#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m3i s SER 37 N 0.00 6.34 -0.05 1.08 0.15 -1.26 -2.94 113.70 117.01 1m3i s SER 37 Ca 0.00 1.73 -0.12 0.00 0.70 0.00 0.00 55.95 58.26 1m3i s SER 37 Cb 0.00 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1m3i s SER 37 CO 0.00 -0.78 0.47 0.40 1.20 0.00 0.00 173.24 174.53 1m3i h ILE 38 N 0.98 0.03 -0.59 6.45 2.04 -1.90 0.18 117.51 124.70 1m3i h ILE 38 Ca -0.48 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 64.78 1m3i h ILE 38 Cb 1.20 0.05 -0.12 0.00 -0.74 0.00 0.00 36.82 37.21 1m3i h ILE 38 CO 0.60 0.01 -0.22 0.44 0.00 0.00 0.00 178.15 178.97 1m3i h ASP 39 N -1.10 -0.79 0.06 1.72 3.32 -1.96 0.71 116.42 118.37 1m3i h ASP 39 Ca -0.04 0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1m3i h ASP 39 Cb 0.32 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1m3i h ASP 39 CO 0.07 -0.25 -0.12 0.28 -1.72 0.00 0.00 179.24 177.50 1m3i h SER 40 N -0.08 -0.33 -0.17 6.45 0.02 -1.98 -0.85 113.55 116.63 1m3i h SER 40 Ca 0.27 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1m3i h SER 40 Cb 0.50 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 1m3i h SER 40 CO -0.64 -0.18 -0.21 1.23 -1.14 0.00 0.00 176.83 175.88 1m3i h GLY 41 N -0.23 -0.17 0.96 -3.77 0.00 0.15 -2.14 103.07 97.86 1m3i h GLY 41 Ca 0.02 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1m3i h GLY 41 CO -0.08 -0.19 -0.24 -2.22 0.00 0.00 0.00 176.54 173.82 1m3i h ILE 42 N -0.25 0.51 0.00 2.60 2.04 0.38 -2.21 117.51 120.57 1m3i h ILE 42 Ca 0.11 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1m3i h ILE 42 Cb 0.42 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1m3i h ILE 42 CO -0.31 0.02 0.00 -1.20 0.00 0.00 0.00 178.15 176.65 1m3i n SER 43 N -5.35 0.00 -2.16 1.72 7.64 -0.33 -2.08 113.62 113.05 1m3i n SER 43 Ca -0.12 0.05 -0.28 0.00 1.01 0.00 0.00 58.87 59.53 1m3i n SER 43 Cb 0.29 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1m3i n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1m3i n SER 44 N -1.13 5.97 -4.41 6.43 7.64 -0.81 -5.00 113.62 122.32 1m3i n SER 44 Ca 0.02 -3.77 -0.32 0.00 1.01 0.00 0.00 58.87 55.81 1m3i n SER 44 Cb 0.02 -0.59 -0.14 0.00 -1.01 0.00 0.00 64.21 62.49 1m3i n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1m3i s LEU 45 N -3.69 2.51 -0.41 -3.43 1.43 -0.88 -5.00 118.68 109.21 1m3i s LEU 45 Ca 0.56 -0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 1m3i s LEU 45 Cb 0.45 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 45.19 1m3i s LEU 45 CO 0.00 0.31 0.38 -0.94 0.23 0.00 0.00 176.35 176.34 1m3i s SER 46 N -0.53 6.16 -0.26 2.29 1.04 -1.26 -5.04 113.70 116.10 1m3i s SER 46 Ca 0.07 -0.74 -0.22 0.00 0.48 0.00 0.00 55.95 55.55 1m3i s SER 46 Cb -0.11 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 63.88 1m3i s SER 46 CO 0.01 -0.52 0.69 -0.72 0.98 0.00 0.00 173.24 173.68 1m3i s TYR 47 N 1.96 -0.84 -0.99 5.02 -0.85 -1.26 -4.75 117.35 115.65 1m3i s TYR 47 Ca 0.09 1.92 -0.18 0.00 -0.52 0.00 0.00 57.07 58.38 1m3i s TYR 47 Cb -0.18 0.36 0.14 0.00 0.38 0.00 0.00 41.96 42.66 1m3i s TYR 47 CO 0.12 -0.41 1.19 1.21 -1.52 0.00 0.00 175.55 176.15 1m3i s ASN 48 N 0.72 6.71 0.17 -0.18 3.84 -1.26 -4.89 114.94 120.04 1m3i s ASN 48 Ca -0.03 -2.21 -0.06 0.00 0.21 0.00 0.00 52.86 50.78 1m3i s ASN 48 Cb -0.05 -2.40 0.27 0.00 -0.55 0.00 0.00 41.25 38.51 1m3i s ASN 48 CO -0.05 -1.01 0.95 -2.11 -2.79 0.00 0.00 177.10 172.09 1m3i n ARG 49 N 6.44 -0.06 0.00 0.43 -4.01 -1.26 0.24 116.66 118.43 1m3i n ARG 49 Ca 0.27 0.95 0.04 0.00 -1.04 0.00 0.00 57.85 58.07 1m3i n ARG 49 Cb 0.48 -1.42 0.20 0.00 -3.04 0.00 0.00 32.46 28.69 1m3i n ARG 49 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1m3i n ASN 50 N -4.98 0.00 -0.01 2.89 3.02 -1.26 -3.03 115.26 111.89 1m3i n ASN 50 Ca 0.09 0.24 0.01 0.00 -0.03 0.00 0.00 54.58 54.90 1m3i n ASN 50 Cb 0.30 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1m3i n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1m3i n GLU 51 N -1.34 1.04 -0.21 3.52 -0.58 0.65 -4.69 120.64 119.03 1m3i n GLU 51 Ca 0.04 -0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 1m3i n GLU 51 Cb 0.07 -1.10 0.36 0.00 -0.57 0.00 0.00 31.44 30.21 1m3i n GLU 51 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1m3i h VAL 52 N 0.00 0.96 -3.58 2.62 -1.51 -1.34 -3.34 116.25 110.06 1m3i h VAL 52 Ca -0.03 -0.25 -0.69 0.00 -1.23 0.00 0.00 66.70 64.50 1m3i h VAL 52 Cb 0.49 0.16 -0.34 0.00 -2.13 0.00 0.00 31.29 29.46 1m3i h VAL 52 CO 0.00 0.13 -0.60 -0.76 -1.23 0.00 0.00 177.57 175.11 1m3i s LEU 53 N -9.73 4.81 0.05 4.19 1.43 -1.26 -4.73 118.68 113.45 1m3i s LEU 53 Ca -0.10 -1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 51.07 1m3i s LEU 53 Cb 0.20 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1m3i s LEU 53 CO 0.78 -0.45 0.32 0.00 0.23 0.00 0.00 176.35 177.23 1m3i s ALA 54 N 1.17 -0.72 -0.05 4.21 0.00 -1.26 0.39 121.76 125.50 1m3i s ALA 54 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1m3i s ALA 54 Cb -0.22 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1m3i s ALA 54 CO -0.03 -0.43 -0.08 -1.54 0.00 0.00 0.00 175.76 173.68 1m3i s SER 55 N -2.12 1.26 -0.15 0.00 1.04 0.09 -4.89 113.70 108.93 1m3i s SER 55 Ca -0.04 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1m3i s SER 55 Cb -0.01 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.47 1m3i s SER 55 CO -0.04 -0.02 0.22 0.20 0.98 0.00 0.00 173.24 174.58 1m3i s ASN 56 N 0.80 6.39 -0.55 7.02 0.01 -1.26 -2.85 114.94 124.49 1m3i s ASN 56 Ca -0.13 0.46 -0.15 0.00 -0.71 0.00 0.00 52.86 52.33 1m3i s ASN 56 Cb -0.15 -2.13 0.13 0.00 0.41 0.00 0.00 41.25 39.51 1m3i s ASN 56 CO 0.02 0.22 0.50 -0.83 -1.51 0.00 0.00 177.10 175.49 1m3i s GLY 57 N -0.07 2.12 0.86 0.66 0.00 -0.75 -5.01 107.32 105.12 1m3i s GLY 57 Ca 0.14 -2.59 -0.15 0.00 0.00 0.00 0.00 44.72 42.13 1m3i s GLY 57 CO 0.03 1.19 -0.69 2.09 0.00 0.00 0.00 173.10 175.72 1m3i n ASP 58 N 5.12 -5.18 -3.86 1.64 5.68 -1.26 -3.77 116.55 114.93 1m3i n ASP 58 Ca -0.11 0.15 -0.21 0.00 -0.50 0.00 0.00 54.79 54.12 1m3i n ASP 58 Cb 0.40 -0.65 -0.17 0.00 -1.14 0.00 0.00 41.12 39.57 1m3i n ASP 58 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1m3i s LYS 59 N -1.71 0.81 -0.31 0.11 0.00 -1.26 -4.47 119.74 112.92 1m3i s LYS 59 Ca 0.34 -0.06 -0.08 0.00 0.00 0.00 0.00 55.97 56.17 1m3i s LYS 59 Cb -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 37.83 36.76 1m3i s LYS 59 CO 0.71 -0.15 0.11 -1.50 0.00 0.00 0.00 175.35 174.52 1m3i s ILE 60 N 1.25 4.23 -0.29 3.79 1.10 -1.26 -4.98 121.20 125.04 1m3i s ILE 60 Ca -0.06 -0.61 0.10 0.00 -0.51 0.00 0.00 60.65 59.57 1m3i s ILE 60 Cb -0.14 -3.18 0.53 0.00 0.15 0.00 0.00 42.46 39.82 1m3i s ILE 60 CO -0.02 0.06 1.51 1.21 -2.11 0.00 0.00 174.94 175.59 1m3i n GLU 61 N 4.92 2.11 -0.08 3.50 2.13 -1.26 -4.58 120.64 127.38 1m3i n GLU 61 Ca -0.14 -3.10 0.02 0.00 0.66 0.00 0.00 57.16 54.60 1m3i n GLU 61 Cb 0.48 -1.87 0.07 0.00 0.27 0.00 0.00 31.44 30.39 1m3i n GLU 61 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1m3i n SER 62 N -1.00 0.87 -4.74 4.31 2.88 -1.26 -4.92 113.62 109.76 1m3i n SER 62 Ca 0.34 -2.01 -0.41 0.00 -1.33 0.00 0.00 58.87 55.46 1m3i n SER 62 Cb 1.09 -0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 64.39 1m3i n SER 62 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1m3i s PHE 63 N -1.78 3.50 -0.35 0.66 -0.12 -1.26 -5.03 117.98 113.60 1m3i s PHE 63 Ca 0.10 1.52 -0.11 0.00 -0.05 0.00 0.00 56.93 58.40 1m3i s PHE 63 Cb 0.06 -3.36 0.01 0.00 -0.63 0.00 0.00 43.02 39.09 1m3i s PHE 63 CO 0.07 -0.92 0.19 0.08 -0.05 0.00 0.00 175.22 174.58 1m3i s VAL 64 N -0.27 4.63 0.28 -2.49 1.01 -1.26 -4.99 120.40 117.30 1m3i s VAL 64 Ca 0.50 -0.64 0.23 0.00 0.00 0.00 0.00 61.98 62.08 1m3i s VAL 64 Cb -0.31 -3.48 0.35 0.00 0.00 0.00 0.00 36.38 32.93 1m3i s VAL 64 CO 0.37 -0.10 0.90 -2.65 0.00 0.00 0.00 175.10 173.62 1m3i n PRO 65 N 5.00 -0.01 -3.75 2.72 -0.01 -1.26 -4.30 135.00 133.39 1m3i n PRO 65 Ca -0.13 0.68 -0.12 0.00 -0.01 0.00 0.00 63.50 63.92 1m3i n PRO 65 Cb 0.48 -1.43 -0.12 0.00 -0.01 0.00 0.00 33.50 32.41 1m3i n PRO 65 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 1m3i s LYS 66 N -4.35 0.25 0.10 -0.52 2.20 -1.26 -0.53 119.74 115.64 1m3i s LYS 66 Ca -0.04 0.47 0.04 0.00 -0.36 0.00 0.00 55.97 56.09 1m3i s LYS 66 Cb 0.17 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1m3i s LYS 66 CO 0.49 -0.11 -0.10 -2.00 -0.36 0.00 0.00 175.35 173.26 1m3i s GLU 67 N 0.84 0.86 -0.06 4.03 2.12 -0.40 -4.35 118.70 121.74 1m3i s GLU 67 Ca -0.06 -1.16 0.03 0.00 0.36 0.00 0.00 54.97 54.14 1m3i s GLU 67 Cb -0.07 -0.56 0.01 0.00 0.26 0.00 0.00 34.13 33.76 1m3i s GLU 67 CO -0.05 0.09 -0.15 0.20 -0.54 0.00 0.00 175.26 174.81 1m3i s GLY 68 N -2.43 0.86 0.03 -1.50 0.00 -1.26 -0.90 107.32 102.12 1m3i s GLY 68 Ca 0.05 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.27 1m3i s GLY 68 CO 0.00 -0.09 -0.10 0.54 0.00 0.00 0.00 173.10 173.45 1m3i s LYS 69 N 0.39 0.71 -0.31 2.90 1.02 0.20 -4.97 119.74 119.69 1m3i s LYS 69 Ca -0.10 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 1m3i s LYS 69 Cb -0.14 -0.64 0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1m3i s LYS 69 CO 0.03 0.15 0.02 0.15 -0.92 0.00 0.00 175.35 174.78 1m3i s LYS 70 N -1.09 2.46 -0.33 1.68 1.02 -1.26 0.46 119.74 122.68 1m3i s LYS 70 Ca -0.02 -1.25 0.04 0.00 0.02 0.00 0.00 55.97 54.76 1m3i s LYS 70 Cb -0.07 -3.22 0.10 0.00 -0.52 0.00 0.00 37.83 34.11 1m3i s LYS 70 CO 0.01 -0.63 0.04 0.00 -0.92 0.00 0.00 175.35 173.85 1m3i s ALA 71 N 1.28 2.85 0.00 5.17 0.00 -0.41 -5.00 121.76 125.64 1m3i s ALA 71 Ca -0.05 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1m3i s ALA 71 Cb -0.20 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1m3i s ALA 71 CO -0.00 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.51 1m3i n GLY 72 N 4.28 2.58 2.18 0.00 0.00 -1.26 -2.10 105.19 110.87 1m3i n GLY 72 Ca 0.03 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1m3i n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m3i n ASN 73 N 0.21 6.25 -3.48 1.61 4.13 -1.26 -4.77 115.26 117.96 1m3i n ASN 73 Ca 0.00 -2.45 -0.13 0.00 1.68 0.00 0.00 54.58 53.67 1m3i n ASN 73 Cb 0.00 -1.38 -0.04 0.00 -1.54 0.00 0.00 39.78 36.83 1m3i n ASN 73 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1m3i s LYS 74 N 1.71 1.09 -0.05 3.52 2.47 -0.89 -3.97 119.74 123.62 1m3i s LYS 74 Ca 0.63 -0.17 -0.02 0.00 -1.56 0.00 0.00 55.97 54.85 1m3i s LYS 74 Cb 0.24 0.51 0.03 0.00 -1.46 0.00 0.00 37.83 37.15 1m3i s LYS 74 CO -0.02 -0.43 0.07 0.12 0.16 0.00 0.00 175.35 175.24 1m3i s PHE 75 N -2.65 0.06 -0.15 4.03 5.36 -0.17 -1.29 117.98 123.18 1m3i s PHE 75 Ca -0.02 0.22 -0.05 0.00 -0.96 0.00 0.00 56.93 56.12 1m3i s PHE 75 Cb -0.01 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 42.15 1m3i s PHE 75 CO -0.04 -0.22 0.02 0.42 -1.46 0.00 0.00 175.22 173.95 1m3i s ILE 76 N 2.17 4.48 -0.12 3.12 -1.09 0.17 -0.92 121.20 129.02 1m3i s ILE 76 Ca 0.05 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1m3i s ILE 76 Cb -0.12 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1m3i s ILE 76 CO -0.04 0.51 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.42 1m3i s VAL 77 N -0.01 3.59 -0.21 2.92 1.01 0.50 0.60 120.40 128.80 1m3i s VAL 77 Ca 0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1m3i s VAL 77 Cb -0.13 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1m3i s VAL 77 CO 0.02 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 1m3i s VAL 78 N -0.08 1.02 0.10 2.92 1.01 -0.08 -0.20 120.40 125.09 1m3i s VAL 78 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1m3i s VAL 78 Cb -0.13 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.79 1m3i s VAL 78 CO 0.03 -0.12 0.63 -1.61 0.00 0.00 0.00 175.10 174.03 1m3i s GLU 79 N 1.63 4.31 -0.22 2.72 2.02 0.97 -1.28 118.70 128.85 1m3i s GLU 79 Ca -0.03 0.86 0.02 0.00 0.02 0.00 0.00 54.97 55.84 1m3i s GLU 79 Cb -0.18 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 30.85 1m3i s GLU 79 CO -0.07 0.61 -0.15 1.03 0.02 0.00 0.00 175.26 176.70 1m3i s ARG 80 N -1.09 2.53 0.05 1.61 0.52 0.31 -0.90 118.95 121.98 1m3i s ARG 80 Ca 0.31 -1.08 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1m3i s ARG 80 Cb -0.21 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 1m3i s ARG 80 CO 0.21 -0.41 0.09 -0.65 0.02 0.00 0.00 175.30 174.56 1m3i s GLN 81 N 1.21 2.97 -0.10 3.54 -0.21 0.43 -4.57 119.66 122.93 1m3i s GLN 81 Ca -0.02 -0.62 -0.10 0.00 0.02 0.00 0.00 55.36 54.64 1m3i s GLN 81 Cb -0.17 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.01 1m3i s GLN 81 CO -0.09 0.59 0.22 0.21 -2.12 0.00 0.00 175.29 174.11 1m3i s LYS 82 N -2.21 3.70 0.04 2.91 2.20 -1.26 0.88 119.74 126.01 1m3i s LYS 82 Ca 0.28 0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.87 1m3i s LYS 82 Cb -0.12 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1m3i s LYS 82 CO 0.20 0.67 0.05 1.03 -0.36 0.00 0.00 175.35 176.93 1m3i s ARG 83 N -0.78 0.56 -0.07 4.03 0.52 -0.76 -4.89 118.95 117.55 1m3i s ARG 83 Ca 0.17 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 1m3i s ARG 83 Cb -0.13 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.57 1m3i s ARG 83 CO 0.06 -0.13 -0.08 -1.12 0.02 0.00 0.00 175.30 174.05 1m3i s SER 84 N -2.24 1.62 -0.00 0.23 0.01 -1.26 -1.11 113.70 110.94 1m3i s SER 84 Ca -0.03 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.04 1m3i s SER 84 Cb -0.00 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1m3i s SER 84 CO -0.06 -0.05 -0.14 -0.22 0.41 0.00 0.00 173.24 173.18 1m3i s LEU 85 N 1.10 2.78 -0.04 2.44 2.96 0.16 -4.97 118.68 123.11 1m3i s LEU 85 Ca -0.07 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1m3i s LEU 85 Cb -0.14 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1m3i s LEU 85 CO -0.01 0.30 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.33 1m3i s THR 86 N -0.87 0.87 0.04 3.68 2.01 -1.26 -0.14 115.64 119.97 1m3i s THR 86 Ca 0.14 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1m3i s THR 86 Cb -0.11 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1m3i s THR 86 CO 0.04 0.28 -0.10 0.42 -0.69 0.00 0.00 174.62 174.57 1m3i s THR 87 N 0.40 0.77 -0.42 -0.82 -4.23 0.17 -4.99 115.64 106.53 1m3i s THR 87 Ca -0.07 -0.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.58 1m3i s THR 87 Cb -0.11 -0.75 0.30 0.00 1.34 0.00 0.00 72.50 73.27 1m3i s THR 87 CO 0.01 -0.16 0.66 -1.20 -0.54 0.00 0.00 174.62 173.39 1m3i n SER 88 N 1.81 1.07 -4.69 3.99 7.64 -1.26 -0.02 113.62 122.16 1m3i n SER 88 Ca -0.20 -2.97 -0.42 0.00 1.01 0.00 0.00 58.87 56.30 1m3i n SER 88 Cb 0.55 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 1m3i n SER 88 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1m3i s PRO 89 N -2.00 4.32 0.19 1.43 0.02 -1.18 -4.76 135.00 133.01 1m3i s PRO 89 Ca 0.39 1.90 0.21 0.00 0.02 0.00 0.00 61.00 63.52 1m3i s PRO 89 Cb 0.26 -3.51 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 1m3i s PRO 89 CO -0.09 -0.50 1.05 -0.39 -0.33 0.00 0.00 177.00 176.74 1m3i h VAL 90 N 4.82 0.13 -3.36 3.83 -1.51 -1.90 -2.59 116.25 115.66 1m3i h VAL 90 Ca -0.38 -1.24 -0.57 0.00 -1.23 0.00 0.00 66.70 63.28 1m3i h VAL 90 Cb 1.18 1.67 -0.06 0.00 -2.13 0.00 0.00 31.29 31.95 1m3i h VAL 90 CO 0.88 0.07 0.11 -0.62 -1.23 0.00 0.00 177.57 176.78 1m3i s ASP 91 N -5.54 6.91 -0.18 4.19 -1.08 -1.26 -4.27 116.67 115.45 1m3i s ASP 91 Ca -0.00 1.10 -0.01 0.00 -0.52 0.00 0.00 52.55 53.12 1m3i s ASP 91 Cb 0.09 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1m3i s ASP 91 CO 0.79 -0.16 -0.13 -0.63 0.52 0.00 0.00 175.17 175.55 1m3i s ILE 92 N 1.12 2.75 0.44 4.11 1.09 0.48 -4.91 121.20 126.27 1m3i s ILE 92 Ca 0.35 -0.72 -0.23 0.00 -1.10 0.00 0.00 60.65 58.95 1m3i s ILE 92 Cb -0.17 -2.19 -0.08 0.00 -1.06 0.00 0.00 42.46 38.96 1m3i s ILE 92 CO 0.16 0.49 1.07 -0.44 -0.10 0.00 0.00 174.94 176.12 1m3i s SER 93 N 1.10 6.52 -0.14 3.58 0.01 -1.26 -0.80 113.70 122.72 1m3i s SER 93 Ca 0.00 2.05 -0.09 0.00 1.31 0.00 0.00 55.95 59.23 1m3i s SER 93 Cb -0.14 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 1m3i s SER 93 CO -0.04 -0.66 0.16 -0.63 0.41 0.00 0.00 173.24 172.48 1m3i s ILE 94 N -1.73 5.45 0.04 1.44 1.01 -0.68 -4.93 121.20 121.79 1m3i s ILE 94 Ca 0.62 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 1m3i s ILE 94 Cb -0.22 -3.45 -0.28 0.00 0.01 0.00 0.00 42.46 38.53 1m3i s ILE 94 CO 0.27 0.56 0.98 0.16 0.00 0.00 0.00 174.94 176.91 1m3i h ILE 95 N 4.19 1.31 -2.12 2.92 3.07 -1.90 -3.40 117.51 121.58 1m3i h ILE 95 Ca -0.50 -2.93 -0.57 0.00 1.55 0.00 0.00 64.86 62.41 1m3i h ILE 95 Cb 1.20 2.83 -0.41 0.00 -0.27 0.00 0.00 36.82 40.18 1m3i h ILE 95 CO 0.64 0.84 -0.86 -0.67 -1.05 0.00 0.00 178.15 177.05 1m3i n ASP 96 N -3.47 2.34 -0.35 2.16 2.03 -1.26 -5.00 116.55 113.01 1m3i n ASP 96 Ca -0.12 -3.20 -0.08 0.00 0.52 0.00 0.00 54.79 51.91 1m3i n ASP 96 Cb 1.03 -0.63 -0.07 0.00 -0.72 0.00 0.00 41.12 40.73 1m3i n ASP 96 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1m3i n SER 97 N 0.69 -0.84 -0.26 1.67 7.64 -1.26 0.48 113.62 121.74 1m3i n SER 97 Ca 0.27 1.48 0.07 0.00 1.01 0.00 0.00 58.87 61.69 1m3i n SER 97 Cb 0.49 -0.21 0.20 0.00 -1.01 0.00 0.00 64.21 63.68 1m3i n SER 97 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1m3i h VAL 98 N 0.00 0.49 -0.38 0.44 2.07 -1.94 -0.87 116.25 116.07 1m3i h VAL 98 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1m3i h VAL 98 Cb 0.36 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1m3i h VAL 98 CO -0.79 0.05 0.00 0.59 0.02 0.00 0.00 177.57 177.44 1m3i n ASN 99 N -5.15 3.45 -4.77 0.57 4.13 -0.45 -4.96 115.26 108.08 1m3i n ASN 99 Ca 0.15 -1.99 -0.39 0.00 1.68 0.00 0.00 54.58 54.03 1m3i n ASN 99 Cb 0.49 -0.24 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 1m3i n ASN 99 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1m3i s ASP 100 N -1.49 6.82 -0.29 6.41 2.15 0.18 -4.96 116.67 125.49 1m3i s ASP 100 Ca 0.38 2.33 0.08 0.00 0.43 0.00 0.00 52.55 55.77 1m3i s ASP 100 Cb 0.23 -2.62 0.46 0.00 -0.30 0.00 0.00 42.92 40.68 1m3i s ASP 100 CO 0.31 -0.47 1.30 0.54 -0.17 0.00 0.00 175.17 176.69 1m3i n ARG 101 N 0.50 2.66 -3.06 4.34 1.74 -1.26 -4.90 116.66 116.67 1m3i n ARG 101 Ca 0.02 -3.69 -0.35 0.00 -0.77 0.00 0.00 57.85 53.06 1m3i n ARG 101 Cb 0.46 -2.01 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 1m3i n ARG 101 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1m3i s THR 102 N -3.99 4.56 0.20 0.55 2.01 -1.26 -4.85 115.64 112.86 1m3i s THR 102 Ca 0.47 1.24 -0.22 0.00 0.31 0.00 0.00 61.69 63.49 1m3i s THR 102 Cb 0.40 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 69.19 1m3i s THR 102 CO -0.00 0.04 0.64 -0.72 -0.69 0.00 0.00 174.62 173.89 1m3i s TYR 103 N -1.72 -0.42 0.60 4.92 -0.85 -1.26 -4.90 117.35 113.72 1m3i s TYR 103 Ca 0.48 0.13 -0.18 0.00 -0.52 0.00 0.00 57.07 56.99 1m3i s TYR 103 Cb -0.14 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1m3i s TYR 103 CO 0.20 -0.98 1.13 -2.14 -1.52 0.00 0.00 175.55 172.24 1m3i s PRO 104 N -3.80 3.06 0.00 -3.49 0.02 -1.26 -3.10 135.00 126.43 1m3i s PRO 104 Ca 0.04 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1m3i s PRO 104 Cb -0.03 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1m3i s PRO 104 CO -0.06 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1m3i n GLY 105 N -0.03 1.35 3.73 0.52 0.00 0.10 -4.94 105.19 105.92 1m3i n GLY 105 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1m3i n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m3i s ALA 106 N -3.52 1.42 -0.10 4.61 0.00 -1.18 -4.77 121.76 118.22 1m3i s ALA 106 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1m3i s ALA 106 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1m3i s ALA 106 CO 0.00 -2.48 -0.11 -0.51 0.00 0.00 0.00 175.76 172.66 1m3i s LEU 107 N -6.23 1.49 0.00 0.00 1.43 -1.26 -1.92 118.68 112.19 1m3i s LEU 107 Ca 0.64 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1m3i s LEU 107 Cb -0.17 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1m3i s LEU 107 CO 0.56 -0.03 0.15 0.00 0.23 0.00 0.00 176.35 177.26 1m3i n GLN 108 N 4.36 0.57 -4.75 1.70 6.02 -0.76 0.27 117.38 124.79 1m3i n GLN 108 Ca -0.18 -3.60 -0.33 0.00 -0.01 0.00 0.00 57.00 52.88 1m3i n GLN 108 Cb 0.51 1.93 -0.13 0.00 1.02 0.00 0.00 30.24 33.57 1m3i n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1m3i s LEU 109 N 0.00 2.87 -1.33 1.08 1.43 -0.88 -1.42 118.68 120.43 1m3i s LEU 109 Ca 0.21 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1m3i s LEU 109 Cb 0.01 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1m3i s LEU 109 CO 0.15 0.27 2.11 0.00 0.23 0.00 0.00 176.35 179.11 1m3i n ALA 110 N 2.84 4.86 -2.75 4.21 0.00 0.15 -4.55 120.51 125.27 1m3i n ALA 110 Ca -0.18 -3.77 -0.33 0.00 0.00 0.00 0.00 53.44 49.17 1m3i n ALA 110 Cb 0.53 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.34 1m3i n ALA 110 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1m3i s ASP 111 N 3.69 4.07 0.57 0.00 -4.77 -1.26 -4.26 116.67 114.71 1m3i s ASP 111 Ca 0.50 -1.65 0.33 0.00 -3.30 0.00 0.00 52.55 48.44 1m3i s ASP 111 Cb 0.12 0.50 1.73 0.00 -1.09 0.00 0.00 42.92 44.19 1m3i s ASP 111 CO -0.03 -0.85 2.15 0.11 0.70 0.00 0.00 175.17 177.26 1m3i h LYS 112 N 1.38 0.00 -0.10 2.11 1.57 -1.88 -1.91 116.57 117.73 1m3i h LYS 112 Ca -0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1m3i h LYS 112 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 1m3i h LYS 112 CO 0.74 0.05 0.05 0.00 -0.57 0.00 0.00 179.45 179.72 1m3i h ALA 113 N 1.95 0.13 -0.18 3.86 0.00 -1.92 0.42 119.26 123.51 1m3i h ALA 113 Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1m3i h ALA 113 Cb 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1m3i h ALA 113 CO 0.01 -0.31 -0.11 1.25 0.00 0.00 0.00 179.25 180.09 1m3i h LEU 114 N 0.03 -0.35 -1.36 0.00 5.85 -1.45 0.70 115.31 118.73 1m3i h LEU 114 Ca 0.03 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1m3i h LEU 114 Cb 0.12 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1m3i h LEU 114 CO -0.00 -0.14 0.54 0.58 -0.34 0.00 0.00 178.44 179.07 1m3i h VAL 115 N -0.10 0.88 -0.17 1.05 2.07 -1.02 0.11 116.25 119.07 1m3i h VAL 115 Ca 0.10 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1m3i h VAL 115 Cb 0.26 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1m3i h VAL 115 CO -0.24 0.12 0.09 -0.62 0.02 0.00 0.00 177.57 176.94 1m3i n GLU 116 N -4.52 1.37 -3.39 1.57 1.02 0.14 -4.84 120.64 112.00 1m3i n GLU 116 Ca 0.15 -0.58 -0.25 0.00 -0.02 0.00 0.00 57.16 56.46 1m3i n GLU 116 Cb 0.41 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1m3i n GLU 116 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1m3i n ASN 117 N 0.17 -5.30 -2.75 1.62 4.13 0.40 -4.90 115.26 108.63 1m3i n ASN 117 Ca 0.10 -0.46 -0.08 0.00 1.68 0.00 0.00 54.58 55.83 1m3i n ASN 117 Cb 0.65 -4.27 0.05 0.00 -1.54 0.00 0.00 39.78 34.67 1m3i n ASN 117 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1m3i n ARG 118 N -4.25 0.75 -0.94 3.52 1.85 -0.60 -4.83 116.66 112.16 1m3i n ARG 118 Ca -0.04 -1.72 -0.30 0.00 -1.00 0.00 0.00 57.85 54.79 1m3i n ARG 118 Cb 0.57 -1.44 0.15 0.00 -1.05 0.00 0.00 32.46 30.69 1m3i n ARG 118 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1m3i s PRO 119 N 0.69 1.15 -0.36 2.89 0.04 -1.24 -3.77 135.00 134.41 1m3i s PRO 119 Ca 0.32 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 1m3i s PRO 119 Cb 0.22 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.98 1m3i s PRO 119 CO -0.24 -2.42 0.32 0.99 0.04 0.00 0.00 177.00 175.69 1m3i s THR 120 N -2.76 5.22 -0.08 1.26 2.01 -1.26 -4.83 115.64 115.19 1m3i s THR 120 Ca 0.65 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 1m3i s THR 120 Cb -0.20 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1m3i s THR 120 CO 0.58 -0.15 0.71 -0.63 -0.69 0.00 0.00 174.62 174.44 1m3i s ILE 121 N 1.87 5.03 -0.32 1.82 -1.09 -1.26 -2.07 121.20 125.17 1m3i s ILE 121 Ca 0.09 1.45 -0.25 0.00 -2.23 0.00 0.00 60.65 59.71 1m3i s ILE 121 Cb -0.17 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1m3i s ILE 121 CO 0.11 0.22 0.86 -0.76 -1.23 0.00 0.00 174.94 174.14 1m3i s LEU 122 N 1.00 4.05 -0.41 2.97 1.43 0.76 -4.95 118.68 123.54 1m3i s LEU 122 Ca 0.37 0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 54.08 1m3i s LEU 122 Cb -0.17 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 42.93 1m3i s LEU 122 CO 0.17 -0.71 0.23 -0.04 0.23 0.00 0.00 176.35 176.24 1m3i s MET 123 N 3.17 2.58 0.02 1.70 -1.94 -1.26 -4.44 119.30 119.12 1m3i s MET 123 Ca 0.35 -1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 52.90 1m3i s MET 123 Cb -0.13 -3.73 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 1m3i s MET 123 CO 0.14 -0.91 -0.02 0.14 -0.01 0.00 0.00 175.02 174.36 1m3i s VAL 124 N 1.41 0.11 0.15 -6.03 -7.23 -1.26 -5.11 120.40 102.44 1m3i s VAL 124 Ca 0.03 -0.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.94 1m3i s VAL 124 Cb -0.22 -0.34 -0.10 0.00 0.56 0.00 0.00 36.38 36.27 1m3i s VAL 124 CO 0.02 -0.52 1.68 -0.75 -0.31 0.00 0.00 175.10 175.22 1m3i s LYS 125 N -1.59 4.17 0.33 4.82 2.20 -1.26 -4.95 119.74 123.46 1m3i s LYS 125 Ca -0.15 2.47 0.04 0.00 -0.36 0.00 0.00 55.97 57.97 1m3i s LYS 125 Cb -0.09 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1m3i s LYS 125 CO -0.01 -0.72 0.17 -0.98 -0.36 0.00 0.00 175.35 173.45 1m3i s ARG 126 N 1.80 1.68 0.58 4.03 1.70 -1.26 -2.32 118.95 125.16 1m3i s ARG 126 Ca 0.74 -1.98 -0.11 0.00 -0.47 0.00 0.00 55.73 53.92 1m3i s ARG 126 Cb -0.45 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 1m3i s ARG 126 CO 0.33 -0.48 0.98 0.15 -1.08 0.00 0.00 175.30 175.20 1m3i s LYS 127 N -3.74 3.62 0.97 3.89 1.02 0.12 -4.60 119.74 121.02 1m3i s LYS 127 Ca 0.34 0.67 -0.11 0.00 0.02 0.00 0.00 55.97 56.89 1m3i s LYS 127 Cb 0.04 -2.14 0.18 0.00 -0.52 0.00 0.00 37.83 35.39 1m3i s LYS 127 CO 0.18 -0.48 1.11 -2.14 -0.92 0.00 0.00 175.35 173.10 1m3i s PRO 128 N -4.99 0.56 -0.06 -1.68 0.02 -1.03 -4.60 135.00 123.22 1m3i s PRO 128 Ca 0.54 1.27 -0.17 0.00 0.02 0.00 0.00 61.00 62.66 1m3i s PRO 128 Cb -0.11 -1.69 0.04 0.00 0.02 0.00 0.00 34.50 32.75 1m3i s PRO 128 CO 0.50 -2.85 0.40 -1.50 -0.33 0.00 0.00 177.00 173.22 1m3i s ILE 129 N -2.63 0.03 -0.08 2.83 2.07 -0.36 -4.92 121.20 118.13 1m3i s ILE 129 Ca 0.67 -0.26 -0.15 0.00 -1.41 0.00 0.00 60.65 59.50 1m3i s ILE 129 Cb -0.23 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1m3i s ILE 129 CO 0.60 -0.14 0.39 0.20 -1.91 0.00 0.00 174.94 174.08 1m3i s ASN 130 N -0.83 6.66 0.14 4.50 -0.87 -1.26 -0.37 114.94 122.91 1m3i s ASN 130 Ca -0.09 0.79 0.11 0.00 -1.57 0.00 0.00 52.86 52.09 1m3i s ASN 130 Cb -0.04 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.91 1m3i s ASN 130 CO 0.04 0.16 -0.25 -0.51 -2.57 0.00 0.00 177.10 173.97 1m3i s ILE 131 N -0.13 2.37 -0.07 0.60 2.07 0.55 -1.23 121.20 125.35 1m3i s ILE 131 Ca 0.22 -1.78 -0.03 0.00 -1.41 0.00 0.00 60.65 57.65 1m3i s ILE 131 Cb -0.15 -2.07 0.04 0.00 0.13 0.00 0.00 42.46 40.40 1m3i s ILE 131 CO 0.10 0.05 0.16 0.20 -1.91 0.00 0.00 174.94 173.53 1m3i s ASN 132 N -2.19 -0.13 0.04 4.50 -0.87 0.83 -1.12 114.94 116.00 1m3i s ASN 132 Ca 0.16 0.32 -0.05 0.00 -1.57 0.00 0.00 52.86 51.72 1m3i s ASN 132 Cb -0.10 0.22 -0.05 0.00 -0.02 0.00 0.00 41.25 41.31 1m3i s ASN 132 CO 0.07 -0.14 0.28 -0.51 -2.57 0.00 0.00 177.10 174.24 1m3i s ILE 133 N 1.02 5.29 -0.49 0.60 2.07 -1.14 -0.91 121.20 127.65 1m3i s ILE 133 Ca -0.08 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1m3i s ILE 133 Cb -0.10 -3.58 0.48 0.00 0.13 0.00 0.00 42.46 39.39 1m3i s ILE 133 CO -0.05 0.28 1.71 -0.90 -1.91 0.00 0.00 174.94 174.07 1m3i n ASP 134 N 0.85 5.91 -4.76 4.50 3.85 -0.86 -4.82 116.55 121.22 1m3i n ASP 134 Ca -0.09 -3.76 -0.36 0.00 -0.71 0.00 0.00 54.79 49.87 1m3i n ASP 134 Cb 0.52 -0.74 0.02 0.00 -1.35 0.00 0.00 41.12 39.58 1m3i n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1m3i s LEU 135 N -3.65 3.72 0.77 -2.12 1.43 -1.26 -4.81 118.68 112.76 1m3i s LEU 135 Ca 0.58 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 1m3i s LEU 135 Cb 0.47 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 42.18 1m3i s LEU 135 CO 0.02 -1.41 1.16 -2.16 0.23 0.00 0.00 176.35 174.19 1m3i s PRO 136 N -3.27 2.00 -1.20 1.29 0.04 -1.26 -4.06 135.00 128.55 1m3i s PRO 136 Ca 0.75 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 1m3i s PRO 136 Cb -0.28 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1m3i s PRO 136 CO 0.31 -1.90 0.72 0.41 0.04 0.00 0.00 177.00 176.58 1m3i n GLY 137 N -0.03 -0.78 0.12 0.56 0.00 -1.26 -4.91 105.19 98.89 1m3i n GLY 137 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1m3i n GLY 137 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m3i n LEU 138 N -4.20 0.00 -4.70 0.99 7.94 -1.26 -5.08 117.00 110.70 1m3i n LEU 138 Ca -0.16 -0.33 -0.43 0.00 -1.11 0.00 0.00 56.01 53.98 1m3i n LEU 138 Cb 0.62 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.56 1m3i n LEU 138 CO 0.68 0.20 0.94 2.29 -1.11 0.00 0.00 177.39 180.39 1m3i n LYS 139 N 0.00 2.17 -1.01 1.96 2.85 -1.26 -0.64 118.16 122.23 1m3i n LYS 139 Ca 0.00 0.76 -0.00 0.00 -1.05 0.00 0.00 58.31 58.02 1m3i n LYS 139 Cb 0.54 -2.37 -0.00 0.00 -0.65 0.00 0.00 35.03 32.55 1m3i n LYS 139 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1m3i n GLY 140 N 1.00 0.41 0.00 2.58 0.00 -1.26 -4.69 105.19 103.23 1m3i n GLY 140 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1m3i n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m3i n GLU 141 N -2.05 0.00 0.17 1.61 1.02 -0.29 -4.93 120.64 116.16 1m3i n GLU 141 Ca -0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1m3i n GLU 141 Cb 0.13 -0.11 0.39 0.00 -0.02 0.00 0.00 31.44 31.83 1m3i n GLU 141 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1m3i h ASN 142 N 0.00 0.00 -3.16 1.62 -1.07 -1.15 -3.46 115.58 108.36 1m3i h ASN 142 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 1m3i h ASN 142 Cb 0.22 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.43 1m3i h ASN 142 CO 0.00 0.00 -0.29 -0.44 0.07 0.00 0.00 177.43 176.77 1m3i s SER 143 N -5.12 6.54 0.00 6.14 0.01 -1.26 -2.87 113.70 117.14 1m3i s SER 143 Ca 0.07 0.66 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 1m3i s SER 143 Cb 0.09 -2.12 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 1m3i s SER 143 CO 0.58 0.08 0.10 -0.51 0.41 0.00 0.00 173.24 173.90 1m3i s ILE 144 N -1.59 0.09 -0.20 1.44 2.07 -0.27 -5.00 121.20 117.74 1m3i s ILE 144 Ca 0.39 -0.71 -0.07 0.00 -1.41 0.00 0.00 60.65 58.85 1m3i s ILE 144 Cb -0.13 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1m3i s ILE 144 CO 0.22 -0.39 0.05 -0.75 -1.91 0.00 0.00 174.94 172.16 1m3i s LYS 145 N -1.34 3.80 -0.36 3.50 2.20 -1.26 -0.33 119.74 125.95 1m3i s LYS 145 Ca -0.14 -0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 54.96 1m3i s LYS 145 Cb -0.08 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 33.07 1m3i s LYS 145 CO 0.01 0.09 0.16 0.08 -0.36 0.00 0.00 175.35 175.33 1m3i s VAL 146 N 0.84 4.15 0.11 4.02 1.01 0.50 -4.95 120.40 126.08 1m3i s VAL 146 Ca 0.03 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 1m3i s VAL 146 Cb -0.14 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 1m3i s VAL 146 CO 0.02 -0.22 1.70 0.44 0.00 0.00 0.00 175.10 177.04 1m3i h ASP 147 N 8.32 -0.27 -3.16 3.32 3.32 -1.93 -0.96 116.42 125.07 1m3i h ASP 147 Ca -0.24 0.04 -0.62 0.00 0.02 0.00 0.00 57.03 56.23 1m3i h ASP 147 Cb 1.09 0.12 -0.41 0.00 0.22 0.00 0.00 39.33 40.35 1m3i h ASP 147 CO 0.64 -0.14 -0.67 -0.62 -1.72 0.00 0.00 179.24 176.73 1m3i s ASP 148 N -5.06 4.01 0.02 6.45 -1.08 -1.26 -2.46 116.67 117.29 1m3i s ASP 148 Ca -0.14 -3.48 -0.34 0.00 -0.52 0.00 0.00 52.55 48.07 1m3i s ASP 148 Cb 0.08 -1.34 -0.13 0.00 -1.46 0.00 0.00 42.92 40.07 1m3i s ASP 148 CO 0.66 -0.14 1.75 -0.81 0.52 0.00 0.00 175.17 177.15 1m3i n PRO 149 N 2.44 2.15 -3.83 4.34 -0.04 -1.26 -4.76 135.00 134.05 1m3i n PRO 149 Ca 0.19 0.78 -0.09 0.00 -0.04 0.00 0.00 63.50 64.33 1m3i n PRO 149 Cb 0.37 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 31.19 1m3i n PRO 149 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1m3i s THR 150 N 2.71 0.04 0.12 0.52 -4.23 -1.26 -4.95 115.64 108.59 1m3i s THR 150 Ca 0.87 -1.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.06 1m3i s THR 150 Cb -0.69 -1.72 -0.08 0.00 1.34 0.00 0.00 72.50 71.34 1m3i s THR 150 CO 0.46 -0.16 1.60 0.22 -0.54 0.00 0.00 174.62 176.20 1m3i h TYR 151 N 2.30 -1.06 -0.33 3.99 3.20 -1.93 0.34 116.97 123.48 1m3i h TYR 151 Ca -0.29 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 1m3i h TYR 151 Cb 1.25 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.96 1m3i h TYR 151 CO 0.37 -0.48 0.06 0.78 -1.64 0.00 0.00 178.16 177.25 1m3i h GLY 152 N -0.59 0.52 0.65 1.82 0.00 -1.97 -0.75 103.07 102.75 1m3i h GLY 152 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1m3i h GLY 152 CO -0.24 0.26 -0.09 0.50 0.00 0.00 0.00 176.54 176.96 1m3i h LYS 153 N 0.47 0.22 -0.47 4.80 1.79 -1.66 -2.86 116.57 118.85 1m3i h LYS 153 Ca 0.11 -0.12 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1m3i h LYS 153 Cb 0.22 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1m3i h LYS 153 CO -0.00 0.65 -0.04 0.28 -1.08 0.00 0.00 179.45 179.26 1m3i h VAL 154 N -0.21 1.27 -0.10 0.50 2.07 -0.24 -2.94 116.25 116.59 1m3i h VAL 154 Ca 0.01 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1m3i h VAL 154 Cb 0.62 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1m3i h VAL 154 CO 0.02 0.39 -0.28 0.28 0.02 0.00 0.00 177.57 178.00 1m3i h SER 155 N 0.71 -0.87 -0.66 0.57 0.02 -1.18 -0.19 113.55 111.96 1m3i h SER 155 Ca 0.13 0.13 0.14 0.00 -0.84 0.00 0.00 61.79 61.35 1m3i h SER 155 Cb 0.56 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 1m3i h SER 155 CO 0.03 -0.33 0.45 1.23 -1.14 0.00 0.00 176.83 177.06 1m3i h GLY 156 N -0.37 0.48 0.79 -3.77 0.00 -1.48 0.30 103.07 99.02 1m3i h GLY 156 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1m3i h GLY 156 CO -0.31 0.05 -0.26 0.00 0.00 0.00 0.00 176.54 176.02 1m3i h ALA 157 N 1.68 -0.74 -0.37 3.60 0.00 -0.91 -1.32 119.26 121.20 1m3i h ALA 157 Ca 0.32 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1m3i h ALA 157 Cb 0.82 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1m3i h ALA 157 CO -0.08 -0.80 -0.28 0.82 0.00 0.00 0.00 179.25 178.90 1m3i h ILE 158 N -0.96 0.29 -0.91 0.00 2.04 0.00 0.36 117.51 118.34 1m3i h ILE 158 Ca -0.08 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.03 1m3i h ILE 158 Cb 0.63 0.29 -0.14 0.00 -0.74 0.00 0.00 36.82 36.87 1m3i h ILE 158 CO 0.12 0.00 0.34 0.44 0.00 0.00 0.00 178.15 179.05 1m3i h ASP 159 N -0.23 0.17 0.99 1.72 5.19 -0.34 0.12 116.42 124.04 1m3i h ASP 159 Ca 0.17 0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.72 1m3i h ASP 159 Cb 0.51 0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.24 1m3i h ASP 159 CO -0.50 -0.12 -0.47 -0.33 -3.12 0.00 0.00 179.24 174.69 1m3i h GLU 160 N 0.27 -1.28 -0.75 3.56 5.08 0.85 -1.58 114.58 120.73 1m3i h GLU 160 Ca 0.59 0.09 0.16 0.00 -1.00 0.00 0.00 59.36 59.20 1m3i h GLU 160 Cb 1.22 0.29 -0.14 0.00 0.50 0.00 0.00 28.75 30.62 1m3i h GLU 160 CO -0.62 -0.85 -0.14 -0.07 -1.00 0.00 0.00 179.01 176.33 1m3i h LEU 161 N -1.34 -0.62 -0.32 1.33 3.38 0.78 0.40 115.31 118.92 1m3i h LEU 161 Ca -0.14 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1m3i h LEU 161 Cb 1.02 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1m3i h LEU 161 CO 0.22 -0.24 0.12 0.58 0.09 0.00 0.00 178.44 179.22 1m3i h VAL 162 N 0.02 0.93 -0.53 1.22 2.07 -0.84 -0.71 116.25 118.40 1m3i h VAL 162 Ca 0.37 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1m3i h VAL 162 Cb 0.60 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1m3i h VAL 162 CO -0.75 0.05 0.25 0.28 0.02 0.00 0.00 177.57 177.42 1m3i h SER 163 N 0.27 0.68 -0.53 0.57 0.02 0.26 0.25 113.55 115.07 1m3i h SER 163 Ca 0.14 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1m3i h SER 163 Cb 0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1m3i h SER 163 CO -0.14 0.59 0.32 0.50 -1.14 0.00 0.00 176.83 176.96 1m3i h LYS 164 N 0.75 0.74 0.28 3.45 3.64 0.72 0.91 116.57 127.06 1m3i h LYS 164 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1m3i h LYS 164 Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1m3i h LYS 164 CO -0.02 0.53 -0.13 2.35 -2.27 0.00 0.00 179.45 179.90 1m3i h TRP 165 N 0.75 -0.34 -0.11 1.91 7.01 0.56 -2.23 115.95 123.50 1m3i h TRP 165 Ca 0.20 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.22 1m3i h TRP 165 Cb -0.01 0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1m3i h TRP 165 CO 0.00 0.00 0.36 -0.91 -2.79 0.00 0.00 178.44 175.11 1m3i h ASN 166 N -0.92 0.00 0.00 2.65 2.35 -0.30 0.14 115.58 119.49 1m3i h ASN 166 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1m3i h ASN 166 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1m3i h ASN 166 CO 0.06 0.00 -0.08 -0.08 -1.65 0.00 0.00 177.43 175.68 1m3i h GLU 167 N 0.00 0.00 -0.55 0.81 4.57 -0.74 -3.31 114.58 115.36 1m3i h GLU 167 Ca 0.05 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.32 1m3i h GLU 167 Cb 0.77 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1m3i h GLU 167 CO -0.00 0.37 0.37 -0.22 -1.18 0.00 0.00 179.01 178.35 1m3i h LYS 168 N -1.00 0.36 -3.89 1.92 3.64 -0.65 -3.33 116.57 113.63 1m3i h LYS 168 Ca -0.01 -0.02 -0.63 0.00 -1.27 0.00 0.00 60.65 58.71 1m3i h LYS 168 Cb 0.42 -0.08 -0.40 0.00 -0.41 0.00 0.00 32.23 31.75 1m3i h LYS 168 CO -0.01 0.24 -0.70 0.71 -2.27 0.00 0.00 179.45 177.41 1m3i s TYR 169 N -5.35 2.99 -0.13 1.91 1.51 0.38 -4.95 117.35 113.70 1m3i s TYR 169 Ca -0.07 -2.75 0.19 0.00 -1.01 0.00 0.00 57.07 53.43 1m3i s TYR 169 Cb 0.19 -2.54 -0.17 0.00 -0.11 0.00 0.00 41.96 39.33 1m3i s TYR 169 CO 0.74 -0.86 0.67 0.43 -1.11 0.00 0.00 175.55 175.43 1m3i n SER 170 N 3.93 0.55 0.19 2.29 7.64 -1.25 -4.51 113.62 122.46 1m3i n SER 170 Ca 0.04 0.23 -0.14 0.00 1.01 0.00 0.00 58.87 60.01 1m3i n SER 170 Cb 0.38 0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 64.24 1m3i n SER 170 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1m3i h SER 171 N 0.00 -0.62 -4.12 6.43 0.02 -1.92 -3.43 113.55 109.90 1m3i h SER 171 Ca -0.16 0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 60.15 1m3i h SER 171 Cb 1.46 0.20 -0.24 0.00 0.14 0.00 0.00 62.40 63.96 1m3i h SER 171 CO 0.03 -0.35 -0.87 -0.89 -1.14 0.00 0.00 176.83 173.60 1m3i s THR 172 N -6.08 2.18 -0.08 -2.27 2.01 -1.26 -5.03 115.64 105.11 1m3i s THR 172 Ca -0.16 -1.56 0.11 0.00 0.31 0.00 0.00 61.69 60.39 1m3i s THR 172 Cb 0.06 -1.90 0.17 0.00 0.01 0.00 0.00 72.50 70.84 1m3i s THR 172 CO 0.64 0.23 1.06 0.00 -0.69 0.00 0.00 174.62 175.87 1m3i n HIS 173 N 1.37 0.00 -4.43 4.92 1.44 -1.26 -4.96 115.22 112.29 1m3i n HIS 173 Ca -0.17 -0.70 -0.22 0.00 -2.01 0.00 0.00 57.72 54.62 1m3i n HIS 173 Cb 0.52 -0.11 -0.16 0.00 0.12 0.00 0.00 29.99 30.37 1m3i n HIS 173 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1m3i s THR 174 N -1.91 0.88 0.22 0.61 -4.23 -1.26 0.70 115.64 110.65 1m3i s THR 174 Ca 0.19 -0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 1m3i s THR 174 Cb 0.16 -0.81 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 1m3i s THR 174 CO 0.02 0.29 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.54 1m3i s LEU 175 N 0.49 2.46 0.29 4.79 1.43 0.04 -4.94 118.68 123.24 1m3i s LEU 175 Ca -0.09 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 51.62 1m3i s LEU 175 Cb -0.12 -0.52 -0.10 0.00 0.03 0.00 0.00 46.19 45.48 1m3i s LEU 175 CO 0.02 -0.31 1.16 -2.84 0.23 0.00 0.00 176.35 174.60 1m3i s PRO 176 N -3.73 4.56 0.39 1.29 0.02 -1.26 -0.70 135.00 135.58 1m3i s PRO 176 Ca 0.24 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 1m3i s PRO 176 Cb 0.02 -3.16 -0.07 0.00 0.02 0.00 0.00 34.50 31.32 1m3i s PRO 176 CO 0.07 0.10 0.77 0.00 -0.33 0.00 0.00 177.00 177.61 1m3i s ALA 177 N -1.15 3.34 -0.93 -1.55 0.00 -0.76 -4.81 121.76 115.91 1m3i s ALA 177 Ca 0.46 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 1m3i s ALA 177 Cb -0.34 -2.72 0.17 0.00 0.00 0.00 0.00 23.12 20.22 1m3i s ALA 177 CO 0.44 0.04 1.04 1.03 0.00 0.00 0.00 175.76 178.32 1m3i s ARG 178 N -3.71 3.66 0.28 0.00 0.52 0.73 -4.88 118.95 115.56 1m3i s ARG 178 Ca 0.52 -2.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.36 1m3i s ARG 178 Cb -0.10 -4.77 -0.09 0.00 0.52 0.00 0.00 34.95 30.50 1m3i s ARG 178 CO 0.29 -1.61 1.01 0.99 0.02 0.00 0.00 175.30 176.00 1m3i s THR 179 N 1.71 3.84 -0.18 0.02 2.01 -1.25 -2.13 115.64 119.66 1m3i s THR 179 Ca 0.29 1.76 -0.00 0.00 0.31 0.00 0.00 61.69 64.05 1m3i s THR 179 Cb -0.06 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1m3i s THR 179 CO -0.09 0.35 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.03 1m3i s GLN 180 N -1.54 1.57 0.14 4.92 -0.21 0.26 -4.93 119.66 119.86 1m3i s GLN 180 Ca 0.45 -0.64 -0.21 0.00 0.02 0.00 0.00 55.36 54.98 1m3i s GLN 180 Cb -0.27 -2.17 -0.07 0.00 1.00 0.00 0.00 33.01 31.50 1m3i s GLN 180 CO 0.34 -0.46 0.67 -0.47 -2.12 0.00 0.00 175.29 173.25 1m3i s TYR 181 N 1.56 3.80 -0.01 0.91 5.04 -1.26 -0.98 117.35 126.42 1m3i s TYR 181 Ca -0.01 1.41 -0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1m3i s TYR 181 Cb -0.16 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.54 1m3i s TYR 181 CO -0.08 0.51 0.13 -1.12 -1.34 0.00 0.00 175.55 173.65 1m3i s SER 182 N -1.26 0.01 0.06 4.32 0.01 -0.67 -4.98 113.70 111.19 1m3i s SER 182 Ca 0.34 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.28 1m3i s SER 182 Cb -0.20 0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.28 1m3i s SER 182 CO 0.22 -0.32 0.41 -1.83 0.41 0.00 0.00 173.24 172.13 1m3i s GLU 183 N -1.17 0.96 0.00 12.44 -1.05 -1.26 -0.53 118.70 128.09 1m3i s GLU 183 Ca -0.13 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1m3i s GLU 183 Cb -0.07 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 1m3i s GLU 183 CO 0.01 -0.34 0.00 0.45 0.95 0.00 0.00 175.26 176.33 1m3i n SER 184 N 0.33 0.00 -4.83 0.83 2.88 -0.76 -4.97 113.62 107.09 1m3i n SER 184 Ca -0.18 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 1m3i n SER 184 Cb 0.61 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.02 1m3i n SER 184 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1m3i s MET 185 N -1.95 4.08 -0.26 -1.46 -1.94 -1.26 -1.32 119.30 115.18 1m3i s MET 185 Ca 0.00 1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 54.90 1m3i s MET 185 Cb 0.00 -2.16 -0.05 0.00 2.01 0.00 0.00 34.83 34.63 1m3i s MET 185 CO 0.00 -0.16 0.19 0.08 -0.01 0.00 0.00 175.02 175.12 1m3i s VAL 186 N -2.42 5.32 -0.08 -6.03 1.01 0.16 -4.78 120.40 113.57 1m3i s VAL 186 Ca 0.60 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.81 1m3i s VAL 186 Cb -0.09 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1m3i s VAL 186 CO 0.23 0.28 -0.06 -1.22 0.00 0.00 0.00 175.10 174.33 1m3i n TYR 187 N 4.79 0.00 -3.75 5.22 4.02 -1.26 -4.67 117.16 121.51 1m3i n TYR 187 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 1m3i n TYR 187 Cb 0.52 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 1m3i n TYR 187 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1m3i s SER 188 N -4.63 -0.32 0.09 7.72 1.04 -1.26 -4.66 113.70 111.67 1m3i s SER 188 Ca -0.10 -0.47 -0.33 0.00 0.48 0.00 0.00 55.95 55.53 1m3i s SER 188 Cb 0.03 0.66 -0.16 0.00 0.10 0.00 0.00 66.02 66.65 1m3i s SER 188 CO 0.23 -1.19 1.60 0.11 0.98 0.00 0.00 173.24 174.97 1m3i h LYS 189 N 2.06 -0.84 -0.30 4.02 1.57 -1.98 -1.31 116.57 119.78 1m3i h LYS 189 Ca -0.25 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1m3i h LYS 189 Cb 1.27 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 1m3i h LYS 189 CO 0.30 -0.56 -0.01 0.66 -0.57 0.00 0.00 179.45 179.28 1m3i h SER 190 N -0.87 0.43 0.33 0.86 4.64 -1.98 -0.17 113.55 116.80 1m3i h SER 190 Ca -0.05 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1m3i h SER 190 Cb 0.74 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1m3i h SER 190 CO 0.01 0.50 -0.16 -0.61 -0.87 0.00 0.00 176.83 175.70 1m3i h GLN 191 N 0.45 -0.43 -0.91 4.77 -0.00 -1.85 -2.34 115.11 114.79 1m3i h GLN 191 Ca 0.10 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1m3i h GLN 191 Cb 0.30 0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.83 1m3i h GLN 191 CO 0.01 -0.29 0.60 0.97 0.00 0.00 0.00 178.83 180.12 1m3i h ILE 192 N -0.48 1.19 -0.68 2.39 6.09 -1.27 0.66 117.51 125.41 1m3i h ILE 192 Ca -0.05 -0.41 0.12 0.00 -1.37 0.00 0.00 64.86 63.15 1m3i h ILE 192 Cb 0.34 -0.11 -0.08 0.00 0.47 0.00 0.00 36.82 37.44 1m3i h ILE 192 CO 0.08 0.22 0.26 -1.28 -3.07 0.00 0.00 178.15 174.35 1m3i h SER 193 N 1.20 0.24 0.67 2.19 0.87 -1.05 -1.28 113.55 116.39 1m3i h SER 193 Ca 0.35 0.09 -0.27 0.00 -1.23 0.00 0.00 61.79 60.74 1m3i h SER 193 Cb -0.07 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1m3i h SER 193 CO -0.10 0.12 -1.27 0.77 -0.53 0.00 0.00 176.83 175.82 1m3i h SER 194 N 0.43 0.29 -0.28 6.23 4.64 -1.00 0.78 113.55 124.64 1m3i h SER 194 Ca 0.36 -0.34 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1m3i h SER 194 Cb 0.49 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1m3i h SER 194 CO -0.35 1.27 0.03 0.00 -0.87 0.00 0.00 176.83 176.91 1m3i h ALA 195 N 0.68 0.27 -0.02 5.18 0.00 -0.16 -2.37 119.26 122.84 1m3i h ALA 195 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1m3i h ALA 195 Cb 1.94 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1m3i h ALA 195 CO 0.17 -0.38 -0.05 1.28 0.00 0.00 0.00 179.25 180.27 1m3i n LEU 196 N -5.12 2.34 -3.65 0.00 4.77 -0.55 -4.98 117.00 109.82 1m3i n LEU 196 Ca -0.01 -0.78 -0.21 0.00 -0.03 0.00 0.00 56.01 54.98 1m3i n LEU 196 Cb 0.13 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1m3i n LEU 196 CO 0.25 0.39 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.46 1m3i n ASN 197 N 0.77 -1.85 -4.14 -1.43 4.05 -0.34 -5.00 115.26 107.32 1m3i n ASN 197 Ca 0.15 -0.81 -0.14 0.00 0.45 0.00 0.00 54.58 54.23 1m3i n ASN 197 Cb 0.50 -4.18 -0.11 0.00 1.23 0.00 0.00 39.78 37.22 1m3i n ASN 197 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1m3i s VAL 198 N -3.61 0.80 0.02 3.44 -7.23 0.12 -4.68 120.40 109.26 1m3i s VAL 198 Ca 0.06 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1m3i s VAL 198 Cb -0.02 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 1m3i s VAL 198 CO 0.80 -0.49 1.39 0.21 -0.31 0.00 0.00 175.10 176.69 1m3i s ASN 199 N -2.14 6.86 0.27 4.85 3.84 -1.26 -4.53 114.94 122.83 1m3i s ASN 199 Ca 0.00 2.13 -0.01 0.00 0.21 0.00 0.00 52.86 55.19 1m3i s ASN 199 Cb -0.05 -2.56 0.60 0.00 -0.55 0.00 0.00 41.25 38.68 1m3i s ASN 199 CO -0.00 -0.70 1.66 0.00 -2.79 0.00 0.00 177.10 175.27 1m3i h ALA 200 N 7.64 1.11 -0.71 1.71 0.00 -1.88 0.01 119.26 127.14 1m3i h ALA 200 Ca -0.39 0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1m3i h ALA 200 Cb 1.18 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 1m3i h ALA 200 CO 0.89 -0.42 0.40 0.87 0.00 0.00 0.00 179.25 180.99 1m3i h LYS 201 N 0.21 0.70 -0.46 0.00 1.79 -1.97 -1.42 116.57 115.43 1m3i h LYS 201 Ca 0.49 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 59.01 1m3i h LYS 201 Cb 0.94 -0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.33 1m3i h LYS 201 CO -0.62 0.46 -0.24 0.28 -1.08 0.00 0.00 179.45 178.25 1m3i h VAL 202 N 0.72 0.33 0.18 0.50 2.07 -1.37 0.73 116.25 119.41 1m3i h VAL 202 Ca 0.32 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 1m3i h VAL 202 Cb 0.21 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1m3i h VAL 202 CO -0.19 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 177.24 1m3i h LEU 203 N -0.15 -0.20 -1.48 2.57 3.38 -1.46 0.17 115.31 118.14 1m3i h LEU 203 Ca 0.21 -0.18 0.24 0.00 0.09 0.00 0.00 57.88 58.24 1m3i h LEU 203 Cb 0.48 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1m3i h LEU 203 CO -0.55 0.07 0.64 -0.08 0.09 0.00 0.00 178.44 178.61 1m3i h GLU 204 N -0.48 0.37 0.00 1.13 4.81 -0.36 0.40 114.58 120.44 1m3i h GLU 204 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1m3i h GLU 204 Cb 0.37 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1m3i h GLU 204 CO 0.04 0.24 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.56 1m3i h ASN 205 N 0.38 0.00 0.30 1.04 4.21 0.76 -2.76 115.58 119.51 1m3i h ASN 205 Ca 0.52 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.02 1m3i h ASN 205 Cb 1.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.57 1m3i h ASN 205 CO -0.21 0.34 -0.14 0.28 -1.29 0.00 0.00 177.43 176.40 1m3i h SER 206 N -0.58 -0.34 1.29 5.81 0.02 -0.58 -3.11 113.55 116.06 1m3i h SER 206 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1m3i h SER 206 Cb 0.10 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1m3i h SER 206 CO 0.00 -0.06 -0.16 0.18 -1.14 0.00 0.00 176.83 175.65 1m3i n LEU 207 N -5.17 0.76 -3.27 5.07 4.77 0.11 -4.96 117.00 114.30 1m3i n LEU 207 Ca -0.10 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1m3i n LEU 207 Cb 0.24 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1m3i n LEU 207 CO 0.33 -0.14 0.17 0.61 -1.33 0.00 0.00 177.39 177.02 1m3i n GLY 208 N 1.33 -1.23 3.68 -0.72 0.00 0.31 -4.93 105.19 103.63 1m3i n GLY 208 Ca 0.05 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 1m3i n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m3i s VAL 209 N -3.08 5.04 -1.29 1.61 1.01 -1.20 -4.97 120.40 117.52 1m3i s VAL 209 Ca 0.09 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 1m3i s VAL 209 Cb -0.02 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.52 1m3i s VAL 209 CO 0.79 0.17 1.77 -0.67 0.00 0.00 0.00 175.10 177.16 1m3i n ASP 210 N 4.53 4.90 0.29 3.32 -0.08 -1.26 -4.77 116.55 123.48 1m3i n ASP 210 Ca -0.02 -2.99 0.17 0.00 -1.51 0.00 0.00 54.79 50.45 1m3i n ASP 210 Cb 0.50 -1.59 0.85 0.00 2.34 0.00 0.00 41.12 43.23 1m3i n ASP 210 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1m3i h PHE 211 N 6.57 0.00 0.13 -0.67 -1.00 -1.99 -2.02 116.94 117.97 1m3i h PHE 211 Ca 0.41 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 1m3i h PHE 211 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.32 1m3i h PHE 211 CO 1.27 0.00 -0.06 -0.97 -1.61 0.00 0.00 178.31 176.94 1m3i h ASN 212 N 0.00 -0.15 -0.83 2.17 -1.24 -1.99 -1.66 115.58 111.88 1m3i h ASN 212 Ca 0.04 0.01 0.21 0.00 0.71 0.00 0.00 56.30 57.26 1m3i h ASN 212 Cb 0.64 0.04 -0.14 0.00 0.73 0.00 0.00 38.32 39.59 1m3i h ASN 212 CO -0.00 0.12 0.11 0.00 -1.29 0.00 0.00 177.43 176.36 1m3i h ALA 213 N -1.47 1.04 -0.26 1.57 0.00 -1.88 1.29 119.26 119.54 1m3i h ALA 213 Ca -0.02 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1m3i h ALA 213 Cb 0.14 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1m3i h ALA 213 CO 0.03 -0.45 -0.21 0.28 0.00 0.00 0.00 179.25 178.89 1m3i h VAL 214 N 0.14 0.43 -0.26 0.00 2.07 -1.46 0.14 116.25 117.32 1m3i h VAL 214 Ca 0.49 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.04 1m3i h VAL 214 Cb 0.94 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1m3i h VAL 214 CO -0.69 0.00 0.06 0.00 0.02 0.00 0.00 177.57 176.96 1m3i h ALA 215 N 0.90 0.27 0.00 1.67 0.00 0.24 -0.51 119.26 121.83 1m3i h ALA 215 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1m3i h ALA 215 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1m3i h ALA 215 CO -0.39 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 178.60 1m3i n ASN 216 N -5.07 0.00 -3.71 0.00 3.02 0.11 -4.85 115.26 104.77 1m3i n ASN 216 Ca -0.01 -1.34 -0.24 0.00 -0.03 0.00 0.00 54.58 52.97 1m3i n ASN 216 Cb 0.11 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1m3i n ASN 216 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1m3i n ASN 217 N -0.59 -3.22 -0.15 6.41 2.85 -0.17 -4.87 115.26 115.53 1m3i n ASN 217 Ca 0.03 -0.73 0.06 0.00 -0.11 0.00 0.00 54.58 53.83 1m3i n ASN 217 Cb 0.01 -4.32 -0.03 0.00 1.24 0.00 0.00 39.78 36.68 1m3i n ASN 217 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1m3i n GLU 218 N -4.49 2.44 -3.87 1.20 1.02 0.32 -4.98 120.64 112.28 1m3i n GLU 218 Ca -0.15 -0.36 -0.11 0.00 -0.02 0.00 0.00 57.16 56.52 1m3i n GLU 218 Cb 0.61 -1.12 -0.11 0.00 -0.02 0.00 0.00 31.44 30.81 1m3i n GLU 218 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1m3i s LYS 219 N -1.87 0.40 -0.20 3.49 1.02 -1.23 -4.68 119.74 116.67 1m3i s LYS 219 Ca 0.08 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 1m3i s LYS 219 Cb 0.10 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 1m3i s LYS 219 CO 0.41 -0.09 -0.14 0.15 -0.92 0.00 0.00 175.35 174.76 1m3i s LYS 220 N -1.05 3.08 -0.03 1.68 -0.14 0.12 -4.50 119.74 118.91 1m3i s LYS 220 Ca -0.11 -0.79 0.04 0.00 -1.36 0.00 0.00 55.97 53.75 1m3i s LYS 220 Cb -0.06 -2.74 -0.00 0.00 -1.68 0.00 0.00 37.83 33.34 1m3i s LYS 220 CO 0.01 -0.23 -0.15 0.08 -0.76 0.00 0.00 175.35 174.30 1m3i s VAL 221 N 1.35 1.24 -0.05 3.17 1.01 -1.26 -1.18 120.40 124.67 1m3i s VAL 221 Ca 0.05 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1m3i s VAL 221 Cb -0.14 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1m3i s VAL 221 CO -0.09 0.36 -0.16 -0.32 0.00 0.00 0.00 175.10 174.89 1m3i s MET 222 N 0.00 1.81 -0.04 2.72 1.75 0.18 -0.67 119.30 125.05 1m3i s MET 222 Ca -0.02 -0.57 0.06 0.00 -1.25 0.00 0.00 55.69 53.92 1m3i s MET 222 Cb -0.10 -1.54 -0.02 0.00 2.84 0.00 0.00 34.83 36.01 1m3i s MET 222 CO 0.01 0.18 -0.21 0.42 -0.65 0.00 0.00 175.02 174.77 1m3i s ILE 223 N 0.22 2.47 0.10 10.11 1.01 -0.43 0.51 121.20 135.19 1m3i s ILE 223 Ca -0.07 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.73 1m3i s ILE 223 Cb -0.13 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1m3i s ILE 223 CO 0.03 0.58 -0.25 -0.76 0.00 0.00 0.00 174.94 174.55 1m3i s LEU 224 N -0.60 2.37 -0.09 2.97 1.43 0.14 -1.83 118.68 123.07 1m3i s LEU 224 Ca 0.09 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1m3i s LEU 224 Cb -0.11 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1m3i s LEU 224 CO 0.00 0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.77 1m3i s ALA 225 N -1.00 0.88 -0.71 4.21 0.00 0.31 -1.46 121.76 123.99 1m3i s ALA 225 Ca 0.14 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 1m3i s ALA 225 Cb -0.10 -0.82 0.18 0.00 0.00 0.00 0.00 23.12 22.39 1m3i s ALA 225 CO 0.06 -0.50 0.62 0.71 0.00 0.00 0.00 175.76 176.65 1m3i s TYR 226 N 1.90 3.59 -0.15 0.00 1.51 0.18 -1.67 117.35 122.70 1m3i s TYR 226 Ca 0.05 -2.05 -0.29 0.00 -1.01 0.00 0.00 57.07 53.77 1m3i s TYR 226 Cb -0.13 -3.65 -0.01 0.00 -0.11 0.00 0.00 41.96 38.06 1m3i s TYR 226 CO -0.06 -0.96 1.16 0.21 -1.11 0.00 0.00 175.55 174.79 1m3i s LYS 227 N 0.43 4.29 -0.35 -0.62 2.20 -0.15 -1.68 119.74 123.85 1m3i s LYS 227 Ca 0.14 1.56 0.02 0.00 -0.36 0.00 0.00 55.97 57.33 1m3i s LYS 227 Cb -0.17 -3.66 0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1m3i s LYS 227 CO -0.05 -0.59 0.08 -0.65 -0.36 0.00 0.00 175.35 173.78 1m3i s GLN 228 N 2.97 1.65 -0.06 4.03 -0.21 0.05 0.89 119.66 128.98 1m3i s GLN 228 Ca 0.51 -1.83 -0.21 0.00 0.02 0.00 0.00 55.36 53.85 1m3i s GLN 228 Cb -0.20 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 1m3i s GLN 228 CO 0.14 -0.95 0.60 0.42 -2.12 0.00 0.00 175.29 173.38 1m3i s ILE 229 N 0.97 5.03 -0.20 1.08 1.01 -0.91 -1.62 121.20 126.56 1m3i s ILE 229 Ca 0.09 1.23 -0.18 0.00 0.00 0.00 0.00 60.65 61.79 1m3i s ILE 229 Cb -0.20 -3.94 -0.19 0.00 0.01 0.00 0.00 42.46 38.14 1m3i s ILE 229 CO -0.07 0.34 0.17 0.49 0.00 0.00 0.00 174.94 175.87 1m3i n PHE 230 N 3.32 0.94 -3.82 3.97 3.72 0.10 -0.19 117.46 125.51 1m3i n PHE 230 Ca -0.05 0.37 -0.05 0.00 -0.05 0.00 0.00 57.45 57.66 1m3i n PHE 230 Cb 0.51 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.96 1m3i n PHE 230 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1m3i s TYR 231 N -2.41 -0.03 0.10 1.38 1.13 -1.20 -4.84 117.35 111.48 1m3i s TYR 231 Ca -0.29 -0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 54.93 1m3i s TYR 231 Cb 0.07 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.61 1m3i s TYR 231 CO 0.61 -1.12 0.04 0.95 -2.51 0.00 0.00 175.55 173.51 1m3i s THR 232 N -2.90 0.14 -0.03 -3.49 -4.23 -1.26 -1.46 115.64 102.42 1m3i s THR 232 Ca 0.15 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1m3i s THR 232 Cb -0.04 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.98 1m3i s THR 232 CO 0.06 -0.65 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.76 1m3i s VAL 233 N -4.00 0.47 0.24 2.29 1.01 -0.54 -2.02 120.40 117.85 1m3i s VAL 233 Ca 0.18 -0.15 0.12 0.00 0.00 0.00 0.00 61.98 62.13 1m3i s VAL 233 Cb 0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1m3i s VAL 233 CO -0.03 0.18 -0.21 -0.94 0.00 0.00 0.00 175.10 174.10 1m3i s SER 234 N 0.53 3.50 -0.24 3.32 1.04 -0.08 -1.13 113.70 120.63 1m3i s SER 234 Ca -0.06 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.43 1m3i s SER 234 Cb -0.10 -0.28 0.05 0.00 0.10 0.00 0.00 66.02 65.79 1m3i s SER 234 CO -0.00 0.07 -0.12 0.00 0.98 0.00 0.00 173.24 174.16 1m3i s ALA 235 N -2.19 2.49 0.09 5.32 0.00 -0.49 -0.12 121.76 126.86 1m3i s ALA 235 Ca 0.26 -1.64 -0.35 0.00 0.00 0.00 0.00 51.96 50.23 1m3i s ALA 235 Cb -0.06 -1.50 -0.18 0.00 0.00 0.00 0.00 23.12 21.38 1m3i s ALA 235 CO 0.13 -1.03 0.99 -0.25 0.00 0.00 0.00 175.76 175.60 1m3i n ASP 236 N 4.48 0.17 -4.75 0.00 8.00 -0.37 -4.84 116.55 119.24 1m3i n ASP 236 Ca -0.15 1.15 -0.41 0.00 0.71 0.00 0.00 54.79 56.09 1m3i n ASP 236 Cb 0.44 -1.02 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 1m3i n ASP 236 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m3i s LEU 237 N 0.86 4.52 0.40 0.64 1.43 -1.26 -4.80 118.68 120.47 1m3i s LEU 237 Ca 0.80 2.15 -0.18 0.00 -1.03 0.00 0.00 54.13 55.87 1m3i s LEU 237 Cb -1.07 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 41.44 1m3i s LEU 237 CO 0.55 -0.17 0.86 -2.16 0.23 0.00 0.00 176.35 175.66 1m3i s PRO 238 N -0.80 4.09 0.18 1.29 0.04 -1.26 -4.98 135.00 133.56 1m3i s PRO 238 Ca 0.47 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1m3i s PRO 238 Cb -0.30 -2.28 0.10 0.00 0.04 0.00 0.00 34.50 32.05 1m3i s PRO 238 CO 0.37 0.02 1.81 -0.22 0.04 0.00 0.00 177.00 179.01 1m3i h LYS 239 N 1.91 0.85 -4.05 4.56 1.63 -1.98 -3.44 116.57 116.04 1m3i h LYS 239 Ca -0.48 -0.09 -0.22 0.00 -0.85 0.00 0.00 60.65 59.01 1m3i h LYS 239 Cb 1.18 -0.17 -0.23 0.00 -0.60 0.00 0.00 32.23 32.40 1m3i h LYS 239 CO 0.63 0.63 -0.72 -0.80 -3.45 0.00 0.00 179.45 175.74 1m3i s ASN 240 N -5.89 0.33 0.27 4.20 0.01 -1.26 -5.06 114.94 107.53 1m3i s ASN 240 Ca -0.13 -0.35 -0.06 0.00 -0.71 0.00 0.00 52.86 51.61 1m3i s ASN 240 Cb 0.13 0.05 0.47 0.00 0.41 0.00 0.00 41.25 42.32 1m3i s ASN 240 CO 0.77 -0.18 1.45 -2.65 -1.51 0.00 0.00 177.10 174.98 1m3i n PRO 241 N 2.05 -0.08 -0.33 -0.60 -0.02 -1.26 -0.30 135.00 134.46 1m3i n PRO 241 Ca -0.20 1.44 0.23 0.00 -2.02 0.00 0.00 63.50 62.95 1m3i n PRO 241 Cb 0.56 -2.17 0.45 0.00 -0.02 0.00 0.00 33.50 32.32 1m3i n PRO 241 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1m3i h SER 242 N 0.00 0.45 0.00 2.55 4.64 -1.95 0.37 113.55 119.61 1m3i h SER 242 Ca 0.47 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1m3i h SER 242 Cb 0.76 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1m3i h SER 242 CO -0.94 -0.14 0.21 0.44 -0.87 0.00 0.00 176.83 175.52 1m3i h ASP 243 N 0.31 0.00 0.08 4.97 3.32 -1.07 -1.44 116.42 122.59 1m3i h ASP 243 Ca 0.71 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.53 1m3i h ASP 243 Cb 1.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 1m3i h ASP 243 CO -0.62 0.00 -1.19 -0.07 -1.72 0.00 0.00 179.24 175.64 1m3i h LEU 244 N 0.00 0.27-10.23 1.55 3.38 -0.39 -3.41 115.31 106.48 1m3i h LEU 244 Ca 0.00 -0.81 -0.49 0.00 0.09 0.00 0.00 57.88 56.66 1m3i h LEU 244 Cb 0.41 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.09 1m3i h LEU 244 CO 0.00 1.51 -0.01 -0.36 0.09 0.00 0.00 178.44 179.68 1m3i s PHE 245 N -2.42 3.52 1.01 1.13 0.40 -0.54 0.10 117.98 121.18 1m3i s PHE 245 Ca -0.21 0.70 -0.15 0.00 -0.60 0.00 0.00 56.93 56.67 1m3i s PHE 245 Cb 0.04 -2.19 0.20 0.00 0.51 0.00 0.00 43.02 41.58 1m3i s PHE 245 CO 0.73 -0.08 1.16 0.34 0.70 0.00 0.00 175.22 178.07 1m3i s ASP 246 N -3.78 2.60 0.16 1.36 2.15 -0.98 -4.15 116.67 114.02 1m3i s ASP 246 Ca 0.45 0.75 0.05 0.00 0.43 0.00 0.00 52.55 54.24 1m3i s ASP 246 Cb -0.10 -1.14 -0.05 0.00 -0.30 0.00 0.00 42.92 41.33 1m3i s ASP 246 CO 0.38 -3.10 1.36 0.44 -0.17 0.00 0.00 175.17 174.08 1m3i h ASP 247 N -1.88 0.12 0.00 -0.34 3.32 -1.92 -3.14 116.42 112.58 1m3i h ASP 247 Ca -0.48 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1m3i h ASP 247 Cb 1.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1m3i h ASP 247 CO 0.49 0.97 0.02 -1.54 -1.72 0.00 0.00 179.24 177.46 1m3i n SER 248 N -3.54 0.53 -4.80 6.45 3.41 -1.26 -4.63 113.62 109.78 1m3i n SER 248 Ca -0.02 0.74 -0.38 0.00 -0.26 0.00 0.00 58.87 58.95 1m3i n SER 248 Cb 0.85 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1m3i n SER 248 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1m3i s VAL 249 N -3.52 4.90 0.18 -3.33 1.01 -1.19 -5.09 120.40 113.37 1m3i s VAL 249 Ca -0.02 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1m3i s VAL 249 Cb 0.06 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1m3i s VAL 249 CO 0.19 0.51 -0.17 0.42 0.00 0.00 0.00 175.10 176.04 1m3i s THR 250 N -0.70 1.81 0.39 3.92 -4.23 -1.26 -4.84 115.64 110.72 1m3i s THR 250 Ca 0.28 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.89 1m3i s THR 250 Cb -0.18 -1.92 0.35 0.00 1.34 0.00 0.00 72.50 72.09 1m3i s THR 250 CO 0.16 -0.41 1.86 0.15 -0.54 0.00 0.00 174.62 175.84 1m3i h PHE 251 N 2.98 0.67 0.00 3.99 3.57 -1.71 0.72 116.94 127.16 1m3i h PHE 251 Ca -0.41 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1m3i h PHE 251 Cb 1.21 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1m3i h PHE 251 CO 0.70 0.20 -0.01 -0.91 -2.23 0.00 0.00 178.31 176.07 1m3i h ASN 252 N 0.53 0.00 0.24 0.41 2.35 -1.90 1.00 115.58 118.20 1m3i h ASN 252 Ca 0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.20 1m3i h ASN 252 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1m3i h ASN 252 CO -0.20 0.01 -0.11 0.44 -1.65 0.00 0.00 177.43 175.91 1m3i h ASP 253 N 0.00 -0.27 0.03 5.81 3.32 -1.25 0.14 116.42 124.20 1m3i h ASP 253 Ca -0.00 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1m3i h ASP 253 Cb 0.02 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1m3i h ASP 253 CO 0.00 0.13 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.44 1m3i h LEU 254 N -0.72 -0.39 -2.51 1.55 3.38 -1.12 0.74 115.31 116.24 1m3i h LEU 254 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1m3i h LEU 254 Cb 0.49 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1m3i h LEU 254 CO 0.05 -0.20 0.00 0.50 0.09 0.00 0.00 178.44 178.89 1m3i h LYS 255 N -0.25 0.00 0.07 1.13 3.64 0.97 0.86 116.57 123.00 1m3i h LYS 255 Ca 0.04 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 1m3i h LYS 255 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1m3i h LYS 255 CO -0.11 0.00 -1.10 0.37 -2.27 0.00 0.00 179.45 176.34 1m3i h GLN 256 N 0.00 0.15 -0.16 1.90 -0.00 0.25 -3.33 115.11 113.92 1m3i h GLN 256 Ca 0.00 -0.25 0.05 0.00 -0.00 0.00 0.00 58.65 58.44 1m3i h GLN 256 Cb 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.59 1m3i h GLN 256 CO 0.00 1.12 0.15 0.87 0.00 0.00 0.00 178.83 180.97 1m3i h LYS 257 N -0.59 0.00 0.00 1.69 1.79 0.12 -3.44 116.57 116.14 1m3i h LYS 257 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1m3i h LYS 257 Cb 1.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1m3i h LYS 257 CO -0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.77 1m3i n GLY 258 N -1.45 0.43 3.66 3.86 0.00 -0.75 -5.08 105.19 105.86 1m3i n GLY 258 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 1m3i n GLY 258 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1m3i n VAL 259 N 0.00 0.05 -2.82 1.61 0.31 0.21 -4.53 118.33 113.17 1m3i n VAL 259 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1m3i n VAL 259 Cb 0.00 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1m3i n VAL 259 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1m3i n SER 260 N 3.60 0.00 0.12 4.52 3.41 -1.03 -4.09 113.62 120.16 1m3i n SER 260 Ca 0.18 -0.64 0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1m3i n SER 260 Cb 0.27 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.43 1m3i n SER 260 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1m3i h ASN 261 N 0.00 0.00 0.24 4.04 2.35 -1.91 -2.66 115.58 117.65 1m3i h ASN 261 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1m3i h ASN 261 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1m3i h ASN 261 CO 0.00 0.03 -1.32 -0.62 -1.65 0.00 0.00 177.43 173.87 1m3i n GLU 262 N -2.52 0.36 -3.18 0.81 4.71 -1.26 -4.53 120.64 115.03 1m3i n GLU 262 Ca 0.04 -0.06 -0.20 0.00 -0.01 0.00 0.00 57.16 56.93 1m3i n GLU 262 Cb 0.48 -1.57 -0.04 0.00 -1.01 0.00 0.00 31.44 29.31 1m3i n GLU 262 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1m3i n ALA 263 N -1.91 2.24 -1.63 0.62 0.00 -1.18 -4.56 120.51 114.08 1m3i n ALA 263 Ca 0.00 -3.49 -0.38 0.00 0.00 0.00 0.00 53.44 49.58 1m3i n ALA 263 Cb 0.46 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1m3i n ALA 263 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1m3i n PRO 264 N 0.46 1.06 -3.13 0.00 -0.02 -1.01 -2.45 135.00 129.91 1m3i n PRO 264 Ca 0.25 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 1m3i n PRO 264 Cb 0.62 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1m3i n PRO 264 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1m3i s PRO 265 N -2.70 4.07 0.24 0.52 0.04 -1.26 0.34 135.00 136.25 1m3i s PRO 265 Ca 0.74 0.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 1m3i s PRO 265 Cb -0.43 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1m3i s PRO 265 CO 0.48 0.22 0.36 -0.48 0.04 0.00 0.00 177.00 177.63 1m3i s LEU 266 N -2.70 0.66 -0.02 -3.56 0.05 -0.51 -1.15 118.68 111.44 1m3i s LEU 266 Ca 0.51 -1.13 0.03 0.00 0.05 0.00 0.00 54.13 53.58 1m3i s LEU 266 Cb -0.12 1.28 0.00 0.00 -2.05 0.00 0.00 46.19 45.30 1m3i s LEU 266 CO 0.18 -1.06 -0.09 -0.32 -0.55 0.00 0.00 176.35 174.51 1m3i s MET 267 N -3.98 0.97 -0.30 1.48 1.75 0.12 -1.83 119.30 117.50 1m3i s MET 267 Ca 0.29 -0.32 -0.28 0.00 -1.25 0.00 0.00 55.69 54.12 1m3i s MET 267 Cb 0.02 -0.91 -0.02 0.00 2.84 0.00 0.00 34.83 36.76 1m3i s MET 267 CO 0.11 0.13 1.83 0.08 -0.65 0.00 0.00 175.02 176.52 1m3i s VAL 268 N 0.13 3.44 -0.01 10.11 1.01 -0.81 -0.82 120.40 133.45 1m3i s VAL 268 Ca -0.02 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1m3i s VAL 268 Cb -0.08 -3.57 -0.28 0.00 0.00 0.00 0.00 36.38 32.44 1m3i s VAL 268 CO 0.00 -0.35 0.80 0.77 0.00 0.00 0.00 175.10 176.32 1m3i h SER 269 N 12.85 0.42 -4.96 3.32 4.64 -1.01 0.29 113.55 129.11 1m3i h SER 269 Ca -0.35 -0.61 -0.18 0.00 -0.47 0.00 0.00 61.79 60.18 1m3i h SER 269 Cb 1.18 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 62.93 1m3i h SER 269 CO 1.02 1.51 -0.70 0.20 -0.87 0.00 0.00 176.83 177.99 1m3i s ASN 270 N -7.01 0.42 -0.07 4.97 0.01 -0.99 -1.39 114.94 110.87 1m3i s ASN 270 Ca -0.11 -0.59 -0.03 0.00 -0.71 0.00 0.00 52.86 51.42 1m3i s ASN 270 Cb 0.07 0.10 0.04 0.00 0.41 0.00 0.00 41.25 41.87 1m3i s ASN 270 CO 0.85 -0.33 0.13 -0.69 -1.51 0.00 0.00 177.10 175.55 1m3i s VAL 271 N -1.85 -0.15 -0.03 1.60 1.01 -0.28 -1.84 120.40 118.85 1m3i s VAL 271 Ca -0.11 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1m3i s VAL 271 Cb -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1m3i s VAL 271 CO -0.02 0.12 0.39 0.00 0.00 0.00 0.00 175.10 175.59 1m3i s ALA 272 N 1.75 3.67 -0.07 5.51 0.00 -0.20 -1.47 121.76 130.95 1m3i s ALA 272 Ca -0.02 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1m3i s ALA 272 Cb -0.12 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 1m3i s ALA 272 CO -0.05 0.40 -0.22 0.71 0.00 0.00 0.00 175.76 176.60 1m3i s TYR 273 N -0.74 2.53 0.00 0.00 1.51 -0.53 0.80 117.35 120.92 1m3i s TYR 273 Ca 0.23 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1m3i s TYR 273 Cb -0.16 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1m3i s TYR 273 CO 0.12 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.77 1m3i n GLY 274 N 3.02 -0.52 3.74 0.71 0.00 -0.76 0.02 105.19 111.40 1m3i n GLY 274 Ca -0.18 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1m3i n GLY 274 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1m3i s ARG 275 N 0.00 1.37 -0.01 1.61 1.70 -0.64 -4.33 118.95 118.65 1m3i s ARG 275 Ca 0.00 -0.73 0.04 0.00 -0.47 0.00 0.00 55.73 54.57 1m3i s ARG 275 Cb 0.00 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 1m3i s ARG 275 CO 0.00 -0.63 -0.13 0.99 -1.08 0.00 0.00 175.30 174.45 1m3i s THR 276 N -3.53 1.03 -0.22 4.99 2.01 -0.87 -0.77 115.64 118.29 1m3i s THR 276 Ca 0.10 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 1m3i s THR 276 Cb -0.03 -0.87 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 1m3i s THR 276 CO 0.02 0.26 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.52 1m3i s ILE 277 N -0.36 3.20 -0.15 1.82 1.01 -0.68 -0.08 121.20 125.97 1m3i s ILE 277 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1m3i s ILE 277 Cb -0.05 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1m3i s ILE 277 CO -0.00 0.44 0.03 -0.31 0.00 0.00 0.00 174.94 175.09 1m3i s TYR 278 N 1.45 3.20 -0.07 3.97 1.51 -0.30 -0.65 117.35 126.46 1m3i s TYR 278 Ca 0.06 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1m3i s TYR 278 Cb -0.14 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1m3i s TYR 278 CO -0.05 0.22 -0.21 0.08 -1.11 0.00 0.00 175.55 174.48 1m3i s VAL 279 N -0.02 1.81 -0.08 0.71 1.01 -0.54 -1.44 120.40 121.84 1m3i s VAL 279 Ca 0.04 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1m3i s VAL 279 Cb -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1m3i s VAL 279 CO 0.02 0.51 -0.19 -0.75 0.00 0.00 0.00 175.10 174.69 1m3i s LYS 280 N 0.18 2.87 -0.26 2.72 2.20 0.95 -0.69 119.74 127.72 1m3i s LYS 280 Ca -0.11 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1m3i s LYS 280 Cb -0.15 -2.38 0.06 0.00 -1.51 0.00 0.00 37.83 33.85 1m3i s LYS 280 CO 0.05 0.36 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.79 1m3i s LEU 281 N -0.07 3.43 0.19 5.43 1.02 0.18 -0.51 118.68 128.35 1m3i s LEU 281 Ca -0.04 -1.39 0.11 0.00 0.02 0.00 0.00 54.13 52.82 1m3i s LEU 281 Cb -0.14 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 1m3i s LEU 281 CO 0.04 -0.19 -0.22 -1.83 0.02 0.00 0.00 176.35 174.17 1m3i s GLU 282 N 1.10 1.46 0.20 1.70 -1.05 -0.85 0.47 118.70 121.74 1m3i s GLU 282 Ca -0.09 -1.51 -0.22 0.00 -0.15 0.00 0.00 54.97 53.00 1m3i s GLU 282 Cb -0.20 -1.70 0.05 0.00 -0.44 0.00 0.00 34.13 31.84 1m3i s GLU 282 CO -0.05 0.36 0.63 -0.08 0.95 0.00 0.00 175.26 177.07 1m3i s THR 283 N -1.84 0.00 -0.42 1.83 -1.32 -0.33 -1.56 115.64 112.01 1m3i s THR 283 Ca 0.20 -0.39 0.17 0.00 -1.21 0.00 0.00 61.69 60.46 1m3i s THR 283 Cb -0.07 -1.37 -0.22 0.00 -1.51 0.00 0.00 72.50 69.33 1m3i s THR 283 CO 0.09 -0.01 0.54 0.35 -2.21 0.00 0.00 174.62 173.39 1m3i n THR 284 N -0.40 0.00 -1.68 5.08 -2.24 -1.22 -0.70 114.28 113.12 1m3i n THR 284 Ca -0.12 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 1m3i n THR 284 Cb 0.63 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1m3i n THR 284 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m3i n SER 285 N -1.72 2.09 -0.64 3.42 2.88 -1.26 -4.82 113.62 113.57 1m3i n SER 285 Ca 0.00 1.03 0.06 0.00 -1.33 0.00 0.00 58.87 58.63 1m3i n SER 285 Cb 0.34 -1.47 0.14 0.00 -0.75 0.00 0.00 64.21 62.47 1m3i n SER 285 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1m3i n SER 286 N -0.09 2.76 -4.68 -3.46 7.64 -1.26 -4.64 113.62 109.90 1m3i n SER 286 Ca 0.09 -1.88 -0.37 0.00 1.01 0.00 0.00 58.87 57.72 1m3i n SER 286 Cb 0.41 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.50 1m3i n SER 286 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1m3i n SER 287 N 0.61 1.40 -0.27 6.43 2.88 -1.26 -3.61 113.62 119.80 1m3i n SER 287 Ca 0.11 0.77 0.09 0.00 -1.33 0.00 0.00 58.87 58.51 1m3i n SER 287 Cb 0.41 -1.49 0.39 0.00 -0.75 0.00 0.00 64.21 62.77 1m3i n SER 287 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1m3i n LYS 288 N -1.84 1.35 0.01 -1.46 2.85 -1.26 -3.34 118.16 114.48 1m3i n LYS 288 Ca 0.15 -0.53 0.11 0.00 -1.05 0.00 0.00 58.31 56.99 1m3i n LYS 288 Cb 0.48 -1.30 -0.06 0.00 -0.65 0.00 0.00 35.03 33.50 1m3i n LYS 288 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m3i n ASP 289 N -0.22 0.64 -0.17 -5.58 10.43 -1.26 -4.56 116.55 115.83 1m3i n ASP 289 Ca 0.13 -0.50 -0.04 0.00 2.57 0.00 0.00 54.79 56.95 1m3i n ASP 289 Cb 0.18 1.09 -0.04 0.00 1.84 0.00 0.00 41.12 44.19 1m3i n ASP 289 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1m3i n VAL 290 N -1.80 -0.28 -0.28 2.53 0.31 -1.21 0.27 118.33 117.88 1m3i n VAL 290 Ca 0.02 1.78 -0.09 0.00 -0.01 0.00 0.00 64.34 66.03 1m3i n VAL 290 Cb 0.41 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 1m3i n VAL 290 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1m3i h GLN 291 N 0.00 -0.16 -0.52 5.55 4.15 -1.87 0.80 115.11 123.05 1m3i h GLN 291 Ca 0.06 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.60 1m3i h GLN 291 Cb 0.17 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 1m3i h GLN 291 CO -0.38 -0.11 0.02 0.00 -1.93 0.00 0.00 178.83 176.43 1m3i h ALA 292 N 0.53 0.52 -0.47 3.38 0.00 -1.29 -0.16 119.26 121.78 1m3i h ALA 292 Ca 0.17 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1m3i h ALA 292 Cb 0.53 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1m3i h ALA 292 CO -0.78 -0.37 0.26 0.00 0.00 0.00 0.00 179.25 178.36 1m3i h ALA 293 N 1.46 0.59 -0.26 0.00 0.00 0.35 0.83 119.26 122.23 1m3i h ALA 293 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1m3i h ALA 293 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1m3i h ALA 293 CO -0.42 -0.06 0.12 0.74 0.00 0.00 0.00 179.25 179.63 1m3i h PHE 294 N 0.52 0.23 -0.62 0.00 0.05 0.16 -0.38 116.94 116.91 1m3i h PHE 294 Ca 0.19 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.98 1m3i h PHE 294 Cb 0.05 -0.07 -0.03 0.00 2.00 0.00 0.00 35.95 37.90 1m3i h PHE 294 CO -0.08 0.13 0.34 0.87 -0.18 0.00 0.00 178.31 179.38 1m3i h LYS 295 N 0.26 0.86 -0.79 1.51 1.57 -0.60 0.99 116.57 120.37 1m3i h LYS 295 Ca 0.11 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1m3i h LYS 295 Cb 0.03 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 1m3i h LYS 295 CO -0.08 0.65 0.47 0.00 -0.57 0.00 0.00 179.45 179.93 1m3i h ALA 296 N 1.16 1.08 -0.05 3.86 0.00 -0.37 0.13 119.26 125.06 1m3i h ALA 296 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1m3i h ALA 296 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1m3i h ALA 296 CO -0.03 0.19 0.00 1.25 0.00 0.00 0.00 179.25 180.66 1m3i h LEU 297 N 0.86 0.09 0.81 0.00 5.85 -0.47 -0.00 115.31 122.44 1m3i h LEU 297 Ca 0.35 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1m3i h LEU 297 Cb 0.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1m3i h LEU 297 CO -0.18 0.35 -0.43 0.40 -0.34 0.00 0.00 178.44 178.25 1m3i h ILE 298 N -0.18 0.00 0.00 4.05 2.04 -0.21 -2.65 117.51 120.56 1m3i h ILE 298 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1m3i h ILE 298 Cb 0.30 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1m3i h ILE 298 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1m3i n LYS 299 N -5.16 0.09 -3.38 2.37 5.02 0.38 -4.88 118.16 112.61 1m3i n LYS 299 Ca -0.14 0.43 -0.19 0.00 -2.02 0.00 0.00 58.31 56.39 1m3i n LYS 299 Cb 0.46 -1.72 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1m3i n LYS 299 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1m3i n ASN 300 N -1.90 -6.04 -3.06 4.39 2.85 -0.11 -5.00 115.26 106.39 1m3i n ASN 300 Ca 0.01 -0.79 -0.16 0.00 -0.11 0.00 0.00 54.58 53.53 1m3i n ASN 300 Cb 0.13 -4.73 0.12 0.00 1.24 0.00 0.00 39.78 36.54 1m3i n ASN 300 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1m3i n THR 301 N -3.53 0.00 0.97 -0.44 -2.24 -0.61 -4.99 114.28 103.45 1m3i n THR 301 Ca -0.09 -0.52 0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1m3i n THR 301 Cb 0.62 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1m3i n THR 301 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1m3i n ASP 302 N -3.54 2.05 -1.92 3.42 2.03 -1.26 -4.24 116.55 113.09 1m3i n ASP 302 Ca 0.09 -1.53 0.03 0.00 0.52 0.00 0.00 54.79 53.91 1m3i n ASP 302 Cb 0.32 0.45 0.38 0.00 -0.72 0.00 0.00 41.12 41.55 1m3i n ASP 302 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1m3i n ILE 303 N 0.05 2.79 -0.02 5.18 2.08 -1.26 -4.44 119.36 123.75 1m3i n ILE 303 Ca 0.09 -1.45 -0.14 0.00 0.56 0.00 0.00 62.75 61.81 1m3i n ILE 303 Cb 0.46 -0.31 -0.14 0.00 -0.75 0.00 0.00 39.64 38.91 1m3i n ILE 303 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1m3i n LYS 304 N 0.41 0.69 0.00 0.38 2.85 -1.26 -4.24 118.16 116.98 1m3i n LYS 304 Ca 0.31 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 1m3i n LYS 304 Cb 1.25 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 1m3i n LYS 304 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1m3i n ASN 305 N -3.22 0.50 -4.71 -5.58 3.02 -1.26 -4.38 115.26 99.64 1m3i n ASN 305 Ca -0.25 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.60 1m3i n ASN 305 Cb 1.05 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 1m3i n ASN 305 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1m3i s SER 306 N -0.57 7.32 0.60 6.41 1.04 -1.26 -4.86 113.70 122.38 1m3i s SER 306 Ca 0.00 1.75 0.28 0.00 0.48 0.00 0.00 55.95 58.47 1m3i s SER 306 Cb 0.00 -2.57 1.17 0.00 0.10 0.00 0.00 66.02 64.71 1m3i s SER 306 CO 0.00 -0.28 1.55 -0.61 0.98 0.00 0.00 173.24 174.88 1m3i h GLN 307 N 6.62 0.00 -0.17 4.02 5.75 -1.97 -0.38 115.11 128.98 1m3i h GLN 307 Ca -0.41 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.11 1m3i h GLN 307 Cb 1.22 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 1m3i h GLN 307 CO 0.76 0.00 -0.37 0.37 -2.65 0.00 0.00 178.83 176.94 1m3i h GLN 308 N 0.00 -0.33 -0.08 1.69 4.15 -1.90 -3.12 115.11 115.52 1m3i h GLN 308 Ca 0.39 0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.63 1m3i h GLN 308 Cb 2.23 0.07 0.01 0.00 0.21 0.00 0.00 27.48 30.01 1m3i h GLN 308 CO -0.00 -0.22 -0.73 1.88 -1.93 0.00 0.00 178.83 177.82 1m3i h TYR 309 N -0.34 0.90 -0.75 3.99 0.05 -1.30 -3.32 116.97 116.19 1m3i h TYR 309 Ca 0.03 -0.43 0.15 0.00 0.05 0.00 0.00 58.73 58.53 1m3i h TYR 309 Cb 0.43 -0.12 -0.14 0.00 1.01 0.00 0.00 36.73 37.91 1m3i h TYR 309 CO -0.60 1.25 -0.19 1.63 -1.05 0.00 0.00 178.16 179.20 1m3i n LYS 310 N -4.05 -0.07 -0.31 4.88 5.02 -1.12 0.23 118.16 122.74 1m3i n LYS 310 Ca -0.09 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 1m3i n LYS 310 Cb 0.73 -1.75 0.13 0.00 -0.02 0.00 0.00 35.03 34.12 1m3i n LYS 310 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1m3i h ASP 311 N 0.00 0.87 -0.28 4.39 5.19 -1.65 0.17 116.42 125.12 1m3i h ASP 311 Ca 0.36 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.74 1m3i h ASP 311 Cb 0.55 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1m3i h ASP 311 CO -0.77 0.57 0.03 0.40 -3.12 0.00 0.00 179.24 176.35 1m3i h ILE 312 N 1.01 1.24 -0.22 0.35 2.04 0.27 -3.07 117.51 119.13 1m3i h ILE 312 Ca 0.37 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1m3i h ILE 312 Cb 0.12 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1m3i h ILE 312 CO -0.16 0.27 0.12 1.88 0.00 0.00 0.00 178.15 180.26 1m3i h TYR 313 N 0.27 0.30 -0.26 1.37 0.99 -0.38 -1.78 116.97 117.48 1m3i h TYR 313 Ca 0.08 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.88 1m3i h TYR 313 Cb 0.36 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 1m3i h TYR 313 CO 0.03 0.26 0.47 0.93 -0.00 0.00 0.00 178.16 179.85 1m3i h GLU 314 N 0.25 0.00 -0.86 4.88 5.08 -0.63 0.66 114.58 123.95 1m3i h GLU 314 Ca 0.08 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.85 1m3i h GLU 314 Cb 0.06 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.92 1m3i h GLU 314 CO -0.01 0.00 -0.34 0.09 -1.00 0.00 0.00 179.01 177.75 1m3i n ASN 315 N -3.30 5.70 -4.33 1.42 4.13 -0.68 -5.01 115.26 113.18 1m3i n ASN 315 Ca 0.04 -3.76 -0.18 0.00 1.68 0.00 0.00 54.58 52.36 1m3i n ASN 315 Cb 0.60 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 38.21 1m3i n ASN 315 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1m3i s SER 316 N -3.09 2.50 -0.03 6.41 0.01 0.23 -3.37 113.70 116.35 1m3i s SER 316 Ca 0.55 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 1m3i s SER 316 Cb 0.44 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.57 1m3i s SER 316 CO 0.01 -0.16 0.03 -0.55 0.41 0.00 0.00 173.24 172.98 1m3i s SER 317 N -3.17 0.55 -0.10 2.44 0.15 -0.60 -4.71 113.70 108.25 1m3i s SER 317 Ca 0.20 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 1m3i s SER 317 Cb -0.01 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1m3i s SER 317 CO 0.06 -0.16 -0.04 -0.36 1.20 0.00 0.00 173.24 173.93 1m3i s PHE 318 N 1.45 3.02 0.05 3.44 2.99 0.29 -2.00 117.98 127.22 1m3i s PHE 318 Ca -0.04 -0.05 0.08 0.00 0.00 0.00 0.00 56.93 56.92 1m3i s PHE 318 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 43.02 41.05 1m3i s PHE 318 CO -0.03 0.24 -0.22 0.99 -0.00 0.00 0.00 175.22 176.20 1m3i s THR 319 N -0.43 1.80 -0.10 0.64 2.01 0.33 -1.31 115.64 118.58 1m3i s THR 319 Ca 0.07 -1.30 -0.05 0.00 0.31 0.00 0.00 61.69 60.71 1m3i s THR 319 Cb -0.12 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.86 1m3i s THR 319 CO 0.02 0.20 0.23 0.00 -0.69 0.00 0.00 174.62 174.38 1m3i s ALA 320 N -0.85 -0.52 -0.02 7.40 0.00 -0.37 -0.03 121.76 127.36 1m3i s ALA 320 Ca 0.09 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1m3i s ALA 320 Cb -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1m3i s ALA 320 CO 0.02 -0.18 -0.03 0.08 0.00 0.00 0.00 175.76 175.65 1m3i s VAL 321 N 1.08 0.37 -0.35 0.00 1.01 -0.52 -0.89 120.40 121.09 1m3i s VAL 321 Ca -0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1m3i s VAL 321 Cb -0.09 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1m3i s VAL 321 CO -0.07 0.16 0.18 -0.69 0.00 0.00 0.00 175.10 174.68 1m3i s VAL 322 N 0.56 4.55 -0.15 2.92 1.01 -0.81 -1.15 120.40 127.34 1m3i s VAL 322 Ca -0.06 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1m3i s VAL 322 Cb -0.10 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1m3i s VAL 322 CO -0.01 -0.11 0.35 -0.76 0.00 0.00 0.00 175.10 174.57 1m3i s LEU 323 N 1.57 4.24 -0.99 3.92 1.43 0.89 -4.14 118.68 125.60 1m3i s LEU 323 Ca 0.03 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1m3i s LEU 323 Cb -0.18 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1m3i s LEU 323 CO 0.06 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1m3i n GLY 324 N 3.41 0.28 1.85 -3.19 0.00 -1.26 -2.04 105.19 104.24 1m3i n GLY 324 Ca -0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1m3i n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m3i n GLY 325 N -1.19 0.15 0.42 -0.02 0.00 -1.26 -4.64 105.19 98.65 1m3i n GLY 325 Ca -0.12 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.10 1m3i n GLY 325 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m3i n ASP 326 N -3.08 1.27 -3.13 1.61 9.92 -1.26 -4.10 116.55 117.78 1m3i n ASP 326 Ca 0.08 -1.59 -0.21 0.00 -0.53 0.00 0.00 54.79 52.54 1m3i n ASP 326 Cb 0.28 -0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.66 1m3i n ASP 326 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m3i n ALA 327 N 0.04 2.75 -0.10 2.24 0.00 -1.26 -4.97 120.51 119.22 1m3i n ALA 327 Ca 0.17 -3.76 0.11 0.00 0.00 0.00 0.00 53.44 49.95 1m3i n ALA 327 Cb 0.28 -0.87 0.47 0.00 0.00 0.00 0.00 19.45 19.32 1m3i n ALA 327 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1m3i h GLN 328 N 3.06 0.47 -0.00 0.00 1.08 -1.93 -2.58 115.11 115.21 1m3i h GLN 328 Ca 0.11 -0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.06 1m3i h GLN 328 Cb 0.84 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1m3i h GLN 328 CO 0.59 0.31 -0.93 1.49 -0.95 0.00 0.00 178.83 179.34 1m3i h GLU 329 N 0.48 0.39 -2.46 1.46 4.81 -1.96 -3.35 114.58 113.95 1m3i h GLU 329 Ca 0.28 -0.42 -0.68 0.00 -0.13 0.00 0.00 59.36 58.40 1m3i h GLU 329 Cb 0.46 0.12 -0.36 0.00 0.63 0.00 0.00 28.75 29.60 1m3i h GLU 329 CO -0.08 1.09 -0.03 0.72 -0.73 0.00 0.00 179.01 179.98 1m3i n HIS 330 N -3.74 3.12 0.35 0.92 8.25 -0.98 -4.81 115.22 118.32 1m3i n HIS 330 Ca -0.06 -3.51 0.04 0.00 -0.26 0.00 0.00 57.72 53.92 1m3i n HIS 330 Cb 0.83 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1m3i n HIS 330 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1m3i n ASN 331 N 0.94 0.78 -4.58 0.41 6.94 -1.14 -4.86 115.26 113.73 1m3i n ASN 331 Ca 0.29 -0.89 -0.31 0.00 -0.02 0.00 0.00 54.58 53.65 1m3i n ASN 331 Cb 0.38 0.69 -0.10 0.00 -2.36 0.00 0.00 39.78 38.38 1m3i n ASN 331 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1m3i s LYS 332 N -1.40 2.41 -0.09 -3.83 2.20 -1.26 -1.92 119.74 115.86 1m3i s LYS 332 Ca 0.05 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 54.80 1m3i s LYS 332 Cb 0.06 -2.43 0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1m3i s LYS 332 CO 0.25 0.57 0.19 0.08 -0.36 0.00 0.00 175.35 176.07 1m3i s VAL 333 N -1.06 -0.11 -0.12 4.02 1.01 -0.07 -5.01 120.40 119.06 1m3i s VAL 333 Ca 0.18 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1m3i s VAL 333 Cb -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.98 1m3i s VAL 333 CO 0.10 0.09 -0.14 -0.69 0.00 0.00 0.00 175.10 174.46 1m3i s VAL 334 N 1.49 1.42 0.21 2.92 1.01 -1.26 -1.24 120.40 124.96 1m3i s VAL 334 Ca -0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1m3i s VAL 334 Cb -0.11 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1m3i s VAL 334 CO -0.07 0.43 0.32 -0.89 0.00 0.00 0.00 175.10 174.90 1m3i s THR 335 N 1.22 0.02 -1.24 3.92 2.01 -0.43 -4.99 115.64 116.16 1m3i s THR 335 Ca -0.02 -1.54 0.14 0.00 0.31 0.00 0.00 61.69 60.58 1m3i s THR 335 Cb -0.14 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1m3i s THR 335 CO -0.05 -0.11 0.76 0.29 -0.69 0.00 0.00 174.62 174.82 1m3i n LYS 336 N -0.29 1.86 -3.60 4.92 5.02 -1.26 -0.55 118.16 124.26 1m3i n LYS 336 Ca -0.03 -0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 55.16 1m3i n LYS 336 Cb 0.63 -1.20 -0.09 0.00 -0.02 0.00 0.00 35.03 34.35 1m3i n LYS 336 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1m3i s ASP 337 N -1.72 5.62 0.54 4.39 -1.08 -1.26 -4.95 116.67 118.21 1m3i s ASP 337 Ca 0.11 -1.75 0.24 0.00 -0.52 0.00 0.00 52.55 50.63 1m3i s ASP 337 Cb 0.11 -1.98 1.52 0.00 -1.46 0.00 0.00 42.92 41.12 1m3i s ASP 337 CO 0.36 -0.61 2.17 0.15 0.52 0.00 0.00 175.17 177.76 1m3i h PHE 338 N 8.39 0.00 -0.62 -5.34 3.57 -1.99 -1.62 116.94 119.33 1m3i h PHE 338 Ca -0.21 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.47 1m3i h PHE 338 Cb 1.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1m3i h PHE 338 CO 0.62 0.04 0.51 -0.44 -2.23 0.00 0.00 178.31 176.81 1m3i h ASP 339 N 0.00 0.00 0.13 0.41 3.45 -1.98 0.58 116.42 119.01 1m3i h ASP 339 Ca -0.00 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 1m3i h ASP 339 Cb 0.10 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1m3i h ASP 339 CO 0.01 0.00 -0.61 -0.33 -1.57 0.00 0.00 179.24 176.74 1m3i h GLU 340 N 0.00 0.47 -0.22 3.56 5.08 -1.73 -2.41 114.58 119.34 1m3i h GLU 340 Ca 0.30 -0.32 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1m3i h GLU 340 Cb 1.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1m3i h GLU 340 CO -0.00 0.94 -0.53 0.82 -1.00 0.00 0.00 179.01 179.23 1m3i h ILE 341 N 0.35 1.31 -0.88 3.13 1.08 -0.06 -2.82 117.51 119.62 1m3i h ILE 341 Ca -0.01 -1.76 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 1m3i h ILE 341 Cb 1.15 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 36.57 1m3i h ILE 341 CO 0.11 0.55 0.55 0.03 -0.69 0.00 0.00 178.15 178.71 1m3i h ARG 342 N 0.49 1.17 -0.10 2.37 3.08 -0.92 -2.62 114.38 117.86 1m3i h ARG 342 Ca 0.01 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1m3i h ARG 342 Cb 1.09 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1m3i h ARG 342 CO 0.11 0.80 0.04 -0.22 -1.07 0.00 0.00 179.97 179.63 1m3i h LYS 343 N 1.20 0.15 -0.53 0.04 3.64 -1.29 -0.96 116.57 118.81 1m3i h LYS 343 Ca 0.32 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.78 1m3i h LYS 343 Cb -0.09 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.60 1m3i h LYS 343 CO -0.06 0.24 -0.22 0.28 -2.27 0.00 0.00 179.45 177.41 1m3i h VAL 344 N 0.02 0.33 -0.03 2.00 2.07 -1.24 0.46 116.25 119.85 1m3i h VAL 344 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1m3i h VAL 344 Cb 0.14 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1m3i h VAL 344 CO -0.00 0.00 -0.04 0.40 0.02 0.00 0.00 177.57 177.95 1m3i h ILE 345 N -0.10 0.88 -0.13 4.57 2.04 -1.21 -2.15 117.51 121.42 1m3i h ILE 345 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.12 1m3i h ILE 345 Cb 0.48 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1m3i h ILE 345 CO -0.59 0.00 0.00 0.11 0.00 0.00 0.00 178.15 177.67 1m3i h LYS 346 N -0.06 0.05 -0.15 2.37 1.57 0.19 -1.94 116.57 118.60 1m3i h LYS 346 Ca 0.03 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1m3i h LYS 346 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1m3i h LYS 346 CO -0.07 0.03 0.17 -0.44 -0.57 0.00 0.00 179.45 178.58 1m3i h ASP 347 N 0.05 0.00 -0.61 0.86 3.32 0.03 -1.69 116.42 118.39 1m3i h ASP 347 Ca 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1m3i h ASP 347 Cb 0.07 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.52 1m3i h ASP 347 CO -0.10 0.00 0.17 0.59 -1.72 0.00 0.00 179.24 178.18 1m3i n ASN 348 N -3.77 4.52 -0.01 6.45 3.02 -0.74 -4.45 115.26 120.28 1m3i n ASN 348 Ca 0.01 -3.22 0.14 0.00 -0.03 0.00 0.00 54.58 51.47 1m3i n ASN 348 Cb 0.28 -0.70 0.64 0.00 -0.61 0.00 0.00 39.78 39.40 1m3i n ASN 348 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m3i n ALA 349 N -0.26 2.48 -2.36 5.41 0.00 -0.64 -4.82 120.51 120.32 1m3i n ALA 349 Ca 0.36 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 1m3i n ALA 349 Cb 1.26 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 1m3i n ALA 349 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1m3i s THR 350 N -2.83 1.71 0.02 0.00 2.01 -1.26 -1.82 115.64 113.46 1m3i s THR 350 Ca 0.19 -2.19 0.01 0.00 0.31 0.00 0.00 61.69 60.01 1m3i s THR 350 Cb 0.19 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1m3i s THR 350 CO 0.51 -0.53 -0.04 0.72 -0.69 0.00 0.00 174.62 174.60 1m3i s PHE 351 N -2.99 0.35 -0.20 4.92 -0.12 0.12 -4.80 117.98 115.27 1m3i s PHE 351 Ca 0.24 -0.32 -0.12 0.00 -0.05 0.00 0.00 56.93 56.68 1m3i s PHE 351 Cb 0.00 -0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 1m3i s PHE 351 CO 0.08 -0.09 0.22 0.45 -0.05 0.00 0.00 175.22 175.83 1m3i s SER 352 N -0.92 6.29 0.00 1.98 0.15 -1.26 -0.78 113.70 119.16 1m3i s SER 352 Ca -0.08 0.33 0.16 0.00 0.70 0.00 0.00 55.95 57.06 1m3i s SER 352 Cb -0.06 -2.14 0.93 0.00 -1.71 0.00 0.00 66.02 63.04 1m3i s SER 352 CO -0.00 0.10 1.38 0.35 1.20 0.00 0.00 173.24 176.27 1m3i n THR 353 N 3.79 0.10 -0.35 6.45 -2.24 0.22 -1.83 114.28 120.42 1m3i n THR 353 Ca -0.14 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1m3i n THR 353 Cb 0.52 -0.77 0.22 0.00 -2.10 0.00 0.00 70.33 68.19 1m3i n THR 353 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1m3i n LYS 354 N -1.05 2.94 -4.38 -0.78 5.02 -1.25 -4.93 118.16 113.73 1m3i n LYS 354 Ca 0.11 -2.33 -0.25 0.00 -2.02 0.00 0.00 58.31 53.82 1m3i n LYS 354 Cb 0.07 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 1m3i n LYS 354 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1m3i s ASN 355 N -1.10 3.10 0.27 4.39 -0.87 -0.76 -5.11 114.94 114.85 1m3i s ASN 355 Ca 0.33 -0.83 -0.30 0.00 -1.57 0.00 0.00 52.86 50.49 1m3i s ASN 355 Cb 0.19 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.25 41.11 1m3i s ASN 355 CO 0.19 0.08 1.43 -2.16 -2.57 0.00 0.00 177.10 174.06 1m3i s PRO 356 N -2.55 4.27 -0.16 -0.60 0.04 -1.26 -4.93 135.00 129.81 1m3i s PRO 356 Ca 0.17 2.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 1m3i s PRO 356 Cb -0.08 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.36 1m3i s PRO 356 CO 0.08 -0.40 -0.14 0.00 0.04 0.00 0.00 177.00 176.58 1m3i s ALA 357 N -0.20 2.56 0.09 8.56 0.00 -1.26 -5.03 121.76 126.48 1m3i s ALA 357 Ca 0.58 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1m3i s ALA 357 Cb -0.42 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1m3i s ALA 357 CO 0.46 -0.03 0.11 0.71 0.00 0.00 0.00 175.76 177.00 1m3i s TYR 358 N 0.81 3.22 0.07 0.00 1.51 -1.26 -4.84 117.35 116.86 1m3i s TYR 358 Ca -0.05 0.08 -0.34 0.00 -1.01 0.00 0.00 57.07 55.75 1m3i s TYR 358 Cb -0.15 -1.62 -0.13 0.00 -0.11 0.00 0.00 41.96 39.95 1m3i s TYR 358 CO 0.00 0.53 1.68 -0.35 -1.11 0.00 0.00 175.55 176.30 1m3i n PRO 359 N 0.27 2.14 -0.11 -1.71 -0.04 -1.26 -1.83 135.00 132.47 1m3i n PRO 359 Ca -0.08 0.78 -0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1m3i n PRO 359 Cb 0.52 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.29 1m3i n PRO 359 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1m3i n ILE 360 N 4.01 1.29 -3.84 0.52 2.08 0.24 -4.39 119.36 119.27 1m3i n ILE 360 Ca 0.19 -0.58 -0.04 0.00 0.56 0.00 0.00 62.75 62.89 1m3i n ILE 360 Cb 0.29 -1.09 0.01 0.00 -0.75 0.00 0.00 39.64 38.09 1m3i n ILE 360 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1m3i s SER 361 N -5.95 -0.04 -0.03 4.38 1.04 -1.19 -1.69 113.70 110.22 1m3i s SER 361 Ca -0.25 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 1m3i s SER 361 Cb 0.07 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.81 1m3i s SER 361 CO 0.59 -1.03 0.81 -0.72 0.98 0.00 0.00 173.24 173.87 1m3i s TYR 362 N -2.46 -0.47 -0.09 5.02 -0.85 0.02 -1.03 117.35 117.49 1m3i s TYR 362 Ca 0.19 0.60 0.03 0.00 -0.52 0.00 0.00 57.07 57.37 1m3i s TYR 362 Cb -0.02 0.48 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 1m3i s TYR 362 CO 0.05 -0.56 -0.18 0.95 -1.52 0.00 0.00 175.55 174.29 1m3i s THR 363 N -2.16 2.68 0.48 -3.49 -4.23 -0.77 -0.39 115.64 107.77 1m3i s THR 363 Ca -0.02 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1m3i s THR 363 Cb -0.01 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1m3i s THR 363 CO -0.02 0.56 0.49 -0.44 -0.54 0.00 0.00 174.62 174.68 1m3i s SER 364 N -0.08 5.02 -0.07 3.99 0.01 -1.26 -0.38 113.70 120.93 1m3i s SER 364 Ca -0.04 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.32 1m3i s SER 364 Cb -0.14 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 65.97 1m3i s SER 364 CO 0.04 -0.93 0.17 -0.69 0.41 0.00 0.00 173.24 172.24 1m3i s VAL 365 N -2.58 -0.03 0.22 3.43 1.01 0.00 -1.33 120.40 121.12 1m3i s VAL 365 Ca 0.48 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1m3i s VAL 365 Cb -0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.99 1m3i s VAL 365 CO 0.29 0.04 1.40 -0.36 0.00 0.00 0.00 175.10 176.47 1m3i s PHE 366 N 0.71 3.12 0.13 5.22 0.40 0.43 0.10 117.98 128.09 1m3i s PHE 366 Ca -0.05 1.06 -0.19 0.00 -0.60 0.00 0.00 56.93 57.15 1m3i s PHE 366 Cb -0.07 -3.74 -0.05 0.00 0.51 0.00 0.00 43.02 39.67 1m3i s PHE 366 CO -0.04 -2.42 1.76 -0.07 0.70 0.00 0.00 175.22 175.16 1m3i h LEU 367 N 5.40 0.15 -0.06 -0.37 3.38 -1.46 0.57 115.31 122.92 1m3i h LEU 367 Ca -0.45 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1m3i h LEU 367 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1m3i h LEU 367 CO 0.79 0.12 -0.07 0.50 0.09 0.00 0.00 178.44 179.87 1m3i h LYS 368 N 0.22 -0.04 -0.28 1.13 3.64 -1.90 -3.23 116.57 116.11 1m3i h LYS 368 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1m3i h LYS 368 Cb 0.02 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1m3i h LYS 368 CO -0.06 -0.03 0.00 -0.40 -2.27 0.00 0.00 179.45 176.70 1m3i n ASP 369 N -3.07 2.97 -1.98 4.20 5.75 -1.25 -4.94 116.55 118.23 1m3i n ASP 369 Ca -0.00 -1.87 -0.20 0.00 -0.01 0.00 0.00 54.79 52.71 1m3i n ASP 369 Cb 0.04 -0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 39.91 1m3i n ASP 369 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1m3i n ASN 370 N 1.06 -5.66 -4.85 -1.12 5.03 0.19 -4.96 115.26 104.95 1m3i n ASN 370 Ca 0.14 0.23 -0.33 0.00 0.87 0.00 0.00 54.58 55.49 1m3i n ASN 370 Cb 0.49 -4.81 -0.06 0.00 -1.02 0.00 0.00 39.78 34.38 1m3i n ASN 370 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1m3i s SER 371 N -2.41 6.80 0.22 6.41 1.04 -1.24 -4.75 113.70 119.76 1m3i s SER 371 Ca 0.00 1.21 -0.30 0.00 0.48 0.00 0.00 55.95 57.34 1m3i s SER 371 Cb 0.00 -2.34 -0.09 0.00 0.10 0.00 0.00 66.02 63.69 1m3i s SER 371 CO 0.00 -0.11 1.31 -0.69 0.98 0.00 0.00 173.24 174.73 1m3i s VAL 372 N -1.82 3.12 0.57 5.02 1.01 -1.26 -0.43 120.40 126.62 1m3i s VAL 372 Ca 0.49 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 1m3i s VAL 372 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1m3i s VAL 372 CO 0.19 0.15 0.96 0.00 0.00 0.00 0.00 175.10 176.41 1m3i s ALA 373 N -0.07 3.17 -0.28 5.51 0.00 -0.44 -4.84 121.76 124.81 1m3i s ALA 373 Ca 0.56 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 1m3i s ALA 373 Cb -0.37 -2.96 0.15 0.00 0.00 0.00 0.00 23.12 19.94 1m3i s ALA 373 CO 0.40 -0.56 0.57 0.00 0.00 0.00 0.00 175.76 176.17 1m3i s ALA 374 N -3.02 -1.93 0.01 0.00 0.00 -1.26 -4.42 121.76 111.15 1m3i s ALA 374 Ca 0.53 1.88 -0.30 0.00 0.00 0.00 0.00 51.96 54.07 1m3i s ALA 374 Cb -0.11 -1.88 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 1m3i s ALA 374 CO 0.50 -1.12 1.57 0.08 0.00 0.00 0.00 175.76 176.79 1m3i s VAL 375 N 2.81 3.41 -0.31 0.00 1.01 -0.98 -4.77 120.40 121.58 1m3i s VAL 375 Ca 0.08 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 62.67 1m3i s VAL 375 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1m3i s VAL 375 CO -0.19 -0.02 0.30 -1.00 0.00 0.00 0.00 175.10 174.19 1m3i s HIS 376 N 2.99 3.22 -0.05 5.22 3.76 0.16 -3.13 115.29 127.47 1m3i s HIS 376 Ca 0.70 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.76 1m3i s HIS 376 Cb -0.35 -2.54 -0.02 0.00 1.11 0.00 0.00 32.58 30.78 1m3i s HIS 376 CO 0.29 -0.30 -0.21 1.21 -0.85 0.00 0.00 174.74 174.88 1m3i s ASN 377 N 1.72 3.43 -0.07 1.40 3.84 0.97 -0.73 114.94 125.49 1m3i s ASN 377 Ca 0.10 -0.39 -0.02 0.00 0.21 0.00 0.00 52.86 52.77 1m3i s ASN 377 Cb -0.16 -0.73 0.03 0.00 -0.55 0.00 0.00 41.25 39.84 1m3i s ASN 377 CO 0.11 0.30 0.02 -0.75 -2.79 0.00 0.00 177.10 173.99 1m3i s LYS 378 N -0.46 0.40 -0.02 0.43 2.20 -1.13 0.44 119.74 121.60 1m3i s LYS 378 Ca 0.05 0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.78 1m3i s LYS 378 Cb -0.12 -0.88 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 1m3i s LYS 378 CO 0.01 -0.32 0.11 -0.08 -0.36 0.00 0.00 175.35 174.71 1m3i s THR 379 N 2.03 0.05 -0.14 3.43 -1.32 0.81 -1.82 115.64 118.68 1m3i s THR 379 Ca 0.05 -0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 60.10 1m3i s THR 379 Cb -0.12 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 1m3i s THR 379 CO -0.05 -0.21 0.01 -1.81 -2.21 0.00 0.00 174.62 170.35 1m3i s ASP 380 N -0.70 5.26 0.05 8.08 1.11 -1.25 0.37 116.67 129.58 1m3i s ASP 380 Ca -0.08 0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.71 1m3i s ASP 380 Cb -0.05 -1.73 -0.03 0.00 1.07 0.00 0.00 42.92 42.18 1m3i s ASP 380 CO 0.01 0.26 -0.05 -0.72 1.18 0.00 0.00 175.17 175.85 1m3i s TYR 381 N -0.15 0.53 -0.50 4.23 -0.85 -0.27 -4.76 117.35 115.59 1m3i s TYR 381 Ca 0.05 -0.76 -0.21 0.00 -0.52 0.00 0.00 57.07 55.63 1m3i s TYR 381 Cb -0.12 -0.35 0.04 0.00 0.38 0.00 0.00 41.96 41.91 1m3i s TYR 381 CO 0.02 -0.22 0.74 0.42 -1.52 0.00 0.00 175.55 174.99 1m3i s ILE 382 N -2.58 4.70 -0.38 -3.49 1.01 -1.26 -1.82 121.20 117.37 1m3i s ILE 382 Ca -0.03 -0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 1m3i s ILE 382 Cb -0.02 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 1m3i s ILE 382 CO -0.04 -0.84 1.79 -0.70 0.00 0.00 0.00 174.94 175.14 1m3i s GLU 383 N 3.12 3.23 -0.24 2.79 2.12 0.25 -4.85 118.70 125.12 1m3i s GLU 383 Ca 0.23 1.27 -0.14 0.00 0.36 0.00 0.00 54.97 56.68 1m3i s GLU 383 Cb -0.15 -4.22 -0.04 0.00 0.26 0.00 0.00 34.13 29.97 1m3i s GLU 383 CO 0.17 -1.99 0.31 0.99 -0.54 0.00 0.00 175.26 174.20 1m3i s THR 384 N 7.19 5.24 -0.18 -1.70 2.01 -1.26 -0.43 115.64 126.52 1m3i s THR 384 Ca 0.77 0.49 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1m3i s THR 384 Cb -0.20 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1m3i s THR 384 CO 0.31 0.25 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.44 1m3i s THR 385 N 1.50 1.91 0.35 -0.82 2.01 -0.08 -4.99 115.64 115.52 1m3i s THR 385 Ca 0.14 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.26 1m3i s THR 385 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1m3i s THR 385 CO 0.08 0.41 0.18 -0.94 -0.69 0.00 0.00 174.62 173.66 1m3i s SER 386 N 1.33 4.76 -0.17 3.53 1.04 -1.26 -0.02 113.70 122.91 1m3i s SER 386 Ca 0.03 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.63 1m3i s SER 386 Cb -0.14 -0.73 0.08 0.00 0.10 0.00 0.00 66.02 65.32 1m3i s SER 386 CO -0.11 -0.34 0.36 0.42 0.98 0.00 0.00 173.24 174.55 1m3i s THR 387 N -2.42 -0.46 -0.10 2.02 -4.23 0.73 -4.18 115.64 106.99 1m3i s THR 387 Ca 0.39 0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1m3i s THR 387 Cb -0.02 -0.58 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1m3i s THR 387 CO 0.23 0.08 -0.06 -1.83 -0.54 0.00 0.00 174.62 172.50 1m3i s GLU 388 N 2.31 3.09 0.07 3.99 -1.05 -1.24 -0.37 118.70 125.51 1m3i s GLU 388 Ca -0.02 -0.54 0.10 0.00 -0.15 0.00 0.00 54.97 54.35 1m3i s GLU 388 Cb -0.11 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 30.84 1m3i s GLU 388 CO -0.11 0.50 -0.26 0.71 0.95 0.00 0.00 175.26 177.05 1m3i s TYR 389 N -0.37 2.29 -0.04 4.83 1.51 -0.09 -4.89 117.35 120.59 1m3i s TYR 389 Ca 0.06 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1m3i s TYR 389 Cb -0.12 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1m3i s TYR 389 CO 0.02 0.18 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.39 1m3i s SER 390 N -1.46 4.10 1.03 2.29 0.01 -1.26 -1.00 113.70 117.40 1m3i s SER 390 Ca 0.12 -0.20 -0.14 0.00 1.31 0.00 0.00 55.95 57.04 1m3i s SER 390 Cb -0.10 -0.87 0.12 0.00 0.21 0.00 0.00 66.02 65.38 1m3i s SER 390 CO 0.03 0.33 0.52 0.29 0.41 0.00 0.00 173.24 174.82 1m3i n LYS 391 N 2.17 -1.03 -2.16 12.44 5.02 -1.25 -4.70 118.16 128.64 1m3i n LYS 391 Ca -0.17 -0.26 -0.04 0.00 -2.02 0.00 0.00 58.31 55.82 1m3i n LYS 391 Cb 0.52 -1.95 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 1m3i n LYS 391 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m3i n GLY 392 N 1.35 1.81 3.30 0.72 0.00 -1.15 -4.36 105.19 106.86 1m3i n GLY 392 Ca 0.05 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1m3i n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m3i s LYS 393 N -2.09 0.91 -0.24 1.61 0.00 -0.92 0.00 119.74 119.00 1m3i s LYS 393 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 55.97 55.49 1m3i s LYS 393 Cb -0.02 0.40 -0.05 0.00 0.00 0.00 0.00 37.83 38.16 1m3i s LYS 393 CO 0.05 -0.31 0.16 0.42 0.00 0.00 0.00 175.35 175.68 1m3i s ILE 394 N -2.65 5.35 -0.42 3.79 1.01 0.10 -0.68 121.20 127.71 1m3i s ILE 394 Ca -0.04 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1m3i s ILE 394 Cb -0.00 -3.50 0.09 0.00 0.01 0.00 0.00 42.46 39.05 1m3i s ILE 394 CO -0.04 0.34 0.24 0.20 0.00 0.00 0.00 174.94 175.68 1m3i s ASN 395 N 1.12 5.48 -0.02 3.58 0.02 0.61 -0.17 114.94 125.56 1m3i s ASN 395 Ca 0.08 -1.72 -0.17 0.00 -1.02 0.00 0.00 52.86 50.03 1m3i s ASN 395 Cb -0.14 -1.92 -0.05 0.00 0.02 0.00 0.00 41.25 39.16 1m3i s ASN 395 CO 0.05 -0.55 0.47 -0.76 0.02 0.00 0.00 177.10 176.33 1m3i s LEU 396 N 1.31 4.43 -0.19 0.60 1.43 -0.91 -0.57 118.68 124.79 1m3i s LEU 396 Ca 0.04 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1m3i s LEU 396 Cb -0.23 -2.69 0.07 0.00 0.03 0.00 0.00 46.19 43.36 1m3i s LEU 396 CO -0.01 0.22 0.11 -0.62 0.23 0.00 0.00 176.35 176.28 1m3i s ASP 397 N -0.58 2.40 -0.27 2.29 -1.08 -0.56 -2.75 116.67 116.13 1m3i s ASP 397 Ca 0.26 -0.67 -0.09 0.00 -0.52 0.00 0.00 52.55 51.53 1m3i s ASP 397 Cb -0.17 -0.19 -0.03 0.00 -1.46 0.00 0.00 42.92 41.07 1m3i s ASP 397 CO 0.14 -0.36 0.12 -2.28 0.52 0.00 0.00 175.17 173.31 1m3i s HIS 398 N 2.15 3.14 -0.03 -5.34 5.65 -0.32 -1.38 115.29 119.16 1m3i s HIS 398 Ca 0.04 -0.28 0.06 0.00 0.25 0.00 0.00 55.06 55.13 1m3i s HIS 398 Cb -0.16 -2.30 0.10 0.00 -1.18 0.00 0.00 32.58 29.04 1m3i s HIS 398 CO -0.13 -0.31 1.05 -1.13 -0.65 0.00 0.00 174.74 173.56 1m3i n SER 399 N 4.97 0.60 -4.84 9.88 3.41 -1.05 -1.06 113.62 125.52 1m3i n SER 399 Ca -0.15 -2.27 -0.34 0.00 -0.26 0.00 0.00 58.87 55.85 1m3i n SER 399 Cb 0.51 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1m3i n SER 399 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1m3i s GLY 400 N -1.51 2.41 -0.17 5.00 0.00 -1.26 -4.48 107.32 107.32 1m3i s GLY 400 Ca 0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.76 1m3i s GLY 400 CO -0.01 0.24 3.19 0.00 0.00 0.00 0.00 173.10 176.52 1m3i n ALA 401 N 0.10 5.85 -3.66 3.20 0.00 -0.24 -4.38 120.51 121.38 1m3i n ALA 401 Ca 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 53.44 51.58 1m3i n ALA 401 Cb 0.52 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 1m3i n ALA 401 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1m3i s TYR 402 N 1.39 0.08 -0.15 0.00 -0.85 -1.26 -4.52 117.35 112.05 1m3i s TYR 402 Ca 0.59 -0.58 -0.12 0.00 -0.52 0.00 0.00 57.07 56.44 1m3i s TYR 402 Cb 0.27 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 43.17 1m3i s TYR 402 CO -0.01 -1.30 0.26 0.08 -1.52 0.00 0.00 175.55 173.07 1m3i s VAL 403 N -3.37 5.32 0.12 -3.49 1.01 -1.26 -4.58 120.40 114.14 1m3i s VAL 403 Ca 0.16 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1m3i s VAL 403 Cb -0.04 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1m3i s VAL 403 CO 0.10 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.54 1m3i s ALA 404 N 0.11 1.29 -0.04 5.51 0.00 -0.91 -0.61 121.76 127.12 1m3i s ALA 404 Ca 0.16 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1m3i s ALA 404 Cb -0.13 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1m3i s ALA 404 CO 0.04 -0.06 -0.13 -0.65 0.00 0.00 0.00 175.76 174.96 1m3i s GLN 405 N -3.26 1.41 0.18 0.00 -0.21 -0.77 -0.88 119.66 116.14 1m3i s GLN 405 Ca 0.11 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 55.07 1m3i s GLN 405 Cb -0.00 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.73 1m3i s GLN 405 CO 0.00 0.16 0.33 -0.06 -2.12 0.00 0.00 175.29 173.60 1m3i s PHE 406 N 0.18 3.48 -0.30 0.91 0.40 -1.26 -1.81 117.98 119.58 1m3i s PHE 406 Ca -0.05 0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1m3i s PHE 406 Cb -0.11 -1.67 0.11 0.00 0.51 0.00 0.00 43.02 41.85 1m3i s PHE 406 CO 0.02 0.47 0.14 -2.00 0.70 0.00 0.00 175.22 174.54 1m3i s GLU 407 N -3.47 0.28 -0.15 0.44 2.12 0.25 -0.78 118.70 117.39 1m3i s GLU 407 Ca 0.35 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.02 1m3i s GLU 407 Cb -0.10 -1.25 0.01 0.00 0.26 0.00 0.00 34.13 33.04 1m3i s GLU 407 CO 0.29 -1.04 -0.19 0.08 -0.54 0.00 0.00 175.26 173.86 1m3i s VAL 408 N 1.92 2.33 0.08 3.70 1.01 -1.26 -0.25 120.40 127.93 1m3i s VAL 408 Ca 0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 1m3i s VAL 408 Cb -0.17 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1m3i s VAL 408 CO -0.31 0.53 0.23 0.00 0.00 0.00 0.00 175.10 175.55 1m3i s ALA 409 N 0.84 -0.39 0.32 5.51 0.00 -0.68 -1.52 121.76 125.83 1m3i s ALA 409 Ca -0.06 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1m3i s ALA 409 Cb -0.15 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.47 1m3i s ALA 409 CO -0.01 -0.48 0.85 1.67 0.00 0.00 0.00 175.76 177.79 1m3i s TRP 410 N -3.40 0.08 0.19 0.00 -2.14 -0.78 -0.04 118.94 112.85 1m3i s TRP 410 Ca 0.01 -0.66 0.11 0.00 2.66 0.00 0.00 56.10 58.22 1m3i s TRP 410 Cb 0.03 0.79 -0.04 0.00 -3.10 0.00 0.00 33.47 31.14 1m3i s TRP 410 CO -0.09 -1.37 -0.24 -0.51 -2.66 0.00 0.00 176.95 172.08 1m3i s ASP 411 N -3.14 3.42 -0.29 -2.66 -0.00 0.12 -1.07 116.67 113.05 1m3i s ASP 411 Ca 0.17 -0.86 -0.01 0.00 -0.00 0.00 0.00 52.55 51.85 1m3i s ASP 411 Cb -0.04 -0.25 0.05 0.00 -0.00 0.00 0.00 42.92 42.68 1m3i s ASP 411 CO 0.09 0.13 -0.02 -1.61 -0.00 0.00 0.00 175.17 173.76 1m3i s GLU 412 N -2.61 2.39 0.35 8.23 2.02 0.62 -0.03 118.70 129.67 1m3i s GLU 412 Ca 0.20 -1.29 -0.27 0.00 0.02 0.00 0.00 54.97 53.63 1m3i s GLU 412 Cb -0.08 -3.13 -0.09 0.00 0.10 0.00 0.00 34.13 30.93 1m3i s GLU 412 CO 0.09 -0.61 1.16 0.54 0.02 0.00 0.00 175.26 176.46 1m3i s VAL 413 N 1.22 3.24 0.12 2.63 0.11 -0.70 -1.41 120.40 125.61 1m3i s VAL 413 Ca -0.06 1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 60.06 1m3i s VAL 413 Cb -0.20 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1m3i s VAL 413 CO -0.02 0.18 0.17 -0.44 -3.33 0.00 0.00 175.10 171.67 1m3i s SER 414 N -0.98 0.17 -0.05 3.54 0.01 -0.47 -4.95 113.70 110.97 1m3i s SER 414 Ca 0.52 -0.87 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 1m3i s SER 414 Cb -0.32 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1m3i s SER 414 CO 0.41 -0.77 0.03 -0.31 0.41 0.00 0.00 173.24 173.01 1m3i s TYR 415 N -3.94 0.30 0.00 2.43 1.51 -1.26 0.08 117.35 116.47 1m3i s TYR 415 Ca 0.13 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1m3i s TYR 415 Cb 0.05 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 1m3i s TYR 415 CO -0.05 -0.23 0.00 -0.40 -1.11 0.00 0.00 175.55 173.76 1m3i n ASP 416 N 5.13 -0.21 0.15 2.29 5.68 -1.04 -4.79 116.55 123.76 1m3i n ASP 416 Ca -0.07 -0.06 0.02 0.00 -0.50 0.00 0.00 54.79 54.18 1m3i n ASP 416 Cb 0.50 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.62 1m3i n ASP 416 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1m3i h LYS 417 N 0.00 0.00 -0.01 0.11 1.57 -1.92 -3.01 116.57 113.30 1m3i h LYS 417 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1m3i h LYS 417 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1m3i h LYS 417 CO 0.00 0.55 -0.05 0.39 -0.57 0.00 0.00 179.45 179.77 1m3i n GLU 418 N -3.42 1.30 -2.40 3.15 -0.58 -1.26 -4.77 120.64 112.65 1m3i n GLU 418 Ca 0.00 -0.62 -0.06 0.00 -0.42 0.00 0.00 57.16 56.07 1m3i n GLU 418 Cb 0.67 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.08 1m3i n GLU 418 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m3i n GLY 419 N 1.18 0.16 3.36 0.62 0.00 -1.14 -4.61 105.19 104.75 1m3i n GLY 419 Ca 0.18 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1m3i n GLY 419 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m3i s ASN 420 N -3.39 3.12 0.34 1.61 0.01 -1.26 -4.58 114.94 110.79 1m3i s ASN 420 Ca 0.05 -0.69 -0.29 0.00 -0.71 0.00 0.00 52.86 51.22 1m3i s ASN 420 Cb -0.01 -0.22 -0.10 0.00 0.41 0.00 0.00 41.25 41.33 1m3i s ASN 420 CO 0.26 0.18 1.31 -0.70 -1.51 0.00 0.00 177.10 176.64 1m3i s GLU 421 N -1.80 4.33 -0.30 -0.60 2.12 -1.26 -2.50 118.70 118.69 1m3i s GLU 421 Ca 0.12 2.22 -0.03 0.00 0.36 0.00 0.00 54.97 57.64 1m3i s GLU 421 Cb -0.10 -3.05 0.10 0.00 0.26 0.00 0.00 34.13 31.35 1m3i s GLU 421 CO 0.05 -0.21 0.13 0.08 -0.54 0.00 0.00 175.26 174.77 1m3i s VAL 422 N -1.15 0.12 -0.23 3.70 1.01 0.11 -4.92 120.40 119.04 1m3i s VAL 422 Ca 0.49 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1m3i s VAL 422 Cb -0.40 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1m3i s VAL 422 CO 0.53 -0.75 0.82 -0.76 0.00 0.00 0.00 175.10 174.94 1m3i s LEU 423 N 1.90 4.09 -0.36 3.92 1.43 -1.26 -1.37 118.68 127.03 1m3i s LEU 423 Ca 0.10 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.14 1m3i s LEU 423 Cb -0.17 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1m3i s LEU 423 CO -0.31 -0.49 0.17 -0.89 0.23 0.00 0.00 176.35 175.06 1m3i s THR 424 N 2.73 4.28 0.31 5.49 2.01 -0.50 -4.89 115.64 125.09 1m3i s THR 424 Ca 0.35 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1m3i s THR 424 Cb -0.15 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 1m3i s THR 424 CO 0.08 -0.23 1.19 -2.28 -0.69 0.00 0.00 174.62 172.69 1m3i s HIS 425 N 1.50 3.31 0.06 4.92 2.46 -1.26 -0.27 115.29 126.00 1m3i s HIS 425 Ca 0.01 1.57 0.03 0.00 0.47 0.00 0.00 55.06 57.13 1m3i s HIS 425 Cb -0.19 -3.46 -0.03 0.00 -0.13 0.00 0.00 32.58 28.77 1m3i s HIS 425 CO 0.05 -1.17 -0.10 0.15 -2.47 0.00 0.00 174.74 171.20 1m3i s LYS 426 N -1.67 0.64 0.15 2.88 -0.14 -0.23 -4.92 119.74 116.44 1m3i s LYS 426 Ca 0.47 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 54.24 1m3i s LYS 426 Cb -0.35 -0.46 -0.04 0.00 -1.68 0.00 0.00 37.83 35.30 1m3i s LYS 426 CO 0.46 0.09 -0.01 0.95 -0.76 0.00 0.00 175.35 176.08 1m3i s THR 427 N -1.49 0.62 -0.00 2.17 -4.23 -1.26 -1.86 115.64 109.60 1m3i s THR 427 Ca -0.06 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 1m3i s THR 427 Cb -0.09 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 1m3i s THR 427 CO 0.01 -0.58 0.33 0.86 -0.54 0.00 0.00 174.62 174.69 1m3i s TRP 428 N -3.69 3.64 0.08 3.99 -0.00 -0.58 -4.99 118.94 117.40 1m3i s TRP 428 Ca 0.21 0.77 -0.28 0.00 -0.00 0.00 0.00 56.10 56.80 1m3i s TRP 428 Cb 0.06 -2.13 -0.17 0.00 -0.00 0.00 0.00 33.47 31.23 1m3i s TRP 428 CO 0.01 0.63 1.69 -0.44 -0.00 0.00 0.00 176.95 178.83 1m3i h ASP 429 N 4.37 -0.36 0.00 5.86 5.19 -2.00 -2.62 116.42 126.86 1m3i h ASP 429 Ca -0.51 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1m3i h ASP 429 Cb 1.21 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1m3i h ASP 429 CO 0.63 -0.26 0.00 0.61 -3.12 0.00 0.00 179.24 177.10 1m3i n GLY 430 N -1.27 -0.07 3.75 2.75 0.00 -1.26 -4.75 105.19 104.35 1m3i n GLY 430 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1m3i n GLY 430 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m3i s ASN 431 N -1.91 7.21 -1.72 1.61 -0.87 -0.99 -3.37 114.94 114.90 1m3i s ASN 431 Ca 0.00 2.28 0.00 0.00 -1.57 0.00 0.00 52.86 53.57 1m3i s ASN 431 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1m3i s ASN 431 CO 0.00 -0.20 0.00 -1.22 -2.57 0.00 0.00 177.10 173.11 1m3i n TYR 432 N 1.45 -0.44 -5.06 2.20 0.53 0.04 -4.93 117.16 110.95 1m3i n TYR 432 Ca -0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.56 1m3i n TYR 432 Cb 0.45 -3.32 -0.16 0.00 -1.03 0.00 0.00 39.34 35.28 1m3i n TYR 432 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1m3i s GLN 433 N -4.23 2.94 0.64 -0.72 -0.21 -1.22 -4.98 119.66 111.88 1m3i s GLN 433 Ca 0.00 -0.81 -0.18 0.00 0.02 0.00 0.00 55.36 54.40 1m3i s GLN 433 Cb 0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 1m3i s GLN 433 CO 0.00 0.30 1.05 -0.25 -2.12 0.00 0.00 175.29 174.27 1m3i n ASP 434 N 3.21 1.04 -3.79 5.90 8.00 -1.26 -4.33 116.55 125.32 1m3i n ASP 434 Ca -0.18 0.78 -0.13 0.00 0.71 0.00 0.00 54.79 55.97 1m3i n ASP 434 Cb 0.52 -1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.07 1m3i n ASP 434 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1m3i s LYS 435 N -3.04 0.30 0.25 -1.24 -0.14 -0.06 -4.94 119.74 110.88 1m3i s LYS 435 Ca 0.78 0.30 0.01 0.00 -1.36 0.00 0.00 55.97 55.70 1m3i s LYS 435 Cb -0.39 0.14 -0.00 0.00 -1.68 0.00 0.00 37.83 35.90 1m3i s LYS 435 CO 0.45 -0.04 0.04 0.25 -0.76 0.00 0.00 175.35 175.29 1m3i n THR 436 N 2.86 0.00 -0.15 2.17 -2.24 -1.26 -2.13 114.28 113.53 1m3i n THR 436 Ca -0.13 -1.30 -0.07 0.00 -2.27 0.00 0.00 64.05 60.28 1m3i n THR 436 Cb 0.58 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1m3i n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m3i n ALA 437 N -2.04 0.03 -3.02 6.98 0.00 -1.26 -2.91 120.51 118.29 1m3i n ALA 437 Ca -0.10 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1m3i n ALA 437 Cb 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.55 1m3i n ALA 437 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1m3i n HIS 438 N 0.92 -3.07 -4.78 0.00 -0.00 -0.22 -5.00 115.22 103.07 1m3i n HIS 438 Ca 0.07 1.28 -0.33 0.00 -0.00 0.00 0.00 57.72 58.74 1m3i n HIS 438 Cb -0.00 -3.22 -0.15 0.00 -0.00 0.00 0.00 29.99 26.61 1m3i n HIS 438 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1m3i s TYR 439 N -1.99 2.77 0.14 1.57 6.14 -0.33 -4.95 117.35 120.70 1m3i s TYR 439 Ca 0.21 -0.79 0.08 0.00 0.64 0.00 0.00 57.07 57.21 1m3i s TYR 439 Cb -0.04 -1.84 -0.04 0.00 0.42 0.00 0.00 41.96 40.46 1m3i s TYR 439 CO 0.72 -0.30 -0.18 -1.12 0.64 0.00 0.00 175.55 175.31 1m3i s SER 440 N 0.46 2.52 -0.17 4.32 0.01 -1.26 -1.17 113.70 118.41 1m3i s SER 440 Ca -0.11 -0.79 -0.31 0.00 1.31 0.00 0.00 55.95 56.05 1m3i s SER 440 Cb -0.16 -0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.07 1m3i s SER 440 CO 0.05 -0.02 1.10 0.28 0.41 0.00 0.00 173.24 175.05 1m3i s THR 441 N -1.77 0.00 -0.07 1.44 -1.32 -1.11 -5.02 115.64 107.79 1m3i s THR 441 Ca 0.11 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.64 1m3i s THR 441 Cb -0.07 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1m3i s THR 441 CO 0.05 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.54 1m3i s VAL 442 N -1.66 1.94 -0.38 5.08 1.01 -1.26 -2.13 120.40 123.01 1m3i s VAL 442 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1m3i s VAL 442 Cb -0.01 -1.67 0.11 0.00 0.00 0.00 0.00 36.38 34.81 1m3i s VAL 442 CO -0.03 0.54 0.13 -0.63 0.00 0.00 0.00 175.10 175.10 1m3i s ILE 443 N 0.10 2.75 0.58 2.22 1.01 0.76 -4.94 121.20 123.69 1m3i s ILE 443 Ca -0.10 -2.24 -0.19 0.00 0.00 0.00 0.00 60.65 58.12 1m3i s ILE 443 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1m3i s ILE 443 CO 0.06 -0.65 1.18 -2.84 0.00 0.00 0.00 174.94 172.69 1m3i s PRO 444 N 0.98 3.08 0.01 2.79 0.02 -1.26 0.03 135.00 140.65 1m3i s PRO 444 Ca 0.10 1.75 0.03 0.00 0.02 0.00 0.00 61.00 62.90 1m3i s PRO 444 Cb -0.21 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 1m3i s PRO 444 CO -0.06 -1.10 -0.11 -0.51 -0.33 0.00 0.00 177.00 174.89 1m3i s LEU 445 N -4.02 2.08 0.73 -5.54 1.43 0.10 -4.87 118.68 108.60 1m3i s LEU 445 Ca 0.76 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 1m3i s LEU 445 Cb -0.28 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1m3i s LEU 445 CO 0.31 0.07 1.07 -1.61 0.23 0.00 0.00 176.35 176.43 1m3i s GLU 446 N -0.60 2.61 0.50 1.70 0.41 -1.26 -2.94 118.70 119.11 1m3i s GLU 446 Ca 0.02 1.00 0.34 0.00 -0.41 0.00 0.00 54.97 55.92 1m3i s GLU 446 Cb -0.05 -1.95 1.64 0.00 -1.78 0.00 0.00 34.13 31.98 1m3i s GLU 446 CO 0.00 -1.35 2.01 0.00 -0.49 0.00 0.00 175.26 175.44 1m3i h ALA 447 N -0.90 1.00 -0.99 5.21 0.00 -1.88 -2.85 119.26 118.85 1m3i h ALA 447 Ca -0.44 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 1m3i h ALA 447 Cb 1.22 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 1m3i h ALA 447 CO 0.55 0.00 0.77 0.27 0.00 0.00 0.00 179.25 180.84 1m3i n ASN 448 N -2.79 7.47 -4.61 0.00 6.94 -1.26 -4.61 115.26 116.40 1m3i n ASN 448 Ca -0.01 -3.79 -0.39 0.00 -0.02 0.00 0.00 54.58 50.37 1m3i n ASN 448 Cb 0.16 -0.94 -0.09 0.00 -2.36 0.00 0.00 39.78 36.55 1m3i n ASN 448 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1m3i s ALA 449 N -3.85 3.56 0.29 -2.53 0.00 -1.08 -1.72 121.76 116.44 1m3i s ALA 449 Ca 0.62 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1m3i s ALA 449 Cb 0.49 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1m3i s ALA 449 CO -0.07 -0.59 -0.05 1.03 0.00 0.00 0.00 175.76 176.08 1m3i s ARG 450 N 1.90 1.59 -1.46 0.00 3.00 0.96 -4.67 118.95 120.27 1m3i s ARG 450 Ca 0.14 -1.81 -0.06 0.00 0.00 0.00 0.00 55.73 54.00 1m3i s ARG 450 Cb -0.16 -1.20 0.04 0.00 0.00 0.00 0.00 34.95 33.64 1m3i s ARG 450 CO 0.10 0.03 0.63 0.09 0.00 0.00 0.00 175.30 176.15 1m3i n ASN 451 N -0.61 -1.75 -4.67 0.23 5.03 -1.26 0.16 115.26 112.39 1m3i n ASN 451 Ca -0.05 -0.93 -0.43 0.00 0.87 0.00 0.00 54.58 54.04 1m3i n ASN 451 Cb 0.64 -3.35 -0.02 0.00 -1.02 0.00 0.00 39.78 36.02 1m3i n ASN 451 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1m3i s ILE 452 N -3.67 4.01 -0.11 2.41 1.01 -1.26 -4.21 121.20 119.38 1m3i s ILE 452 Ca 0.24 1.27 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1m3i s ILE 452 Cb -0.13 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1m3i s ILE 452 CO 0.87 -0.08 -0.22 0.00 0.00 0.00 0.00 174.94 175.51 1m3i s ARG 453 N 3.32 2.92 -0.19 2.79 1.70 0.95 0.73 118.95 131.16 1m3i s ARG 453 Ca 0.61 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 1m3i s ARG 453 Cb -0.26 -2.28 0.03 0.00 -0.57 0.00 0.00 34.95 31.86 1m3i s ARG 453 CO 0.21 0.08 -0.18 0.42 -1.08 0.00 0.00 175.30 174.75 1m3i s ILE 454 N 0.58 2.04 0.02 4.99 1.01 -0.89 -1.68 121.20 127.27 1m3i s ILE 454 Ca -0.13 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.52 1m3i s ILE 454 Cb -0.17 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1m3i s ILE 454 CO 0.04 0.43 -0.16 -0.75 0.00 0.00 0.00 174.94 174.49 1m3i s LYS 455 N 1.27 1.17 -0.03 2.79 2.20 0.66 -1.63 119.74 126.17 1m3i s LYS 455 Ca 0.02 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1m3i s LYS 455 Cb -0.14 -1.19 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1m3i s LYS 455 CO -0.11 0.31 0.03 0.00 -0.36 0.00 0.00 175.35 175.22 1m3i s ALA 456 N -0.65 0.21 0.08 3.13 0.00 -0.11 0.84 121.76 125.25 1m3i s ALA 456 Ca 0.05 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.33 1m3i s ALA 456 Cb -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1m3i s ALA 456 CO 0.01 -0.25 -0.27 1.03 0.00 0.00 0.00 175.76 176.28 1m3i s ARG 457 N 1.48 1.62 -0.12 0.00 3.00 -0.75 0.21 118.95 124.38 1m3i s ARG 457 Ca -0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 55.73 54.30 1m3i s ARG 457 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 34.95 32.84 1m3i s ARG 457 CO -0.03 0.48 0.48 -2.00 0.00 0.00 0.00 175.30 174.23 1m3i s GLU 458 N -1.60 4.33 -0.90 3.54 2.12 -0.90 -1.85 118.70 123.44 1m3i s GLU 458 Ca 0.13 0.44 -0.24 0.00 0.36 0.00 0.00 54.97 55.65 1m3i s GLU 458 Cb -0.10 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.87 1m3i s GLU 458 CO 0.04 0.14 1.52 0.00 -0.54 0.00 0.00 175.26 176.42 1m3i n THR 460 N 6.96 0.00 -0.27 0.00 -1.04 -1.26 -4.73 114.28 113.93 1m3i n THR 460 Ca 0.26 -1.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 1m3i n THR 460 Cb 0.50 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 1m3i n THR 460 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m3i n GLY 461 N 2.86 -2.12 0.08 3.41 0.00 -1.26 -4.80 105.19 103.36 1m3i n GLY 461 Ca 0.17 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 1m3i n GLY 461 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1m3i h LEU 462 N 0.00 -0.25 0.00 0.99 5.85 -2.01 -3.47 115.31 116.42 1m3i h LEU 462 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1m3i h LEU 462 Cb 0.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1m3i h LEU 462 CO 0.00 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 1m3i n ALA 463 N -2.52 0.00 0.33 1.25 0.00 -1.26 -5.04 120.51 113.27 1m3i n ALA 463 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1m3i n ALA 463 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1m3i n ALA 463 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1m3i h TRP 464 N 0.22 -0.79 0.00 0.00 2.91 -1.99 -2.95 115.95 113.35 1m3i h TRP 464 Ca 0.00 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1m3i h TRP 464 Cb 0.00 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1m3i h TRP 464 CO 0.00 -0.49 0.39 -1.91 -1.03 0.00 0.00 178.44 175.40 1m3i n GLU 465 N -4.54 0.00 -0.09 2.65 2.13 -1.26 -0.53 120.64 119.01 1m3i n GLU 465 Ca -0.11 0.15 0.04 0.00 0.66 0.00 0.00 57.16 57.90 1m3i n GLU 465 Cb 0.33 -1.89 0.08 0.00 0.27 0.00 0.00 31.44 30.23 1m3i n GLU 465 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1m3i n TRP 466 N -1.17 0.18 -2.72 4.31 8.01 -1.11 -5.02 117.44 119.90 1m3i n TRP 466 Ca -0.00 -0.63 -0.23 0.00 -1.31 0.00 0.00 57.50 55.33 1m3i n TRP 466 Cb 0.39 -0.09 0.11 0.00 -2.01 0.00 0.00 31.31 29.71 1m3i n TRP 466 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 1m3i s TRP 467 N -1.54 1.23 -0.07 -5.99 0.51 0.31 -4.75 118.94 108.65 1m3i s TRP 467 Ca 0.15 -0.48 -0.03 0.00 -2.12 0.00 0.00 56.10 53.62 1m3i s TRP 467 Cb 0.11 -2.78 -0.04 0.00 -0.81 0.00 0.00 33.47 29.95 1m3i s TRP 467 CO 0.05 -1.72 0.07 -0.98 -0.51 0.00 0.00 176.95 173.86 1m3i s ARG 468 N -5.07 3.16 -0.38 4.98 1.70 -1.26 -4.93 118.95 117.15 1m3i s ARG 468 Ca 0.67 -0.35 -0.28 0.00 -0.47 0.00 0.00 55.73 55.30 1m3i s ARG 468 Cb -0.04 -2.94 -0.02 0.00 -0.57 0.00 0.00 34.95 31.38 1m3i s ARG 468 CO 0.44 0.71 1.80 -0.51 -1.08 0.00 0.00 175.30 176.66 1m3i s ASP 469 N -1.23 5.79 0.35 -2.89 -0.00 -1.26 -2.12 116.67 115.31 1m3i s ASP 469 Ca 0.17 1.14 0.10 0.00 -0.00 0.00 0.00 52.55 53.96 1m3i s ASP 469 Cb -0.12 -2.53 0.64 0.00 -0.00 0.00 0.00 42.92 40.91 1m3i s ASP 469 CO 0.07 -1.81 1.80 0.58 -0.00 0.00 0.00 175.17 175.80 1m3i h VAL 470 N 6.82 1.27 -1.89 -1.27 2.07 0.22 -3.43 116.25 120.03 1m3i h VAL 470 Ca -0.32 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 65.93 1m3i h VAL 470 Cb 1.17 1.61 -0.22 0.00 -1.52 0.00 0.00 31.29 32.32 1m3i h VAL 470 CO 1.06 0.38 0.15 -0.51 0.02 0.00 0.00 177.57 178.67 1m3i s ILE 471 N -4.26 0.00 -0.15 4.57 2.07 -0.96 -4.39 121.20 118.07 1m3i s ILE 471 Ca -0.04 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.16 1m3i s ILE 471 Cb 0.14 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.79 1m3i s ILE 471 CO 0.74 0.00 0.07 -0.55 -1.91 0.00 0.00 174.94 173.30 1m3i s SER 472 N 1.06 2.18 -0.01 4.50 0.15 -1.26 -0.93 113.70 119.38 1m3i s SER 472 Ca -0.05 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1m3i s SER 472 Cb -0.05 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1m3i s SER 472 CO -0.11 -0.32 -0.18 -1.61 1.20 0.00 0.00 173.24 172.21 1m3i s GLU 473 N 2.10 1.50 0.14 5.44 0.41 -0.65 -5.04 118.70 122.60 1m3i s GLU 473 Ca 0.02 -0.66 0.09 0.00 -0.41 0.00 0.00 54.97 54.01 1m3i s GLU 473 Cb -0.15 -1.45 -0.04 0.00 -1.78 0.00 0.00 34.13 30.71 1m3i s GLU 473 CO -0.08 0.40 -0.21 0.71 -0.49 0.00 0.00 175.26 175.59 1m3i s TYR 474 N -0.43 1.95 -1.44 1.61 1.51 -1.26 -2.09 117.35 117.19 1m3i s TYR 474 Ca 0.07 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1m3i s TYR 474 Cb -0.07 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 1m3i s TYR 474 CO -0.01 0.31 0.31 -3.47 -1.11 0.00 0.00 175.55 171.58 1m3i n ASP 475 N 0.67 -0.01 -4.71 2.29 -0.08 -0.83 -4.86 116.55 109.01 1m3i n ASP 475 Ca -0.16 -1.08 -0.42 0.00 -1.51 0.00 0.00 54.79 51.62 1m3i n ASP 475 Cb 0.55 -2.65 -0.03 0.00 2.34 0.00 0.00 41.12 41.33 1m3i n ASP 475 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1m3i s VAL 476 N -4.07 2.89 -0.14 5.18 1.01 0.22 -4.76 120.40 120.73 1m3i s VAL 476 Ca 0.01 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1m3i s VAL 476 Cb -0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 1m3i s VAL 476 CO 0.92 0.04 1.97 -2.16 0.00 0.00 0.00 175.10 175.87 1m3i s PRO 477 N 1.40 3.63 -0.22 2.72 0.04 -1.26 -4.15 135.00 137.17 1m3i s PRO 477 Ca 0.69 2.11 -0.32 0.00 0.04 0.00 0.00 61.00 63.52 1m3i s PRO 477 Cb -0.41 -4.21 -0.09 0.00 0.04 0.00 0.00 34.50 29.83 1m3i s PRO 477 CO 0.31 -1.52 2.13 -0.11 0.04 0.00 0.00 177.00 177.85 1m3i n LEU 478 N 9.48 3.01 0.00 -3.56 7.94 -1.26 -4.92 117.00 127.69 1m3i n LEU 478 Ca 0.24 0.46 -0.18 0.00 -1.11 0.00 0.00 56.01 55.42 1m3i n LEU 478 Cb 0.44 -1.43 -0.05 0.00 0.53 0.00 0.00 43.42 42.92 1m3i n LEU 478 CO 0.66 -0.52 -0.13 0.35 -1.11 0.00 0.00 177.39 176.65 1m3i n THR 479 N 6.92 0.00 0.12 1.96 -2.24 -1.26 -4.97 114.28 114.81 1m3i n THR 479 Ca 0.31 -1.54 -0.02 0.00 -2.27 0.00 0.00 64.05 60.53 1m3i n THR 479 Cb 0.35 0.45 0.15 0.00 -2.10 0.00 0.00 70.33 69.18 1m3i n THR 479 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1m3i h ASN 480 N 0.94 0.06 -2.55 3.42 2.35 -1.57 -3.32 115.58 114.91 1m3i h ASN 480 Ca -0.23 -0.04 -0.32 0.00 -0.55 0.00 0.00 56.30 55.16 1m3i h ASN 480 Cb 0.80 -0.02 -0.36 0.00 0.05 0.00 0.00 38.32 38.80 1m3i h ASN 480 CO 0.38 0.67 -0.63 0.20 -1.65 0.00 0.00 177.43 176.41 1m3i s ASN 481 N -6.86 1.37 -0.59 5.81 0.01 -1.11 -2.17 114.94 111.40 1m3i s ASN 481 Ca -0.02 -0.21 -0.13 0.00 -0.71 0.00 0.00 52.86 51.79 1m3i s ASN 481 Cb 0.12 0.37 0.15 0.00 0.41 0.00 0.00 41.25 42.30 1m3i s ASN 481 CO 0.77 -0.32 0.52 -0.63 -1.51 0.00 0.00 177.10 175.92 1m3i s ILE 482 N 2.32 4.92 -0.77 0.60 1.01 0.14 -1.90 121.20 127.52 1m3i s ILE 482 Ca 0.07 -1.92 -0.21 0.00 0.00 0.00 0.00 60.65 58.59 1m3i s ILE 482 Cb -0.16 -4.15 0.09 0.00 0.01 0.00 0.00 42.46 38.26 1m3i s ILE 482 CO -0.12 -0.88 1.05 0.20 0.00 0.00 0.00 174.94 175.19 1m3i s ASN 483 N 2.79 6.34 -0.00 3.58 -0.87 -0.49 -0.28 114.94 126.00 1m3i s ASN 483 Ca 0.08 -1.35 -0.10 0.00 -1.57 0.00 0.00 52.86 49.92 1m3i s ASN 483 Cb -0.24 -2.42 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 1m3i s ASN 483 CO -0.01 -1.33 0.31 -0.69 -2.57 0.00 0.00 177.10 172.81 1m3i s VAL 484 N 3.68 5.22 -0.28 1.60 1.01 0.26 -0.84 120.40 131.05 1m3i s VAL 484 Ca 0.27 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1m3i s VAL 484 Cb -0.12 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1m3i s VAL 484 CO 0.03 0.46 0.78 -0.94 0.00 0.00 0.00 175.10 175.43 1m3i s SER 485 N -1.42 -0.80 0.34 3.32 1.04 -0.36 -1.49 113.70 114.33 1m3i s SER 485 Ca 0.25 1.29 0.08 0.00 0.48 0.00 0.00 55.95 58.06 1m3i s SER 485 Cb -0.14 1.33 -0.04 0.00 0.10 0.00 0.00 66.02 67.26 1m3i s SER 485 CO 0.13 -0.21 0.13 0.27 0.98 0.00 0.00 173.24 174.55 1m3i s ILE 486 N 1.45 3.01 0.00 -1.02 -4.36 -0.48 -0.51 121.20 119.29 1m3i s ILE 486 Ca -0.09 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1m3i s ILE 486 Cb -0.05 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.70 1m3i s ILE 486 CO -0.17 -0.19 0.00 -2.67 0.24 0.00 0.00 174.94 172.15 1m3i n TRP 487 N -1.13 -0.13 -3.90 1.37 2.14 0.54 -2.54 117.44 113.79 1m3i n TRP 487 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1m3i n TRP 487 Cb 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.11 1m3i n TRP 487 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1m3i n GLY 488 N 0.00 -1.52 3.86 -1.67 0.00 -1.26 -0.46 105.19 104.14 1m3i n GLY 488 Ca 0.00 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 1m3i n GLY 488 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m3i s THR 489 N 0.00 2.40 0.27 2.61 -4.23 -1.10 -1.08 115.64 114.52 1m3i s THR 489 Ca 0.00 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1m3i s THR 489 Cb 0.00 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.29 1m3i s THR 489 CO 0.00 0.00 1.95 0.74 -0.54 0.00 0.00 174.62 176.77 1m3i h THR 490 N 1.01 1.24 0.16 3.99 2.02 -1.93 0.40 112.91 119.80 1m3i h THR 490 Ca -0.40 -0.43 -0.30 0.00 0.77 0.00 0.00 66.41 66.05 1m3i h THR 490 Cb 1.27 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1m3i h THR 490 CO 0.59 0.23 -1.40 -0.07 0.37 0.00 0.00 175.52 175.24 1m3i h LEU 491 N 1.25 0.54 -5.64 2.58 3.38 -1.98 -3.38 115.31 112.06 1m3i h LEU 491 Ca 0.34 -0.62 -0.59 0.00 0.09 0.00 0.00 57.88 57.11 1m3i h LEU 491 Cb -0.14 -0.17 -0.42 0.00 0.09 0.00 0.00 40.66 40.02 1m3i h LEU 491 CO -0.07 1.49 -0.66 -1.22 0.09 0.00 0.00 178.44 178.07 1m3i n TYR 492 N -3.57 3.67 -0.66 1.13 4.02 -1.07 -5.10 117.16 115.58 1m3i n TYR 492 Ca -0.13 -4.04 -0.30 0.00 -0.01 0.00 0.00 57.90 53.42 1m3i n TYR 492 Cb 1.05 -0.51 0.20 0.00 -0.02 0.00 0.00 39.34 40.07 1m3i n TYR 492 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1m3i s PRO 493 N -3.05 0.20 -0.06 -0.72 0.02 0.11 -2.70 135.00 128.81 1m3i s PRO 493 Ca 0.45 1.20 -0.09 0.00 0.02 0.00 0.00 61.00 62.59 1m3i s PRO 493 Cb 0.24 -1.66 0.02 0.00 0.02 0.00 0.00 34.50 33.12 1m3i s PRO 493 CO -0.09 -3.08 0.22 0.20 -0.33 0.00 0.00 177.00 173.92 1m3i s GLY 494 N -2.65 -0.12 0.17 0.52 0.00 0.39 -4.84 107.32 100.79 1m3i s GLY 494 Ca 0.67 0.42 -0.12 0.00 0.00 0.00 0.00 44.72 45.69 1m3i s GLY 494 CO 0.61 0.30 0.35 -1.35 0.00 0.00 0.00 173.10 173.01 1m3i s SER 495 N -0.43 -0.05 -0.07 1.64 1.04 -1.26 0.20 113.70 114.76 1m3i s SER 495 Ca -0.05 -0.71 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 1m3i s SER 495 Cb -0.04 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.65 1m3i s SER 495 CO 0.01 -0.93 0.82 -0.94 0.98 0.00 0.00 173.24 173.19 1m3i s SER 496 N -2.92 -0.50 -0.06 7.02 1.04 0.33 -4.98 113.70 113.63 1m3i s SER 496 Ca 0.13 0.46 -0.00 0.00 0.48 0.00 0.00 55.95 57.02 1m3i s SER 496 Cb 0.02 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1m3i s SER 496 CO -0.02 -0.53 -0.01 -0.51 0.98 0.00 0.00 173.24 173.15 1m3i s ILE 497 N -1.56 0.34 0.39 -1.02 2.07 -1.25 -1.22 121.20 118.95 1m3i s ILE 497 Ca -0.05 0.08 0.08 0.00 -1.41 0.00 0.00 60.65 59.35 1m3i s ILE 497 Cb -0.00 -0.47 -0.07 0.00 0.13 0.00 0.00 42.46 42.06 1m3i s ILE 497 CO 0.03 0.22 0.05 -0.89 -1.91 0.00 0.00 174.94 172.44 1m3i s THR 498 N 1.56 2.22 0.14 4.00 2.01 -0.02 -4.95 115.64 120.59 1m3i s THR 498 Ca -0.02 -1.93 0.05 0.00 0.31 0.00 0.00 61.69 60.10 1m3i s THR 498 Cb -0.13 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1m3i s THR 498 CO -0.03 -0.06 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.42 1m3i s TYR 499 N -2.64 1.29 0.00 4.92 1.51 -1.26 -1.40 117.35 119.77 1m3i s TYR 499 Ca 0.36 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1m3i s TYR 499 Cb 0.06 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1m3i s TYR 499 CO 0.19 0.10 0.00 0.09 -1.11 0.00 0.00 175.55 174.82