179.01 179.52 2i6a n LYS 148 N -3.11 3.22 0.16 1.06 2.85 -1.10 -4.71 118.16 116.53 2i6a n LYS 148 Ca 0.01 -2.66 0.00 0.00 -1.05 0.00 0.00 58.31 54.61 2i6a n LYS 148 Cb 0.33 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2i6a n LYS 148 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2i6a n HIS 149 N 0.18 -3.98 -0.36 5.58 -0.00 -1.18 -4.95 115.22 110.51 2i6a n HIS 149 Ca 0.20 1.11 -0.02 0.00 -0.00 0.00 0.00 57.72 59.00 2i6a n HIS 149 Cb 0.78 2.91 0.11 0.00 -0.00 0.00 0.00 29.99 33.79 2i6a n HIS 149 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2i6a h LEU 150 N 0.00 1.13 -0.18 0.27 5.85 -1.59 -2.73 115.31 118.07 2i6a h LEU 150 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2i6a h LEU 150 Cb 0.00 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.74 2i6a h LEU 150 CO 0.00 0.85 0.00 0.47 -0.34 0.00 0.00 178.44 179.42 2i6a n ASP 151 N -4.37 0.27 -4.78 1.25 8.00 0.19 -3.19 116.55 113.93 2i6a n ASP 151 Ca 0.11 -1.46 -0.39 0.00 0.71 0.00 0.00 54.79 53.76 2i6a n ASP 151 Cb 0.04 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2i6a n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i6a s LEU 152 N -1.59 4.55 0.21 0.64 1.43 -1.03 -4.89 118.68 117.99 2i6a s LEU 152 Ca 0.29 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 54.92 2i6a s LEU 152 Cb 0.14 -3.37 0.27 0.00 0.03 0.00 0.00 46.19 43.26 2i6a s LEU 152 CO 0.23 0.17 1.74 -0.08 0.23 0.00 0.00 176.35 178.64 2i6a h GLU 153 N 4.14 0.39 -0.53 1.70 4.81 -1.89 0.69 114.58 123.89 2i6a h GLU 153 Ca -0.47 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2i6a h GLU 153 Cb 1.20 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2i6a h GLU 153 CO 0.66 0.26 0.35 1.57 -0.73 0.00 0.00 179.01 181.12 2i6a h LYS 154 N 0.40 0.61 0.00 1.92 2.10 -1.94 -0.59 116.57 119.07 2i6a h LYS 154 Ca 0.30 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.88 2i6a h LYS 154 Cb 0.37 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2i6a h LYS 154 CO -0.31 0.41 -0.31 -0.91 -2.00 0.00 0.00 179.45 176.33 2i6a h ASN 155 N 0.63 0.00 -0.36 7.07 4.21 -1.71 -3.32 115.58 122.10 2i6a h ASN 155 Ca 0.21 -0.37 0.10 0.00 1.21 0.00 0.00 56.30 57.46 2i6a h ASN 155 Cb 0.06 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 2i6a h ASN 155 CO -0.05 0.85 0.30 -0.25 -1.29 0.00 0.00 177.43 176.99 2i6a h TRP 156 N -1.00 0.00 -0.28 1.19 2.91 -0.83 0.40 115.95 118.33 2i6a h TRP 156 Ca -0.06 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.88 2i6a h TRP 156 Cb 0.60 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.23 2i6a h TRP 156 CO 0.05 0.00 -0.17 1.98 -1.03 0.00 0.00 178.44 179.28 2i6a h MET 157 N 0.00 0.50 -0.12 2.65 4.05 -1.23 -2.62 114.93 118.16 2i6a h MET 157 Ca 0.17 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 2i6a h MET 157 Cb 0.77 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 2i6a h MET 157 CO -0.00 0.65 -0.33 -0.07 0.23 0.00 0.00 176.91 177.39 2i6a h LEU 158 N 0.45 0.23 -0.96 3.39 3.38 -1.01 -2.40 115.31 118.40 2i6a h LEU 158 Ca 0.08 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2i6a h LEU 158 Cb 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2i6a h LEU 158 CO 0.04 0.56 -0.43 0.58 0.09 0.00 0.00 178.44 179.27 2i6a h VAL 159 N 0.20 1.06 0.00 1.22 2.07 -1.42 -2.92 116.25 116.46 2i6a h VAL 159 Ca 0.03 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2i6a h VAL 159 Cb 0.68 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2i6a h VAL 159 CO 0.05 0.42 0.00 -0.33 0.02 0.00 0.00 177.57 177.73 2i6a h GLU 160 N 0.00 0.00 0.00 1.57 5.08 -1.06 -3.05 114.58 117.12 2i6a h GLU 160 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2i6a h GLU 160 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2i6a h GLU 160 CO 0.06 0.00 -0.64 0.87 -1.00 0.00 0.00 179.01 178.30 2i6a h LYS 161 N 0.00 0.00 -7.00 2.33 1.57 -1.42 -3.47 116.57 108.59 2i6a h LYS 161 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2i6a h LYS 161 Cb 0.80 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.23 2i6a h LYS 161 CO 0.00 0.64 0.70 0.00 -0.57 0.00 0.00 179.45 180.22 2i6a s ALA 162 N -3.11 3.20 -0.19 3.86 0.00 -0.93 -4.51 121.76 120.08 2i6a s ALA 162 Ca 0.02 1.47 0.13 0.00 0.00 0.00 0.00 51.96 53.58 2i6a s ALA 162 Cb 0.10 -3.60 -0.23 0.00 0.00 0.00 0.00 23.12 19.39 2i6a s ALA 162 CO 0.76 -1.24 0.09 0.54 0.00 0.00 0.00 175.76 175.91 2i6a n ARG 163 N -0.29 0.68 -4.58 0.00 5.12 0.83 -4.94 116.66 113.47 2i6a n ARG 163 Ca 0.06 0.07 -0.22 0.00 -1.93 0.00 0.00 57.85 55.83 2i6a n ARG 163 Cb 0.42 -1.56 -0.15 0.00 -1.16 0.00 0.00 32.46 30.00 2i6a n ARG 163 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2i6a s VAL 164 N -2.51 1.03 -0.02 1.55 1.01 -0.99 -2.38 120.40 118.08 2i6a s VAL 164 Ca -0.15 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2i6a s VAL 164 Cb 0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2i6a s VAL 164 CO 0.78 0.30 -0.22 0.00 0.00 0.00 0.00 175.10 175.95 2i6a s TYR 166 N -0.45 0.35 -0.06 0.00 5.04 0.13 -0.88 117.35 121.49 2i6a s TYR 166 Ca 0.07 -0.05 -0.03 0.00 -2.44 0.00 0.00 57.07 54.62 2i6a s TYR 166 Cb -0.09 -0.34 0.03 0.00 0.35 0.00 0.00 41.96 41.91 2i6a s TYR 166 CO -0.00 -0.08 0.14 0.42 -1.34 0.00 0.00 175.55 174.69 2i6a s ILE 167 N 0.50 -0.04 0.43 3.14 1.01 -0.99 -3.14 121.20 122.12 2i6a s ILE 167 Ca -0.05 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 2i6a s ILE 167 Cb -0.08 -0.22 -0.10 0.00 0.01 0.00 0.00 42.46 42.07 2i6a s ILE 167 CO -0.01 0.05 1.00 0.00 0.00 0.00 0.00 174.94 175.98 2i6a s ALA 168 N 0.87 3.02 0.56 9.38 0.00 -1.26 -2.56 121.76 131.76 2i6a s ALA 168 Ca -0.07 0.54 0.27 0.00 0.00 0.00 0.00 51.96 52.70 2i6a s ALA 168 Cb -0.09 -3.21 1.47 0.00 0.00 0.00 0.00 23.12 21.29 2i6a s ALA 168 CO -0.04 -0.07 2.00 0.78 0.00 0.00 0.00 175.76 178.43 2i6a h GLY 169 N 2.06 0.00 -0.13 0.00 0.00 -0.36 -1.36 103.07 103.29 2i6a h GLY 169 Ca -0.49 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.12 2i6a h GLY 169 CO 0.61 0.00 0.71 0.74 0.00 0.00 0.00 176.54 178.60 2i6a h PHE 170 N 0.00 0.42 0.00 5.60 0.05 -1.86 -0.24 116.94 120.91 2i6a h PHE 170 Ca 0.20 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.97 2i6a h PHE 170 Cb 0.91 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.73 2i6a h PHE 170 CO 0.00 0.04 -0.16 0.35 -0.18 0.00 0.00 178.31 178.37 2i6a h PHE 171 N 0.26 0.00 -0.59 -0.55 3.57 -1.61 -3.04 116.94 114.97 2i6a h PHE 171 Ca 0.56 0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.17 2i6a h PHE 171 Cb 1.69 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.40 2i6a h PHE 171 CO -0.00 0.16 0.40 -0.07 -2.23 0.00 0.00 178.31 176.56 2i6a h LEU 172 N 0.00 0.32 0.00 0.59 3.38 -1.22 0.26 115.31 118.64 2i6a h LEU 172 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2i6a h LEU 172 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2i6a h LEU 172 CO 0.02 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.09 2i6a n THR 173 N -4.46 0.03 -0.01 0.22 -2.24 -1.15 -3.98 114.28 102.70 2i6a n THR 173 Ca 0.10 0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 2i6a n THR 173 Cb 0.40 -0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 2i6a n THR 173 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2i6a n VAL 174 N -1.02 0.20 -3.09 2.28 0.31 0.80 -5.01 118.33 112.80 2i6a n VAL 174 Ca 0.15 -0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 2i6a n VAL 174 Cb 0.08 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 2i6a n VAL 174 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2i6a n SER 175 N -3.14 -1.30 -0.02 4.52 2.88 -0.49 -4.85 113.62 111.22 2i6a n SER 175 Ca -0.05 -2.75 0.09 0.00 -1.33 0.00 0.00 58.87 54.83 2i6a n SER 175 Cb 0.51 0.30 0.49 0.00 -0.75 0.00 0.00 64.21 64.76 2i6a n SER 175 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2i6a h PRO 176 N 4.70 0.41 -0.61 -1.46 0.11 -1.76 -1.72 132.00 131.66 2i6a h PRO 176 Ca 0.09 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.19 2i6a h PRO 176 Cb 0.96 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2i6a h PRO 176 CO 0.32 0.27 0.39 0.93 -0.21 0.00 0.00 178.00 179.70 2i6a h GLU 177 N 0.42 0.77 -0.46 1.05 3.07 -1.94 -1.05 114.58 116.44 2i6a h GLU 177 Ca 0.21 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 2i6a h GLU 177 Cb 0.29 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2i6a h GLU 177 CO -0.05 0.51 -0.21 0.77 -1.40 0.00 0.00 179.01 178.62 2i6a h SER 178 N 0.79 0.98 -0.99 1.42 0.02 -1.72 -1.86 113.55 112.18 2i6a h SER 178 Ca 0.23 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2i6a h SER 178 Cb -0.04 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.18 2i6a h SER 178 CO -0.07 1.16 0.66 0.58 -1.14 0.00 0.00 176.83 178.02 2i6a h VAL 179 N 0.80 1.26 -0.00 2.27 2.07 -1.12 -1.65 116.25 119.87 2i6a h VAL 179 Ca 0.10 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2i6a h VAL 179 Cb 0.79 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2i6a h VAL 179 CO 0.07 0.25 -0.00 -0.07 0.02 0.00 0.00 177.57 177.83 2i6a h LEU 180 N 1.35 0.00 -0.48 2.57 3.38 -1.05 0.29 115.31 121.37 2i6a h LEU 180 Ca 0.36 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2i6a h LEU 180 Cb -0.15 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 2i6a h LEU 180 CO -0.08 0.38 -0.46 0.50 0.09 0.00 0.00 178.44 178.88 2i6a h LYS 181 N -0.38 -0.29 0.70 1.13 3.64 -1.11 1.43 116.57 121.70 2i6a h LYS 181 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2i6a h LYS 181 Cb 0.38 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2i6a h LYS 181 CO 0.00 -0.19 -0.48 0.28 -2.27 0.00 0.00 179.45 176.79 2i6a h VAL 182 N -0.30 0.00 -0.60 2.00 2.07 -1.27 -1.16 116.25 116.99 2i6a h VAL 182 Ca 0.14 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.78 2i6a h VAL 182 Cb 0.58 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 2i6a h VAL 182 CO -0.63 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 176.75 2i6a h ALA 183 N -1.13 0.25 -0.88 1.67 0.00 -0.29 0.83 119.26 119.71 2i6a h ALA 183 Ca -0.09 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2i6a h ALA 183 Cb 0.92 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2i6a h ALA 183 CO 0.06 -0.51 0.54 1.25 0.00 0.00 0.00 179.25 180.59 2i6a h HIS 184 N -0.07 1.00 -0.53 0.00 6.17 0.21 -2.16 115.15 119.77 2i6a h HIS 184 Ca 0.28 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.38 2i6a h HIS 184 Cb 0.50 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 30.08 2i6a h HIS 184 CO -0.55 0.50 0.32 1.25 0.71 0.00 0.00 177.93 180.15 2i6a h HIS 185 N 0.98 0.71 -0.44 5.26 6.17 0.39 -1.45 115.15 126.76 2i6a h HIS 185 Ca 0.39 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.51 2i6a h HIS 185 Cb 0.20 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 29.86 2i6a h HIS 185 CO -0.03 0.49 0.19 0.00 0.71 0.00 0.00 177.93 179.29 2i6a h ALA 186 N 1.15 0.54 0.08 5.26 0.00 -0.52 -2.04 119.26 123.74 2i6a h ALA 186 Ca 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2i6a h ALA 186 Cb -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2i6a h ALA 186 CO -0.04 -0.18 -0.10 1.03 0.00 0.00 0.00 179.25 179.97 2i6a h SER 187 N 0.39 -0.28 -1.15 0.00 0.87 -1.09 0.39 113.55 112.67 2i6a h SER 187 Ca 0.19 0.02 0.33 0.00 -1.23 0.00 0.00 61.79 61.11 2i6a h SER 187 Cb 0.14 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 2i6a h SER 187 CO -0.16 -0.13 0.87 -0.33 -0.53 0.00 0.00 176.83 176.55 2i6a h GLU 188 N -0.19 0.00 -0.21 2.24 5.08 -1.14 0.58 114.58 120.95 2i6a h GLU 188 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2i6a h GLU 188 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2i6a h GLU 188 CO -0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 2i6a n ASN 189 N -4.07 2.52 -3.64 1.42 3.02 -0.78 -5.00 115.26 108.74 2i6a n ASN 189 Ca 0.25 -1.77 -0.24 0.00 -0.03 0.00 0.00 54.58 52.79 2i6a n ASN 189 Cb 1.25 -0.13 0.07 0.00 -0.61 0.00 0.00 39.78 40.36 2i6a n ASN 189 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2i6a n ASN 190 N 0.61 -5.34 -4.99 6.41 5.15 0.69 -5.01 115.26 112.79 2i6a n ASN 190 Ca 0.10 -0.60 -0.20 0.00 -0.60 0.00 0.00 54.58 53.28 2i6a n ASN 190 Cb 0.37 -4.81 0.02 0.00 -0.53 0.00 0.00 39.78 34.83 2i6a n ASN 190 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2i6a s ARG 191 N -6.23 2.79 -0.28 1.20 3.00 0.10 -5.01 118.95 114.52 2i6a s ARG 191 Ca 0.50 -0.93 -0.21 0.00 0.00 0.00 0.00 55.73 55.10 2i6a s ARG 191 Cb -0.23 -2.64 -0.01 0.00 0.00 0.00 0.00 34.95 32.07 2i6a s ARG 191 CO 0.75 -0.40 0.64 0.42 0.00 0.00 0.00 175.30 176.72 2i6a s ILE 192 N -2.51 4.95 -0.20 1.52 1.01 -1.00 -4.54 121.20 120.42 2i6a s ILE 192 Ca 0.54 1.04 -0.06 0.00 0.00 0.00 0.00 60.65 62.16 2i6a s ILE 192 Cb -0.10 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2i6a s ILE 192 CO 0.35 -0.06 0.04 0.12 0.00 0.00 0.00 174.94 175.39 2i6a s PHE 193 N 2.58 3.13 0.12 3.97 5.36 -1.26 -0.77 117.98 131.12 2i6a s PHE 193 Ca 0.26 -0.19 0.08 0.00 -0.96 0.00 0.00 56.93 56.13 2i6a s PHE 193 Cb -0.15 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 2i6a s PHE 193 CO 0.10 -0.06 -0.20 0.95 -1.46 0.00 0.00 175.22 174.55 2i6a s THR 194 N 0.76 1.73 0.08 0.12 -4.23 -0.06 -0.17 115.64 113.89 2i6a s THR 194 Ca 0.02 -1.68 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 2i6a s THR 194 Cb -0.14 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 2i6a s THR 194 CO 0.02 -0.16 0.12 -0.22 -0.54 0.00 0.00 174.62 173.83 2i6a s LEU 195 N -2.19 1.77 0.06 4.79 2.96 -1.04 -2.34 118.68 122.68 2i6a s LEU 195 Ca 0.10 -0.81 0.09 0.00 -0.22 0.00 0.00 54.13 53.29 2i6a s LEU 195 Cb -0.08 0.73 -0.03 0.00 0.50 0.00 0.00 46.19 47.30 2i6a s LEU 195 CO 0.05 -0.70 -0.26 0.21 -1.32 0.00 0.00 176.35 174.33 2i6a s ASN 196 N -2.90 3.20 0.44 3.68 3.84 -1.06 -1.47 114.94 120.67 2i6a s ASN 196 Ca 0.07 -0.61 0.24 0.00 0.21 0.00 0.00 52.86 52.78 2i6a s ASN 196 Cb 0.06 -0.29 0.68 0.00 -0.55 0.00 0.00 41.25 41.16 2i6a s ASN 196 CO -0.09 0.25 1.72 -0.07 -2.79 0.00 0.00 177.10 176.12 2i6a h LEU 197 N 4.67 0.00 0.00 3.21 3.38 -1.54 0.46 115.31 125.49 2i6a h LEU 197 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2i6a h LEU 197 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2i6a h LEU 197 CO 0.43 0.16 0.00 -1.20 0.09 0.00 0.00 178.44 177.92 2i6a n SER 198 N -3.21 0.00 -3.80 -0.43 7.64 -1.26 -4.63 113.62 107.92 2i6a n SER 198 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.82 2i6a n SER 198 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 2i6a n SER 198 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i6a s ALA 199 N 0.00 -0.85 0.17 -0.43 0.00 -1.26 -4.99 121.76 114.40 2i6a s ALA 199 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2i6a s ALA 199 Cb 0.00 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.07 2i6a s ALA 199 CO 0.00 -0.98 1.42 -1.35 0.00 0.00 0.00 175.76 174.85 2i6a h PRO 200 N 2.07 0.41 0.00 0.00 0.11 -1.88 -3.29 132.00 129.42 2i6a h PRO 200 Ca -0.22 -0.34 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 2i6a h PRO 200 Cb 1.25 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2i6a h PRO 200 CO 0.28 0.99 -0.05 0.27 -0.21 0.00 0.00 178.00 179.28 2i6a h PHE 201 N 0.28 0.00 -0.24 0.65 -5.15 -1.92 -0.28 116.94 110.28 2i6a h PHE 201 Ca -0.03 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.73 2i6a h PHE 201 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.49 2i6a h PHE 201 CO 0.05 0.05 0.13 0.82 -2.00 0.00 0.00 178.31 177.36 2i6a h ILE 202 N 0.00 1.12 0.00 0.88 1.08 -1.83 -0.04 117.51 118.72 2i6a h ILE 202 Ca -0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2i6a h ILE 202 Cb 0.11 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 2i6a h ILE 202 CO 0.01 0.11 0.00 0.28 -0.69 0.00 0.00 178.15 177.86 2i6a h SER 203 N 0.28 0.00 0.09 1.72 0.02 -1.25 0.28 113.55 114.69 2i6a h SER 203 Ca 0.09 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.66 2i6a h SER 203 Cb 0.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2i6a h SER 203 CO -0.01 0.00 -2.19 0.00 -1.14 0.00 0.00 176.83 173.48 2i6a n GLN 204 N -2.46 0.71 -0.00 3.45 6.02 -0.67 -4.35 117.38 120.07 2i6a n GLN 204 Ca 0.03 0.21 0.04 0.00 -0.01 0.00 0.00 57.00 57.26 2i6a n GLN 204 Cb 0.31 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 2i6a n GLN 204 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2i6a n PHE 205 N -3.36 0.00 -1.55 1.08 3.72 -0.08 -4.63 117.46 112.64 2i6a n PHE 205 Ca -0.37 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.10 2i6a n PHE 205 Cb 1.03 -0.07 0.19 0.00 -0.94 0.00 0.00 39.48 39.69 2i6a n PHE 205 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2i6a n TYR 206 N -1.41 0.00 0.24 1.38 4.02 0.96 -4.75 117.16 117.60 2i6a n TYR 206 Ca 0.00 -1.35 0.10 0.00 -0.01 0.00 0.00 57.90 56.65 2i6a n TYR 206 Cb 0.15 -0.23 0.62 0.00 -0.02 0.00 0.00 39.34 39.87 2i6a n TYR 206 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 2i6a h LYS 207 N 0.81 0.00 0.55 -0.72 2.10 -1.72 -0.50 116.57 117.08 2i6a h LYS 207 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2i6a h LYS 207 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2i6a h LYS 207 CO 0.00 0.18 -0.28 1.49 -2.00 0.00 0.00 179.45 178.84 2i6a h GLU 208 N 0.00 -0.74 -0.19 0.07 4.81 -1.91 0.83 114.58 117.45 2i6a h GLU 208 Ca -0.00 0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2i6a h GLU 208 Cb 0.45 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2i6a h GLU 208 CO 0.02 -0.49 -0.41 0.77 -0.73 0.00 0.00 179.01 178.17 2i6a h SER 209 N -0.77 0.45 -0.37 1.04 0.02 -1.90 -1.60 113.55 110.43 2i6a h SER 209 Ca -0.07 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 2i6a h SER 209 Cb 0.60 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2i6a h SER 209 CO 0.11 0.81 -0.30 0.25 -1.14 0.00 0.00 176.83 176.56 2i6a h LEU 210 N 0.35 0.93 -0.52 5.07 5.85 -1.03 -2.02 115.31 123.96 2i6a h LEU 210 Ca 0.03 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.21 2i6a h LEU 210 Cb 0.87 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2i6a h LEU 210 CO 0.07 1.16 -0.74 0.24 -0.34 0.00 0.00 178.44 178.83 2i6a h MET 211 N 0.76 0.03 -0.07 1.25 2.86 -0.72 0.24 114.93 119.27 2i6a h MET 211 Ca 0.08 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2i6a h MET 211 Cb 0.86 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2i6a h MET 211 CO 0.08 0.75 -0.46 -0.22 1.06 0.00 0.00 176.91 178.12 2i6a h LYS 212 N 0.02 0.18 0.01 1.72 3.64 -1.14 -2.99 116.57 118.00 2i6a h LYS 212 Ca -0.01 -0.09 -0.27 0.00 -1.27 0.00 0.00 60.65 59.01 2i6a h LYS 212 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 2i6a h LYS 212 CO 0.10 0.61 -1.52 0.28 -2.27 0.00 0.00 179.45 176.64 2i6a h VAL 213 N 0.15 1.08 -1.02 2.00 2.07 -1.16 -3.40 116.25 115.96 2i6a h VAL 213 Ca 0.01 -2.89 0.27 0.00 0.82 0.00 0.00 66.70 64.91 2i6a h VAL 213 Cb 0.87 2.55 -0.12 0.00 -1.52 0.00 0.00 31.29 33.07 2i6a h VAL 213 CO 0.07 0.64 0.62 -0.03 0.02 0.00 0.00 177.57 178.88 2i6a h MET 214 N 0.00 0.47 0.00 1.57 1.85 -0.37 -1.50 114.93 116.96 2i6a h MET 214 Ca -0.21 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 2i6a h MET 214 Cb 1.95 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.87 2i6a h MET 214 CO 0.10 0.31 0.00 -2.30 -0.40 0.00 0.00 176.91 174.62 2i6a n PRO 215 N -4.84 0.13 0.00 0.39 -0.02 -1.26 -1.78 135.00 127.63 2i6a n PRO 215 Ca 0.28 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 2i6a n PRO 215 Cb 0.83 -1.82 0.03 0.00 -0.02 0.00 0.00 33.50 32.53 2i6a n PRO 215 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2i6a n TYR 216 N -2.08 0.00 -2.66 6.00 4.02 -0.57 -0.45 117.16 121.42 2i6a n TYR 216 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2i6a n TYR 216 Cb 0.12 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 2i6a n TYR 216 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2i6a s VAL 217 N -2.49 4.09 0.21 -0.72 1.01 -0.73 -4.64 120.40 117.13 2i6a s VAL 217 Ca 0.19 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.82 2i6a s VAL 217 Cb 0.18 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 2i6a s VAL 217 CO 0.57 -1.37 1.49 0.44 0.00 0.00 0.00 175.10 176.23 2i6a h ASP 218 N 9.56 0.09 -3.33 3.32 3.32 -0.88 -3.43 116.42 125.07 2i6a h ASP 218 Ca -0.26 -0.07 -0.34 0.00 0.02 0.00 0.00 57.03 56.39 2i6a h ASP 218 Cb 1.06 -0.03 -0.37 0.00 0.22 0.00 0.00 39.33 40.21 2i6a h ASP 218 CO 1.18 0.80 -0.72 -0.63 -1.72 0.00 0.00 179.24 178.15 2i6a s ILE 219 N -3.36 -0.12 -0.15 0.35 1.01 -1.05 -1.06 121.20 116.81 2i6a s ILE 219 Ca -0.02 0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 2i6a s ILE 219 Cb 0.11 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.40 2i6a s ILE 219 CO 0.79 0.15 -0.08 -0.22 0.00 0.00 0.00 174.94 175.59 2i6a s LEU 220 N 1.91 2.97 0.38 2.97 2.96 0.51 -2.51 118.68 127.88 2i6a s LEU 220 Ca 0.01 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2i6a s LEU 220 Cb -0.12 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2i6a s LEU 220 CO -0.04 0.14 0.16 -0.36 -1.32 0.00 0.00 176.35 174.94 2i6a s PHE 221 N 0.52 2.64 0.00 5.38 0.40 -0.54 -0.09 117.98 126.29 2i6a s PHE 221 Ca -0.06 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2i6a s PHE 221 Cb -0.15 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2i6a s PHE 221 CO 0.03 0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.61 2i6a n GLY 222 N -1.20 0.79 2.89 4.36 0.00 -0.93 -1.21 105.19 109.89 2i6a n GLY 222 Ca -0.02 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 2i6a n GLY 222 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i6a n ASN 223 N 0.00 2.32 -0.15 1.61 2.04 -1.26 -1.13 115.26 118.69 2i6a n ASN 223 Ca 0.00 -2.43 -0.09 0.00 -0.44 0.00 0.00 54.58 51.62 2i6a n ASN 223 Cb 0.00 -0.04 -0.00 0.00 -2.53 0.00 0.00 39.78 37.21 2i6a n ASN 223 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2i6a h GLU 224 N 0.00 0.68 -0.16 -3.83 -0.00 -1.40 0.43 114.58 110.30 2i6a h GLU 224 Ca -0.26 -0.14 -0.06 0.00 -0.00 0.00 0.00 59.36 58.90 2i6a h GLU 224 Cb 0.96 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.60 2i6a h GLU 224 CO 0.41 0.64 -0.17 1.79 -0.00 0.00 0.00 179.01 181.68 2i6a h THR 225 N 0.57 1.20 -0.05 -1.06 1.35 -1.97 0.11 112.91 113.07 2i6a h THR 225 Ca 0.14 -0.91 -0.19 0.00 -0.55 0.00 0.00 66.41 64.90 2i6a h THR 225 Cb 0.23 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2i6a h THR 225 CO -0.01 0.28 -0.80 -0.33 -0.25 0.00 0.00 175.52 174.42 2i6a h GLU 226 N 0.24 0.38 -0.28 4.72 5.08 -1.80 -2.21 114.58 120.72 2i6a h GLU 226 Ca 0.05 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 2i6a h GLU 226 Cb 0.45 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2i6a h GLU 226 CO 0.03 1.00 -0.45 0.00 -1.00 0.00 0.00 179.01 178.59 2i6a h ALA 227 N 0.89 0.69 -0.18 3.43 0.00 -0.56 -0.38 119.26 123.16 2i6a h ALA 227 Ca -0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2i6a h ALA 227 Cb 1.39 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2i6a h ALA 227 CO 0.13 0.67 -0.60 0.00 0.00 0.00 0.00 179.25 179.45 2i6a h ALA 228 N 0.93 0.31 -0.61 0.00 0.00 -0.78 -1.36 119.26 117.75 2i6a h ALA 228 Ca 0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2i6a h ALA 228 Cb 1.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2i6a h ALA 228 CO 0.09 0.56 0.02 1.15 0.00 0.00 0.00 179.25 181.07 2i6a h THR 229 N 0.43 1.27 -0.23 0.00 2.02 -1.40 -2.48 112.91 112.52 2i6a h THR 229 Ca -0.03 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.04 2i6a h THR 229 Cb 1.23 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2i6a h THR 229 CO 0.13 0.41 0.09 0.15 0.37 0.00 0.00 175.52 176.67 2i6a h PHE 230 N 0.96 0.17 -0.70 3.16 3.57 -0.99 -1.55 116.94 121.56 2i6a h PHE 230 Ca 0.17 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2i6a h PHE 230 Cb 0.54 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2i6a h PHE 230 CO 0.04 0.09 0.46 0.00 -2.23 0.00 0.00 178.31 176.67 2i6a h ALA 231 N 1.13 1.60 0.29 2.41 0.00 -0.99 -0.39 119.26 123.31 2i6a h ALA 231 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2i6a h ALA 231 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2i6a h ALA 231 CO -0.08 0.32 -0.14 -0.09 0.00 0.00 0.00 179.25 179.26 2i6a h ARG 232 N 0.84 -0.37 -0.98 0.00 2.43 -1.14 0.56 114.38 115.72 2i6a h ARG 232 Ca 0.28 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.71 2i6a h ARG 232 Cb 0.07 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 2i6a h ARG 232 CO -0.08 -0.09 0.63 0.93 -1.51 0.00 0.00 179.97 179.85 2i6a h GLU 233 N -1.01 0.42 -0.07 0.20 4.39 -1.21 0.48 114.58 117.78 2i6a h GLU 233 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2i6a h GLU 233 Cb 0.45 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2i6a h GLU 233 CO 0.06 0.28 0.00 1.04 -1.16 0.00 0.00 179.01 179.23 2i6a n GLN 234 N -4.57 1.56 -1.03 2.33 1.13 -0.16 -4.92 117.38 111.71 2i6a n GLN 234 Ca 0.22 -0.83 -0.01 0.00 -1.94 0.00 0.00 57.00 54.45 2i6a n GLN 234 Cb 0.77 -1.43 -0.00 0.00 0.11 0.00 0.00 30.24 29.68 2i6a n GLN 234 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i6a n GLY 235 N 1.11 0.36 0.59 1.08 0.00 0.17 -4.91 105.19 103.59 2i6a n GLY 235 Ca 0.18 -0.06 0.42 0.00 0.00 0.00 0.00 46.02 46.56 2i6a n GLY 235 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2i6a h PHE 236 N 0.00 0.12 -5.42 1.61 -1.00 -0.14 -3.46 116.94 108.64 2i6a h PHE 236 Ca -0.02 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.57 2i6a h PHE 236 Cb 0.45 -0.03 0.16 0.00 3.61 0.00 0.00 35.95 40.14 2i6a h PHE 236 CO 0.27 -0.03 -0.67 0.39 -1.61 0.00 0.00 178.31 176.66 2i6a n GLU 237 N -4.19 -2.04 -3.65 1.51 1.02 -1.26 -5.02 120.64 107.01 2i6a n GLU 237 Ca 0.35 1.00 -0.02 0.00 -0.02 0.00 0.00 57.16 58.47 2i6a n GLU 237 Cb 1.57 -5.81 -0.07 0.00 -0.02 0.00 0.00 31.44 27.11 2i6a n GLU 237 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2i6a s THR 238 N -3.31 0.00 -1.45 2.62 -1.32 -1.26 -5.02 115.64 105.91 2i6a s THR 238 Ca 0.36 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.99 2i6a s THR 238 Cb -0.05 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.32 2i6a s THR 238 CO 0.74 0.00 1.29 0.29 -2.21 0.00 0.00 174.62 174.73 2i6a n LYS 239 N 2.07 2.51 -2.86 7.08 5.02 -1.26 -4.83 118.16 125.89 2i6a n LYS 239 Ca -0.12 -2.12 -0.43 0.00 -2.02 0.00 0.00 58.31 53.61 2i6a n LYS 239 Cb 0.57 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 2i6a n LYS 239 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i6a s ASP 240 N -1.06 6.49 0.18 4.39 3.68 -1.26 -4.98 116.67 124.10 2i6a s ASP 240 Ca 0.30 0.09 -0.20 0.00 2.13 0.00 0.00 52.55 54.86 2i6a s ASP 240 Cb 0.16 -2.43 0.11 0.00 -1.45 0.00 0.00 42.92 39.31 2i6a s ASP 240 CO 0.22 -1.00 1.60 -0.29 0.13 0.00 0.00 175.17 175.83 2i6a h ILE 241 N 6.04 0.26 -0.79 4.11 6.09 -1.98 0.43 117.51 131.67 2i6a h ILE 241 Ca -0.24 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.31 2i6a h ILE 241 Cb 1.08 0.26 -0.06 0.00 0.47 0.00 0.00 36.82 38.57 2i6a h ILE 241 CO 1.01 0.00 0.48 0.11 -3.07 0.00 0.00 178.15 176.68 2i6a h LYS 242 N -0.17 0.85 -0.39 2.19 1.57 -1.99 0.39 116.57 119.02 2i6a h LYS 242 Ca 0.21 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 2i6a h LYS 242 Cb 0.52 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2i6a h LYS 242 CO -0.59 0.57 -0.18 1.49 -0.57 0.00 0.00 179.45 180.17 2i6a h GLU 243 N 0.88 0.74 -0.44 3.15 4.57 -1.68 -0.81 114.58 120.99 2i6a h GLU 243 Ca 0.35 -0.27 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 2i6a h GLU 243 Cb 0.17 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2i6a h GLU 243 CO -0.17 0.87 -0.20 0.82 -1.18 0.00 0.00 179.01 179.15 2i6a h ILE 244 N 0.66 1.27 -0.56 2.32 2.04 0.60 -1.38 117.51 122.46 2i6a h ILE 244 Ca 0.10 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 2i6a h ILE 244 Cb 0.67 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2i6a h ILE 244 CO 0.05 0.45 0.26 0.00 0.00 0.00 0.00 178.15 178.91 2i6a h ALA 245 N 1.01 0.72 -0.52 1.87 0.00 -0.05 -1.98 119.26 120.31 2i6a h ALA 245 Ca 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2i6a h ALA 245 Cb 0.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2i6a h ALA 245 CO 0.06 0.29 0.12 -0.22 0.00 0.00 0.00 179.25 179.50 2i6a h LYS 246 N 0.75 0.83 -0.17 0.00 3.64 -0.93 -0.38 116.57 120.31 2i6a h LYS 246 Ca 0.19 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 2i6a h LYS 246 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2i6a h LYS 246 CO -0.02 0.80 -0.47 0.87 -2.27 0.00 0.00 179.45 178.35 2i6a h LYS 247 N 0.72 0.44 -0.21 1.90 1.57 -1.20 -2.86 116.57 116.93 2i6a h LYS 247 Ca 0.16 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2i6a h LYS 247 Cb 0.35 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2i6a h LYS 247 CO 0.00 0.82 -0.31 1.15 -0.57 0.00 0.00 179.45 180.54 2i6a h THR 248 N 0.35 1.33 -0.08 -0.16 2.02 -1.22 -2.89 112.91 112.26 2i6a h THR 248 Ca 0.02 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 65.69 2i6a h THR 248 Cb 0.96 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2i6a h THR 248 CO 0.08 0.47 0.06 0.06 0.37 0.00 0.00 175.52 176.56 2i6a h GLN 249 N 0.27 0.07 -0.05 6.66 -0.00 -1.04 -2.50 115.11 118.53 2i6a h GLN 249 Ca 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2i6a h GLN 249 Cb 0.89 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.35 2i6a h GLN 249 CO 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 178.83 178.95 2i6a n ALA 250 N -2.54 2.59 -1.66 0.06 0.00 -1.08 -4.53 120.51 113.35 2i6a n ALA 250 Ca -0.02 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 2i6a n ALA 250 Cb 0.11 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.38 2i6a n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2i6a s LEU 251 N -1.84 3.54 0.14 0.00 1.43 -0.94 -4.89 118.68 116.12 2i6a s LEU 251 Ca 0.37 2.53 -0.34 0.00 -1.03 0.00 0.00 54.13 55.66 2i6a s LEU 251 Cb 0.19 -4.61 -0.16 0.00 0.03 0.00 0.00 46.19 41.64 2i6a s LEU 251 CO 0.31 -1.98 1.22 -2.65 0.23 0.00 0.00 176.35 173.48 2i6a n PRO 252 N -2.00 1.12 -5.16 1.29 -0.02 -1.26 -4.98 135.00 123.99 2i6a n PRO 252 Ca 0.15 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 2i6a n PRO 252 Cb 0.49 -1.95 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 2i6a n PRO 252 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2i6a s LYS 253 N -0.04 2.37 -0.06 -0.52 2.20 -1.26 -4.04 119.74 118.39 2i6a s LYS 253 Ca 0.78 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 55.34 2i6a s LYS 253 Cb -0.90 -2.02 -0.17 0.00 -1.51 0.00 0.00 37.83 33.23 2i6a s LYS 253 CO 0.50 0.35 0.87 1.98 -0.36 0.00 0.00 175.35 178.69 2i6a h MET 254 N 6.12 -0.15 -5.66 4.03 4.05 -1.12 -3.42 114.93 118.77 2i6a h MET 254 Ca -0.32 0.01 -0.63 0.00 -0.28 0.00 0.00 59.70 58.48 2i6a h MET 254 Cb 1.18 0.03 -0.14 0.00 -0.80 0.00 0.00 31.60 31.87 2i6a h MET 254 CO 0.47 0.33 0.32 1.21 0.23 0.00 0.00 176.91 179.48 2i6a s ASN 255 N -5.59 6.37 0.00 1.39 2.47 -1.26 -4.91 114.94 113.41 2i6a s ASN 255 Ca -0.13 -0.25 0.22 0.00 0.42 0.00 0.00 52.86 53.11 2i6a s ASN 255 Cb 0.00 -2.37 0.97 0.00 -1.45 0.00 0.00 41.25 38.40 2i6a s ASN 255 CO 0.50 -0.94 1.70 -1.54 -3.72 0.00 0.00 177.10 173.10 2i6a n SER 256 N 6.71 0.00 0.11 -4.21 3.41 -1.26 -3.31 113.62 115.07 2i6a n SER 256 Ca 0.01 0.36 -0.02 0.00 -0.26 0.00 0.00 58.87 58.96 2i6a n SER 256 Cb 0.48 -0.44 0.23 0.00 -0.26 0.00 0.00 64.21 64.21 2i6a n SER 256 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2i6a h LYS 257 N 0.00 0.17 -4.97 4.33 1.57 -1.99 -3.41 116.57 112.27 2i6a h LYS 257 Ca 0.00 -0.09 -0.67 0.00 -1.87 0.00 0.00 60.65 58.03 2i6a h LYS 257 Cb 0.33 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.32 2i6a h LYS 257 CO 0.00 0.59 -0.78 1.03 -0.57 0.00 0.00 179.45 179.72 2i6a s ARG 258 N -4.03 2.96 0.45 3.15 0.52 -1.21 -5.11 118.95 115.68 2i6a s ARG 258 Ca -0.04 -0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 54.08 2i6a s ARG 258 Cb 0.13 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 2i6a s ARG 258 CO 0.77 -0.31 1.02 -1.14 0.02 0.00 0.00 175.30 175.66 2i6a s GLN 259 N 1.33 3.99 0.95 3.54 2.00 -1.26 -4.91 119.66 125.30 2i6a s GLN 259 Ca 0.02 1.35 -0.11 0.00 -2.00 0.00 0.00 55.36 54.63 2i6a s GLN 259 Cb -0.15 -2.24 0.16 0.00 0.80 0.00 0.00 33.01 31.58 2i6a s GLN 259 CO -0.07 -0.26 1.10 0.50 -0.50 0.00 0.00 175.29 176.06 2i6a s ARG 260 N -3.01 0.78 -0.04 1.67 3.52 -1.26 -4.92 118.95 115.70 2i6a s ARG 260 Ca 0.63 1.21 -0.01 0.00 -0.13 0.00 0.00 55.73 57.43 2i6a s ARG 260 Cb -0.16 -1.72 0.03 0.00 -1.56 0.00 0.00 34.95 31.53 2i6a s ARG 260 CO 0.21 -2.68 0.07 0.42 -0.81 0.00 0.00 175.30 172.51 2i6a s ILE 261 N -2.69 -0.05 -0.18 4.11 1.01 -0.23 -4.37 121.20 118.81 2i6a s ILE 261 Ca 0.66 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.50 2i6a s ILE 261 Cb -0.22 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.15 2i6a s ILE 261 CO 0.59 0.07 -0.15 -0.69 0.00 0.00 0.00 174.94 174.77 2i6a s VAL 262 N 0.99 1.76 -0.13 2.92 1.01 -0.77 -0.36 120.40 125.81 2i6a s VAL 262 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2i6a s VAL 262 Cb -0.11 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2i6a s VAL 262 CO -0.04 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.61 2i6a s ILE 263 N 1.39 1.89 -0.08 2.22 1.01 0.87 -1.38 121.20 127.11 2i6a s ILE 263 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.85 2i6a s ILE 263 Cb -0.14 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2i6a s ILE 263 CO -0.10 0.52 -0.24 -0.36 0.00 0.00 0.00 174.94 174.75 2i6a s PHE 264 N 0.90 2.50 0.17 3.97 0.08 0.10 -2.20 117.98 123.51 2i6a s PHE 264 Ca -0.06 -0.83 -0.02 0.00 0.12 0.00 0.00 56.93 56.13 2i6a s PHE 264 Cb -0.15 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 2i6a s PHE 264 CO -0.02 -0.28 0.38 0.95 -0.10 0.00 0.00 175.22 176.14 2i6a s THR 265 N 0.03 5.20 -0.30 0.64 -4.23 -0.28 -0.97 115.64 115.73 2i6a s THR 265 Ca -0.09 -0.21 0.18 0.00 -1.18 0.00 0.00 61.69 60.39 2i6a s THR 265 Cb -0.15 -3.69 0.48 0.00 1.34 0.00 0.00 72.50 70.48 2i6a s THR 265 CO 0.06 -0.08 1.07 0.00 -0.54 0.00 0.00 174.62 175.13 2i6a n GLN 266 N -0.34 1.95 0.00 3.99 6.02 -1.24 -0.94 117.38 126.82 2i6a n GLN 266 Ca -0.04 -3.60 0.00 0.00 -0.01 0.00 0.00 57.00 53.35 2i6a n GLN 266 Cb 0.53 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2i6a n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i6a n GLY 267 N -0.44 2.87 0.29 1.08 0.00 -1.26 -0.51 105.19 107.22 2i6a n GLY 267 Ca 0.15 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2i6a n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i6a n ARG 268 N 8.83 1.25 -3.69 1.61 1.74 -1.26 -4.84 116.66 120.31 2i6a n ARG 268 Ca 0.00 -0.59 -0.35 0.00 -0.77 0.00 0.00 57.85 56.14 2i6a n ARG 268 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 2i6a n ARG 268 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2i6a s ASP 269 N -2.15 6.56 0.10 0.55 1.01 0.33 -4.66 116.67 118.41 2i6a s ASP 269 Ca 0.36 0.66 -0.16 0.00 0.71 0.00 0.00 52.55 54.12 2i6a s ASP 269 Cb 0.21 -2.13 -0.09 0.00 1.01 0.00 0.00 42.92 41.92 2i6a s ASP 269 CO 0.39 0.24 0.30 0.47 0.21 0.00 0.00 175.17 176.78 2i6a n ASP 270 N 1.15 -0.65 -4.75 0.27 8.00 -1.26 -3.64 116.55 115.68 2i6a n ASP 270 Ca -0.11 0.62 -0.40 0.00 0.71 0.00 0.00 54.79 55.61 2i6a n ASP 270 Cb 0.53 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 2i6a n ASP 270 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2i6a s THR 271 N -0.52 4.40 -0.21 -3.53 2.01 0.15 -4.28 115.64 113.66 2i6a s THR 271 Ca 0.36 1.92 -0.06 0.00 0.31 0.00 0.00 61.69 64.21 2i6a s THR 271 Cb -0.52 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 67.71 2i6a s THR 271 CO 0.31 0.42 0.04 -0.63 -0.69 0.00 0.00 174.62 174.06 2i6a s ILE 272 N -0.57 4.30 -0.11 1.82 1.09 -0.14 -0.71 121.20 126.89 2i6a s ILE 272 Ca 0.41 -0.19 0.03 0.00 -1.10 0.00 0.00 60.65 59.80 2i6a s ILE 272 Cb -0.23 -2.97 -0.00 0.00 -1.06 0.00 0.00 42.46 38.20 2i6a s ILE 272 CO 0.28 0.40 -0.21 -0.32 -0.10 0.00 0.00 174.94 175.00 2i6a s MET 273 N 1.03 3.14 -0.13 2.79 -2.45 -0.35 -0.72 119.30 122.61 2i6a s MET 273 Ca 0.03 -0.83 0.02 0.00 -1.25 0.00 0.00 55.69 53.67 2i6a s MET 273 Cb -0.14 -2.39 -0.00 0.00 1.25 0.00 0.00 34.83 33.55 2i6a s MET 273 CO 0.02 0.19 -0.20 0.00 1.05 0.00 0.00 175.02 176.08 2i6a s ALA 274 N 0.35 2.34 0.44 4.11 0.00 -0.48 -0.37 121.76 128.15 2i6a s ALA 274 Ca -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2i6a s ALA 274 Cb -0.17 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 2i6a s ALA 274 CO 0.08 0.12 0.00 0.25 0.00 0.00 0.00 175.76 176.21 2i6a n THR 275 N 3.80 0.00 -0.06 0.00 -2.24 0.15 -1.85 114.28 114.08 2i6a n THR 275 Ca -0.19 -2.10 -0.02 0.00 -2.27 0.00 0.00 64.05 59.47 2i6a n THR 275 Cb 0.52 0.43 0.24 0.00 -2.10 0.00 0.00 70.33 69.42 2i6a n THR 275 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2i6a h GLU 276 N 0.00 0.66 0.67 -0.78 4.81 -1.94 -3.19 114.58 114.82 2i6a h GLU 276 Ca -0.37 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2i6a h GLU 276 Cb 1.12 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.41 2i6a h GLU 276 CO 0.61 0.65 -0.32 0.77 -0.73 0.00 0.00 179.01 179.99 2i6a h SER 277 N 0.64 -0.76 -2.48 1.04 0.02 -1.96 -3.49 113.55 106.55 2i6a h SER 277 Ca 0.14 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2i6a h SER 277 Cb 0.33 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2i6a h SER 277 CO 0.01 -0.40 0.32 -0.62 -1.14 0.00 0.00 176.83 175.00 2i6a n GLU 278 N -5.25 0.80 -4.40 3.45 1.02 -1.20 -5.15 120.64 109.91 2i6a n GLU 278 Ca -0.11 -1.62 -0.34 0.00 -0.02 0.00 0.00 57.16 55.07 2i6a n GLU 278 Cb 0.36 2.07 -0.14 0.00 -0.02 0.00 0.00 31.44 33.70 2i6a n GLU 278 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i6a s VAL 279 N -2.22 3.03 0.20 2.62 1.01 -1.26 0.33 120.40 124.11 2i6a s VAL 279 Ca 0.15 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.59 2i6a s VAL 279 Cb -0.03 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2i6a s VAL 279 CO 0.08 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.59 2i6a s THR 280 N 0.85 2.07 0.06 3.92 2.01 0.50 -4.98 115.64 120.08 2i6a s THR 280 Ca -0.03 -2.08 0.08 0.00 0.31 0.00 0.00 61.69 59.96 2i6a s THR 280 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2i6a s THR 280 CO 0.00 -0.32 -0.19 0.00 -0.69 0.00 0.00 174.62 173.42 2i6a s ALA 281 N -2.18 2.59 -0.08 7.40 0.00 -1.26 -1.21 121.76 127.02 2i6a s ALA 281 Ca 0.21 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 2i6a s ALA 281 Cb -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.40 2i6a s ALA 281 CO 0.09 0.57 -0.05 -0.06 0.00 0.00 0.00 175.76 176.31 2i6a s PHE 282 N -0.98 1.10 0.55 0.00 0.08 0.12 -4.91 117.98 113.94 2i6a s PHE 282 Ca 0.15 -0.45 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 2i6a s PHE 282 Cb -0.10 -0.98 -0.06 0.00 -0.57 0.00 0.00 43.02 41.31 2i6a s PHE 282 CO 0.06 -0.37 1.10 0.00 -0.10 0.00 0.00 175.22 175.91 2i6a s ALA 283 N 1.52 2.72 0.44 5.36 0.00 -1.26 0.30 121.76 130.83 2i6a s ALA 283 Ca -0.00 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 2i6a s ALA 283 Cb -0.13 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2i6a s ALA 283 CO -0.04 -0.72 0.78 0.08 0.00 0.00 0.00 175.76 175.86 2i6a s VAL 284 N -1.96 4.83 0.08 0.00 1.01 -1.26 -4.86 120.40 118.24 2i6a s VAL 284 Ca 0.70 0.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.83 2i6a s VAL 284 Cb -0.21 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2i6a s VAL 284 CO 0.28 -0.66 1.79 -0.76 0.00 0.00 0.00 175.10 175.75 2i6a s LEU 285 N -4.21 4.39 0.00 3.92 1.43 -1.26 -4.81 118.68 118.14 2i6a s LEU 285 Ca 0.50 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 2i6a s LEU 285 Cb -0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2i6a s LEU 285 CO 0.37 -0.97 0.20 0.47 0.23 0.00 0.00 176.35 176.64 2i6a n ASP 286 N 6.14 0.00 -0.85 2.29 8.00 -1.26 -4.44 116.55 126.43 2i6a n ASP 286 Ca 0.18 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2i6a n ASP 286 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 2i6a n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i6a n GLN 287 N 2.12 0.72 -0.72 -1.24 10.64 -1.26 -4.91 117.38 122.73 2i6a n GLN 287 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 2i6a n GLN 287 Cb 0.00 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 2i6a n GLN 287 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2i6a n ASP 288 N 0.49 -1.98 0.00 2.61 8.00 -1.26 -3.23 116.55 121.18 2i6a n ASP 288 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2i6a n ASP 288 Cb 0.31 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2i6a n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i6a n GLN 289 N 1.91 0.00 0.06 -1.24 10.64 -1.26 -4.75 117.38 122.73 2i6a n GLN 289 Ca -0.00 0.00 0.21 0.00 -1.83 0.00 0.00 57.00 55.38 2i6a n GLN 289 Cb 0.11 -3.62 0.74 0.00 -0.86 0.00 0.00 30.24 26.61 2i6a n GLN 289 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 2i6a h LYS 290 N 0.00 0.00 0.00 2.61 5.09 -1.97 -3.44 116.57 118.86 2i6a h LYS 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2i6a h LYS 290 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2i6a h LYS 290 CO 0.00 0.00 0.00 -0.85 -2.09 0.00 0.00 179.45 176.51 2i6a n GLU 291 N -3.81 0.00 -0.35 0.07 0.28 -1.26 -3.87 120.64 111.70 2i6a n GLU 291 Ca 0.09 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.82 2i6a n GLU 291 Cb 0.65 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.46 2i6a n GLU 291 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2i6a n ILE 292 N 0.00 0.19 -4.07 3.84 5.41 -1.26 -4.79 119.36 118.68 2i6a n ILE 292 Ca 0.00 -0.14 -0.32 0.00 1.00 0.00 0.00 62.75 63.29 2i6a n ILE 292 Cb 0.00 -1.83 -0.15 0.00 -0.71 0.00 0.00 39.64 36.95 2i6a n ILE 292 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2i6a s ILE 293 N 5.99 2.17 -0.60 1.39 -4.36 -1.25 -4.95 121.20 119.59 2i6a s ILE 293 Ca 0.41 -1.53 -0.26 0.00 -0.26 0.00 0.00 60.65 59.01 2i6a s ILE 293 Cb 0.09 -2.23 -0.10 0.00 1.25 0.00 0.00 42.46 41.47 2i6a s ILE 293 CO 0.19 0.05 2.44 -0.67 0.24 0.00 0.00 174.94 177.19 2i6a n ASP 294 N 4.46 1.94 -0.31 4.36 4.64 -1.26 -4.80 116.55 125.58 2i6a n ASP 294 Ca -0.15 -0.62 0.13 0.00 -1.38 0.00 0.00 54.79 52.77 2i6a n ASP 294 Cb 0.43 -1.51 0.36 0.00 -1.04 0.00 0.00 41.12 39.36 2i6a n ASP 294 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 2i6a h THR 295 N 7.72 0.78 0.23 5.18 2.02 -1.96 0.23 112.91 127.11 2i6a h THR 295 Ca -0.17 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2i6a h THR 295 Cb 1.22 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2i6a h THR 295 CO 1.17 0.13 -0.11 0.78 0.37 0.00 0.00 175.52 177.86 2i6a h ASN 296 N 0.72 -0.26 -0.75 4.18 -0.26 -2.00 -2.50 115.58 114.71 2i6a h ASN 296 Ca 0.50 -0.25 0.13 0.00 -0.56 0.00 0.00 56.30 56.13 2i6a h ASN 296 Cb 0.81 0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 38.09 2i6a h ASN 296 CO -0.27 0.16 0.50 1.23 -1.06 0.00 0.00 177.43 177.99 2i6a h GLY 297 N -0.74 0.78 1.18 2.83 0.00 -1.84 -0.02 103.07 105.26 2i6a h GLY 297 Ca -0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 2i6a h GLY 297 CO 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.66 2i6a h ALA 298 N 1.64 0.92 -0.83 3.60 0.00 -0.91 -0.78 119.26 122.90 2i6a h ALA 298 Ca 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2i6a h ALA 298 Cb 0.75 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2i6a h ALA 298 CO -0.12 0.64 0.40 0.78 0.00 0.00 0.00 179.25 180.95 2i6a h GLY 299 N 0.99 1.27 0.97 0.00 0.00 -0.55 0.21 103.07 105.96 2i6a h GLY 299 Ca 0.16 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 2i6a h GLY 299 CO 0.03 0.59 -0.21 -0.55 0.00 0.00 0.00 176.54 176.41 2i6a h ASP 300 N 1.18 0.75 -0.60 0.19 3.32 -1.10 -2.39 116.42 117.77 2i6a h ASP 300 Ca 0.29 -0.43 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 2i6a h ASP 300 Cb 0.11 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2i6a h ASP 300 CO -0.04 1.02 0.11 0.00 -1.72 0.00 0.00 179.24 178.61 2i6a h ALA 301 N 0.76 1.01 -0.01 3.45 0.00 -0.95 -2.42 119.26 121.10 2i6a h ALA 301 Ca 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2i6a h ALA 301 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2i6a h ALA 301 CO 0.06 0.63 -0.07 0.35 0.00 0.00 0.00 179.25 180.22 2i6a h PHE 302 N 0.96 -0.17 -0.42 0.00 3.57 -0.43 -1.24 116.94 119.20 2i6a h PHE 302 Ca 0.19 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.75 2i6a h PHE 302 Cb 0.40 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 2i6a h PHE 302 CO 0.03 -0.11 0.14 0.28 -2.23 0.00 0.00 178.31 176.42 2i6a h VAL 303 N -0.12 0.86 -0.77 1.41 2.07 -1.31 0.01 116.25 118.40 2i6a h VAL 303 Ca 0.03 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.47 2i6a h VAL 303 Cb 0.16 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2i6a h VAL 303 CO -0.08 0.05 0.50 1.23 0.02 0.00 0.00 177.57 179.29 2i6a h GLY 304 N 0.30 1.10 0.90 2.17 0.00 -1.23 0.12 103.07 106.42 2i6a h GLY 304 Ca 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2i6a h GLY 304 CO -0.21 0.34 0.08 -1.33 0.00 0.00 0.00 176.54 175.42 2i6a h GLY 305 N 0.98 0.30 0.46 4.60 0.00 -0.55 -1.44 103.07 107.42 2i6a h GLY 305 Ca 0.30 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.51 2i6a h GLY 305 CO -0.09 0.15 -0.18 -2.75 0.00 0.00 0.00 176.54 173.66 2i6a h PHE 306 N 0.16 -0.47 -0.71 5.60 3.04 -0.44 -2.37 116.94 121.76 2i6a h PHE 306 Ca 0.06 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.08 2i6a h PHE 306 Cb 0.16 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 2i6a h PHE 306 CO -0.02 -0.26 0.46 -0.07 -2.02 0.00 0.00 178.31 176.41 2i6a h LEU 307 N -0.25 0.69 -1.90 0.59 3.38 -0.66 -1.33 115.31 115.84 2i6a h LEU 307 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2i6a h LEU 307 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2i6a h LEU 307 CO -0.23 0.47 0.00 0.77 0.09 0.00 0.00 178.44 179.53 2i6a h SER 308 N 0.80 0.00 0.00 -0.43 4.64 -0.70 -1.64 113.55 116.21 2i6a h SER 308 Ca 0.29 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.37 2i6a h SER 308 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 2i6a h SER 308 CO -0.09 0.00 -1.85 0.00 -0.87 0.00 0.00 176.83 174.03 2i6a n GLN 309 N -2.51 0.35 -0.30 4.77 1.13 -0.68 -4.55 117.38 115.59 2i6a n GLN 309 Ca -0.02 0.11 0.25 0.00 -1.94 0.00 0.00 57.00 55.40 2i6a n GLN 309 Cb 0.05 -1.18 0.56 0.00 0.11 0.00 0.00 30.24 29.78 2i6a n GLN 309 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2i6a h LEU 310 N -0.25 0.34 -2.28 1.08 7.12 -0.99 0.37 115.31 120.69 2i6a h LEU 310 Ca -0.36 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 57.70 2i6a h LEU 310 Cb 1.43 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.56 2i6a h LEU 310 CO -0.14 0.08 -0.05 1.62 -0.13 0.00 0.00 178.44 179.82 2i6a h VAL 311 N 0.30 0.34 -0.06 1.05 3.04 -1.54 -1.43 116.25 117.95 2i6a h VAL 311 Ca 0.56 -0.27 -0.02 0.00 -1.01 0.00 0.00 66.70 65.96 2i6a h VAL 311 Cb 1.60 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 2i6a h VAL 311 CO -0.21 0.05 -0.25 -1.54 -1.01 0.00 0.00 177.57 174.61 2i6a n SER 312 N -3.47 2.16 -1.39 3.17 3.41 0.13 -4.97 113.62 112.65 2i6a n SER 312 Ca -0.02 -3.56 -0.18 0.00 -0.26 0.00 0.00 58.87 54.84 2i6a n SER 312 Cb 0.17 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.53 2i6a n SER 312 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2i6a n ASP 313 N -1.19 -5.34 -4.66 4.04 8.00 -0.54 -4.98 116.55 111.88 2i6a n ASP 313 Ca 0.20 0.45 -0.35 0.00 0.71 0.00 0.00 54.79 55.80 2i6a n ASP 313 Cb 0.73 -4.44 0.10 0.00 -0.02 0.00 0.00 41.12 37.49 2i6a n ASP 313 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2i6a n LYS 314 N -2.26 0.47 -1.67 -1.24 4.76 -1.14 -4.92 118.16 112.15 2i6a n LYS 314 Ca -0.18 0.22 -0.34 0.00 -2.87 0.00 0.00 58.31 55.14 2i6a n LYS 314 Cb 0.62 -2.36 0.06 0.00 -1.84 0.00 0.00 35.03 31.52 2i6a n LYS 314 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2i6a s PRO 315 N -3.67 2.53 0.30 1.97 0.02 -1.26 -4.68 135.00 130.21 2i6a s PRO 315 Ca 0.75 1.68 0.04 0.00 0.02 0.00 0.00 61.00 63.48 2i6a s PRO 315 Cb -0.33 -1.89 0.64 0.00 0.02 0.00 0.00 34.50 32.94 2i6a s PRO 315 CO 0.49 -1.51 1.82 -0.07 -0.33 0.00 0.00 177.00 177.39 2i6a h LEU 316 N 0.11 0.86 -1.68 -5.54 3.38 -1.99 0.47 115.31 110.92 2i6a h LEU 316 Ca -0.48 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2i6a h LEU 316 Cb 1.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2i6a h LEU 316 CO 0.52 0.41 0.12 0.74 0.09 0.00 0.00 178.44 180.32 2i6a h THR 317 N 0.89 1.09 0.00 0.22 2.02 -2.00 0.35 112.91 115.49 2i6a h THR 317 Ca 0.52 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 67.29 2i6a h THR 317 Cb 0.65 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2i6a h THR 317 CO -0.30 0.10 -0.86 -0.08 0.37 0.00 0.00 175.52 174.75 2i6a h GLU 318 N 0.34 0.00 -0.34 6.66 4.57 -0.47 -2.29 114.58 123.05 2i6a h GLU 318 Ca 0.09 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.16 2i6a h GLU 318 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2i6a h GLU 318 CO -0.01 0.77 -0.23 0.00 -1.18 0.00 0.00 179.01 178.36 2i6a h ILE 320 N 0.52 1.25 -0.43 0.00 2.04 -0.97 -1.91 117.51 118.01 2i6a h ILE 320 Ca 0.07 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 2i6a h ILE 320 Cb 0.78 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2i6a h ILE 320 CO 0.06 0.37 0.26 0.03 0.00 0.00 0.00 178.15 178.87 2i6a h ARG 321 N 0.78 0.58 0.00 2.37 3.08 -1.31 0.14 114.38 120.02 2i6a h ARG 321 Ca 0.15 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 2i6a h ARG 321 Cb 0.49 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2i6a h ARG 321 CO 0.02 0.43 -0.69 0.00 -1.07 0.00 0.00 179.97 178.66 2i6a h ALA 322 N 1.12 0.69 -0.26 0.04 0.00 -1.44 -2.00 119.26 117.40 2i6a h ALA 322 Ca 0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2i6a h ALA 322 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2i6a h ALA 322 CO -0.03 0.87 0.06 0.78 0.00 0.00 0.00 179.25 180.93 2i6a h GLY 323 N 2.64 0.46 1.67 0.00 0.00 -0.97 0.15 103.07 107.02 2i6a h GLY 323 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2i6a h GLY 323 CO 0.09 0.27 -0.05 0.45 0.00 0.00 0.00 176.54 177.30 2i6a h HIS 324 N 0.25 0.43 -0.02 5.60 -0.00 -0.64 -2.37 115.15 118.40 2i6a h HIS 324 Ca 0.08 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2i6a h HIS 324 Cb 0.29 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2i6a h HIS 324 CO 0.01 0.47 -0.02 -0.92 -0.00 0.00 0.00 177.93 177.47 2i6a h TYR 325 N 0.39 0.07 -0.84 2.45 3.20 -0.98 -2.99 116.97 118.27 2i6a h TYR 325 Ca 0.08 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2i6a h TYR 325 Cb 0.35 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2i6a h TYR 325 CO 0.01 0.54 0.53 0.00 -1.64 0.00 0.00 178.16 177.60 2i6a h ALA 326 N 0.51 1.34 -0.80 1.82 0.00 -0.62 -2.44 119.26 119.07 2i6a h ALA 326 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2i6a h ALA 326 Cb 0.53 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2i6a h ALA 326 CO 0.01 0.58 0.53 0.00 0.00 0.00 0.00 179.25 180.37 2i6a h ALA 327 N 1.43 1.56 0.12 0.00 0.00 -1.47 -1.90 119.26 119.01 2i6a h ALA 327 Ca 0.31 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.88 2i6a h ALA 327 Cb -0.08 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 17.48 2i6a h ALA 327 CO -0.06 0.34 -1.25 0.66 0.00 0.00 0.00 179.25 178.93 2i6a h SER 328 N 0.94 0.87 0.01 0.00 4.64 -1.29 -3.40 113.55 115.31 2i6a h SER 328 Ca 0.33 -0.80 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2i6a h SER 328 Cb 0.13 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2i6a h SER 328 CO -0.11 1.61 -0.00 0.40 -0.87 0.00 0.00 176.83 177.86 2i6a h ILE 329 N 0.27 0.00 -0.30 0.95 1.08 -1.44 -3.43 117.51 114.64 2i6a h ILE 329 Ca -0.19 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.16 2i6a h ILE 329 Cb 1.92 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 2i6a h ILE 329 CO 0.24 0.00 0.21 -0.38 -0.69 0.00 0.00 178.15 177.53 2i6a n ILE 330 N -2.25 0.00 -3.90 -0.67 2.08 -0.72 -4.88 119.36 109.02 2i6a n ILE 330 Ca -0.00 -0.49 -0.30 0.00 0.56 0.00 0.00 62.75 62.52 2i6a n ILE 330 Cb 0.00 -1.79 -0.16 0.00 -0.75 0.00 0.00 39.64 36.95 2i6a n ILE 330 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2i6a s ILE 331 N 13.40 1.35 0.16 1.39 1.01 -1.26 -4.76 121.20 132.49 2i6a s ILE 331 Ca 0.97 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 2i6a s ILE 331 Cb -0.20 -1.69 -0.07 0.00 0.01 0.00 0.00 42.46 40.51 2i6a s ILE 331 CO 0.13 -0.16 1.03 -0.13 0.00 0.00 0.00 174.94 175.80 2i6a s ARG 332 N 1.47 4.67 0.13 2.79 0.52 -1.26 -5.04 118.95 122.22 2i6a s ARG 332 Ca -0.04 1.59 0.03 0.00 -0.52 0.00 0.00 55.73 56.79 2i6a s ARG 332 Cb -0.18 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2i6a s ARG 332 CO -0.07 0.19 -0.07 1.03 0.02 0.00 0.00 175.30 176.40 2i6a s ARG 333 N -0.37 0.95 0.22 3.54 0.52 -1.26 -4.61 118.95 117.94 2i6a s ARG 333 Ca 0.47 -1.40 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 2i6a s ARG 333 Cb -0.27 -0.36 -0.08 0.00 0.52 0.00 0.00 34.95 34.76 2i6a s ARG 333 CO 0.33 -0.00 0.69 0.99 0.02 0.00 0.00 175.30 177.33 2i6a s THR 334 N -3.52 4.63 -0.71 0.02 2.01 -1.26 -4.35 115.64 112.47 2i6a s THR 334 Ca 0.15 1.16 -0.01 0.00 0.31 0.00 0.00 61.69 63.30 2i6a s THR 334 Cb 0.04 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2i6a s THR 334 CO -0.02 0.17 0.60 0.61 -0.69 0.00 0.00 174.62 175.29 2i6a n GLY 335 N 0.61 -0.15 0.60 4.40 0.00 -1.26 -4.96 105.19 104.43 2i6a n GLY 335 Ca -0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2i6a n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i6a s THR 337 N -2.15 5.00 0.24 0.00 -4.23 -1.26 -5.11 115.64 108.14 2i6a s THR 337 Ca -0.11 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 2i6a s THR 337 Cb 0.04 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 2i6a s THR 337 CO 0.15 -0.48 0.30 -0.36 -0.54 0.00 0.00 174.62 173.69 2i6a s PHE 338 N -2.27 3.33 0.28 3.99 2.99 -1.26 -5.07 117.98 119.98 2i6a s PHE 338 Ca 0.44 -0.05 -0.29 0.00 0.00 0.00 0.00 56.93 57.03 2i6a s PHE 338 Cb -0.10 -1.51 -0.10 0.00 0.00 0.00 0.00 43.02 41.31 2i6a s PHE 338 CO 0.34 0.47 1.35 -2.14 -0.00 0.00 0.00 175.22 175.24 2i6a s PRO 339 N -3.93 4.33 0.18 0.24 0.02 -1.26 -4.92 135.00 129.66 2i6a s PRO 339 Ca 0.34 2.22 -0.15 0.00 0.02 0.00 0.00 61.00 63.43 2i6a s PRO 339 Cb -0.09 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.48 2i6a s PRO 339 CO 0.28 -0.27 1.70 0.93 -0.33 0.00 0.00 177.00 179.30 2i6a h GLU 340 N 4.21 0.13 -6.39 5.54 5.08 -1.99 -3.41 114.58 117.76 2i6a h GLU 340 Ca -0.47 -0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.26 2i6a h GLU 340 Cb 1.22 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 2i6a h GLU 340 CO 0.71 0.09 -0.68 0.15 -1.00 0.00 0.00 179.01 178.28 2i6a s LYS 341 N -6.17 2.29 0.78 2.33 -0.14 -1.26 -5.12 119.74 112.46 2i6a s LYS 341 Ca -0.13 -1.12 -0.11 0.00 -1.36 0.00 0.00 55.97 53.25 2i6a s LYS 341 Cb 0.15 -2.31 0.07 0.00 -1.68 0.00 0.00 37.83 34.06 2i6a s LYS 341 CO 0.72 0.46 1.14 -1.25 -0.76 0.00 0.00 175.35 175.66 2i6a s PRO 342 N -2.79 2.03 -0.48 -1.68 0.04 -1.26 -5.04 135.00 125.82 2i6a s PRO 342 Ca 0.26 0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.40 2i6a s PRO 342 Cb -0.09 -2.00 0.24 0.00 0.04 0.00 0.00 34.50 32.69 2i6a s PRO 342 CO 0.17 -1.51 0.58 -3.47 0.04 0.00 0.00 177.00 172.81 2i6a n ASP 343 N -3.22 1.33 -0.09 6.66 2.03 -1.26 -4.87 116.55 117.12 2i6a n ASP 343 Ca 0.08 -2.92 -0.15 0.00 0.52 0.00 0.00 54.79 52.32 2i6a n ASP 343 Cb 0.61 -0.65 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 2i6a n ASP 343 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2i6a n PHE 344 N 1.34 0.00 -0.98 -0.67 7.35 -1.26 -5.29 117.46 117.95 2i6a n PHE 344 Ca 0.24 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 2i6a n PHE 344 Cb 0.48 -0.68 0.00 0.00 0.35 0.00 0.00 39.48 39.63 2i6a n PHE 344 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72