#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4g h THR 34 N 0.00 0.08 -0.55 6.31 1.35 -2.02 -3.23 112.91 114.85 3i4g h THR 34 Ca 0.00 -0.90 0.11 0.00 -0.55 0.00 0.00 66.41 65.07 3i4g h THR 34 Cb 0.00 1.84 -0.09 0.00 -1.73 0.00 0.00 68.15 68.16 3i4g h THR 34 CO 0.00 0.04 -0.02 0.15 -0.25 0.00 0.00 175.52 175.45 3i4g h PHE 35 N 0.00 -0.07 0.00 4.73 3.57 -2.01 -0.98 116.94 122.18 3i4g h PHE 35 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3i4g h PHE 35 Cb 0.83 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3i4g h PHE 35 CO 0.00 -0.15 0.00 0.91 -2.23 0.00 0.00 178.31 176.84 3i4g n TRP 36 N -5.27 0.00 0.49 0.41 7.02 -1.22 -2.84 117.44 116.03 3i4g n TRP 36 Ca 0.07 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.64 3i4g n TRP 36 Cb 0.31 -0.14 0.39 0.00 -2.42 0.00 0.00 31.31 29.45 3i4g n TRP 36 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i4g n ASN 37 N -1.14 0.26 -4.14 -0.99 3.02 -0.37 -4.74 115.26 107.16 3i4g n ASN 37 Ca 0.12 0.56 -0.31 0.00 -0.03 0.00 0.00 54.58 54.92 3i4g n ASN 37 Cb 0.11 -0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 38.49 3i4g n ASN 37 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i4g s SER 38 N -3.49 2.93 0.45 6.41 0.15 -1.13 -4.97 113.70 114.05 3i4g s SER 38 Ca 0.06 -0.56 0.14 0.00 0.70 0.00 0.00 55.95 56.30 3i4g s SER 38 Cb 0.10 -1.35 1.00 0.00 -1.71 0.00 0.00 66.02 64.06 3i4g s SER 38 CO 0.33 0.06 2.00 -0.33 1.20 0.00 0.00 173.24 176.51 3i4g h GLU 39 N 7.35 0.03 -0.49 5.44 5.08 -1.89 -1.91 114.58 128.20 3i4g h GLU 39 Ca -0.32 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3i4g h GLU 39 Cb 1.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3i4g h GLU 39 CO 0.54 0.19 -0.06 1.03 -1.00 0.00 0.00 179.01 179.70 3i4g h SER 40 N 0.03 0.84 -0.48 1.42 0.87 -1.95 0.52 113.55 114.82 3i4g h SER 40 Ca 0.01 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 3i4g h SER 40 Cb 0.29 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3i4g h SER 40 CO 0.02 0.94 -0.10 0.78 -0.53 0.00 0.00 176.83 177.94 3i4g h ASN 41 N 0.78 0.91 -0.68 6.23 2.35 -1.68 0.38 115.58 123.87 3i4g h ASN 41 Ca 0.14 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3i4g h ASN 41 Cb 0.56 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3i4g h ASN 41 CO 0.03 1.05 0.45 0.00 -1.65 0.00 0.00 177.43 177.31 3i4g h ALA 42 N 0.89 0.87 -0.97 -0.83 0.00 -1.17 -0.22 119.26 117.84 3i4g h ALA 42 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i4g h ALA 42 Cb 0.64 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3i4g h ALA 42 CO 0.04 0.27 0.60 0.93 0.00 0.00 0.00 179.25 181.09 3i4g h GLU 43 N 0.91 1.30 -0.38 0.00 5.08 -0.53 0.49 114.58 121.45 3i4g h GLU 43 Ca 0.25 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3i4g h GLU 43 Cb -0.08 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.87 3i4g h GLU 43 CO -0.06 0.89 0.17 1.25 -1.00 0.00 0.00 179.01 180.26 3i4g h LEU 44 N 1.32 0.51 -0.84 1.33 5.85 -0.38 -1.01 115.31 122.08 3i4g h LEU 44 Ca 0.35 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3i4g h LEU 44 Cb -0.09 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3i4g h LEU 44 CO -0.07 0.51 0.49 0.00 -0.34 0.00 0.00 178.44 179.03 3i4g h ALA 45 N 1.02 1.08 -0.68 1.25 0.00 -0.62 -2.60 119.26 118.69 3i4g h ALA 45 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i4g h ALA 45 Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3i4g h ALA 45 CO -0.01 0.56 0.34 1.25 0.00 0.00 0.00 179.25 181.39 3i4g h LEU 46 N 1.17 0.86 -1.27 0.00 5.85 -0.52 -1.74 115.31 119.66 3i4g h LEU 46 Ca 0.30 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3i4g h LEU 46 Cb -0.01 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3i4g h LEU 46 CO -0.05 0.72 0.50 0.71 -0.34 0.00 0.00 178.44 179.98 3i4g h THR 47 N 0.96 1.15 -0.01 1.05 1.35 -0.81 -1.21 112.91 115.40 3i4g h THR 47 Ca 0.24 -0.33 -0.11 0.00 -0.55 0.00 0.00 66.41 65.66 3i4g h THR 47 Cb 0.07 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 66.57 3i4g h THR 47 CO -0.03 0.18 -0.53 0.28 -0.25 0.00 0.00 175.52 175.16 3i4g h SER 48 N 0.97 0.02 -0.41 5.36 0.02 -1.18 -1.33 113.55 116.99 3i4g h SER 48 Ca 0.29 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3i4g h SER 48 Cb -0.01 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3i4g h SER 48 CO -0.08 0.54 0.06 -0.07 -1.14 0.00 0.00 176.83 176.14 3i4g h LEU 49 N 0.01 0.66 -0.37 5.07 3.38 -0.42 -1.32 115.31 122.33 3i4g h LEU 49 Ca -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3i4g h LEU 49 Cb 0.94 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3i4g h LEU 49 CO 0.07 0.76 0.08 1.88 0.09 0.00 0.00 178.44 181.33 3i4g h TYR 50 N 0.54 0.62 -0.70 1.13 0.05 -1.08 -3.24 116.97 114.30 3i4g h TYR 50 Ca 0.12 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 3i4g h TYR 50 Cb 0.39 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3i4g h TYR 50 CO 0.03 0.62 0.16 -0.09 -1.05 0.00 0.00 178.16 177.83 3i4g h ARG 51 N 0.45 1.11 0.00 4.88 2.43 -1.18 -3.47 114.38 118.60 3i4g h ARG 51 Ca 0.11 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3i4g h ARG 51 Cb 0.31 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3i4g h ARG 51 CO 0.00 0.99 0.00 0.41 -1.51 0.00 0.00 179.97 179.86 3i4g n GLY 52 N -0.67 3.32 1.15 2.80 0.00 -0.50 -1.99 105.19 109.29 3i4g n GLY 52 Ca 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3i4g n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i4g n SER 53 N 3.46 3.35 -4.77 1.61 7.64 -1.26 -4.96 113.62 118.68 3i4g n SER 53 Ca 0.00 -1.98 -0.41 0.00 1.01 0.00 0.00 58.87 57.49 3i4g n SER 53 Cb 0.00 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 3i4g n SER 53 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3i4g s LEU 54 N -1.12 4.33 0.38 -3.43 2.96 -0.84 -4.88 118.68 116.07 3i4g s LEU 54 Ca 0.42 3.02 0.04 0.00 -0.22 0.00 0.00 54.13 57.39 3i4g s LEU 54 Cb 0.22 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3i4g s LEU 54 CO 0.30 -0.89 0.12 0.42 -1.32 0.00 0.00 176.35 174.98 3i4g s THR 55 N -0.79 0.69 0.26 3.68 -4.23 -1.26 -5.06 115.64 108.93 3i4g s THR 55 Ca 0.56 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 3i4g s THR 55 Cb -0.47 -2.46 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 3i4g s THR 55 CO 0.59 0.00 1.41 -0.62 -0.54 0.00 0.00 174.62 175.45 3i4g s ASP 56 N -3.55 6.69 0.00 3.99 2.15 -1.26 -4.84 116.67 119.85 3i4g s ASP 56 Ca 0.28 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.91 3i4g s ASP 56 Cb 0.04 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 3i4g s ASP 56 CO 0.15 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 3i4g n GLY 57 N 1.97 0.11 3.74 2.66 0.00 0.03 -4.90 105.19 108.79 3i4g n GLY 57 Ca 0.06 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 3i4g n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4g s VAL 58 N 0.00 3.52 0.03 1.61 1.01 -1.23 -2.66 120.40 122.67 3i4g s VAL 58 Ca 0.00 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.33 3i4g s VAL 58 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3i4g s VAL 58 CO 0.00 0.22 -0.15 -1.83 0.00 0.00 0.00 175.10 173.34 3i4g s GLU 59 N -0.37 1.04 0.00 2.72 -1.05 -1.26 -4.99 118.70 114.79 3i4g s GLU 59 Ca 0.52 -0.72 0.20 0.00 -0.15 0.00 0.00 54.97 54.82 3i4g s GLU 59 Cb -0.33 -1.05 0.41 0.00 -0.44 0.00 0.00 34.13 32.73 3i4g s GLU 59 CO 0.37 0.27 1.34 0.66 0.95 0.00 0.00 175.26 178.86 3i4g n TYR 60 N 2.09 0.54 -3.71 4.83 4.01 -1.26 -4.90 117.16 118.76 3i4g n TYR 60 Ca -0.17 -0.32 -0.05 0.00 -0.16 0.00 0.00 57.90 57.20 3i4g n TYR 60 Cb 0.55 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 3i4g n TYR 60 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3i4g s ASN 61 N -1.24 -0.24 0.35 7.72 2.20 -1.26 -5.12 114.94 117.35 3i4g s ASN 61 Ca 0.35 -0.34 -0.29 0.00 -0.94 0.00 0.00 52.86 51.65 3i4g s ASN 61 Cb 0.20 0.51 -0.11 0.00 -2.00 0.00 0.00 41.25 39.85 3i4g s ASN 61 CO 0.27 -0.92 1.41 -2.84 -2.94 0.00 0.00 177.10 172.09 3i4g s PRO 62 N -3.37 4.22 0.00 3.55 0.02 -1.26 -4.76 135.00 133.40 3i4g s PRO 62 Ca 0.10 2.41 0.15 0.00 0.02 0.00 0.00 61.00 63.68 3i4g s PRO 62 Cb -0.02 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 3i4g s PRO 62 CO 0.00 -0.39 0.76 -1.13 -0.33 0.00 0.00 177.00 175.91 3i4g n SER 63 N 0.78 1.28 -3.60 2.53 3.41 -1.26 -4.76 113.62 112.00 3i4g n SER 63 Ca 0.01 -1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 57.42 3i4g n SER 63 Cb 0.40 0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 3i4g n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4g s ASP 64 N -2.02 -0.20 0.64 4.04 -1.08 -1.26 -4.15 116.67 112.64 3i4g s ASP 64 Ca 0.10 0.14 0.36 0.00 -0.52 0.00 0.00 52.55 52.63 3i4g s ASP 64 Cb 0.12 0.18 1.99 0.00 -1.46 0.00 0.00 42.92 43.75 3i4g s ASP 64 CO 0.46 -0.24 2.17 -0.50 0.52 0.00 0.00 175.17 177.58 3i4g h TRP 65 N 2.19 0.00 -0.12 -5.34 4.06 -1.94 -2.48 115.95 112.31 3i4g h TRP 65 Ca -0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.82 3i4g h TRP 65 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 3i4g h TRP 65 CO 0.26 0.00 0.00 0.91 -3.56 0.00 0.00 178.44 176.05 3i4g n TRP 66 N -3.25 0.15 -1.40 0.49 8.01 -1.26 -4.75 117.44 115.43 3i4g n TRP 66 Ca -0.02 -0.13 -0.29 0.00 -1.31 0.00 0.00 57.50 55.75 3i4g n TRP 66 Cb 0.22 -0.01 0.14 0.00 -2.01 0.00 0.00 31.31 29.65 3i4g n TRP 66 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3i4g s SER 67 N -1.10 3.51 0.20 -0.99 1.04 -0.93 -4.91 113.70 110.51 3i4g s SER 67 Ca 0.19 1.17 -0.08 0.00 0.48 0.00 0.00 55.95 57.71 3i4g s SER 67 Cb 0.12 -1.82 0.14 0.00 0.10 0.00 0.00 66.02 64.56 3i4g s SER 67 CO 0.18 -2.58 1.72 0.10 0.98 0.00 0.00 173.24 173.64 3i4g h TYR 68 N -1.51 1.17 0.00 5.02 -0.00 -1.94 -2.40 116.97 117.31 3i4g h TYR 68 Ca -0.51 -0.15 -0.17 0.00 0.00 0.00 0.00 58.73 57.90 3i4g h TYR 68 Cb 1.31 -0.33 -0.02 0.00 0.00 0.00 0.00 36.73 37.69 3i4g h TYR 68 CO 0.35 0.96 -0.83 1.25 -0.00 0.00 0.00 178.16 179.89 3i4g h HIS 69 N 1.05 0.00 0.00 0.10 2.76 -1.91 -2.64 115.15 114.51 3i4g h HIS 69 Ca 0.21 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 3i4g h HIS 69 Cb 0.40 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.36 3i4g h HIS 69 CO 0.03 0.83 0.00 0.41 -1.30 0.00 0.00 177.93 177.90 3i4g n GLY 70 N 0.88 -0.93 0.01 5.26 0.00 -0.90 -4.60 105.19 104.91 3i4g n GLY 70 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3i4g n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4g n ILE 72 N -1.12 0.00 0.00 -0.61 5.41 -1.00 -4.74 119.36 117.29 3i4g n ILE 72 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 3i4g n ILE 72 Cb 0.13 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 3i4g n ILE 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3i4g n GLU 75 N 0.01 0.00 0.21 0.38 4.07 -1.26 -4.09 120.64 119.95 3i4g n GLU 75 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 3i4g n GLU 75 Cb 0.00 0.00 0.74 0.00 -0.06 0.00 0.00 31.44 32.12 3i4g n GLU 75 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3i4g h HIS 76 N 0.00 0.00 -0.02 4.31 3.86 -1.88 -1.75 115.15 119.67 3i4g h HIS 76 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i4g h HIS 76 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3i4g h HIS 76 CO 0.00 0.00 -0.11 1.28 0.86 0.00 0.00 177.93 179.96 3i4g n LEU 77 N -2.54 1.67 -4.83 2.43 4.77 -1.26 -4.43 117.00 112.81 3i4g n LEU 77 Ca -0.01 -0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 55.16 3i4g n LEU 77 Cb 0.11 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3i4g n LEU 77 CO 0.16 0.29 -0.06 -0.94 -1.33 0.00 0.00 177.39 175.50 3i4g s SER 78 N -2.18 4.51 0.00 -1.43 1.04 -0.66 -4.79 113.70 110.19 3i4g s SER 78 Ca 0.31 -1.24 0.13 0.00 0.48 0.00 0.00 55.95 55.62 3i4g s SER 78 Cb 0.20 0.13 0.60 0.00 0.10 0.00 0.00 66.02 67.06 3i4g s SER 78 CO 0.40 -0.88 1.35 -0.90 0.98 0.00 0.00 173.24 174.19 3i4g n ASP 79 N -1.52 0.00 0.14 7.02 5.75 -1.26 -3.25 116.55 123.44 3i4g n ASP 79 Ca -0.04 0.24 0.09 0.00 -0.01 0.00 0.00 54.79 55.07 3i4g n ASP 79 Cb 0.65 -0.36 0.05 0.00 -1.03 0.00 0.00 41.12 40.43 3i4g n ASP 79 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3i4g h ASN 80 N 0.00 0.00 -5.01 -1.12 2.35 -1.94 -3.37 115.58 106.49 3i4g h ASN 80 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i4g h ASN 80 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3i4g h ASN 80 CO 0.00 0.15 0.28 0.00 -1.65 0.00 0.00 177.43 176.20 3i4g s ALA 81 N -3.19 -0.84 0.01 -0.83 0.00 -1.20 -0.93 121.76 114.78 3i4g s ALA 81 Ca 0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 3i4g s ALA 81 Cb 0.07 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3i4g s ALA 81 CO 0.74 -1.00 0.08 0.12 0.00 0.00 0.00 175.76 175.71 3i4g s PHE 82 N -2.54 0.13 -0.20 0.00 5.36 0.12 -4.55 117.98 116.30 3i4g s PHE 82 Ca 0.15 -0.31 -0.18 0.00 -0.96 0.00 0.00 56.93 55.64 3i4g s PHE 82 Cb -0.05 -0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.49 3i4g s PHE 82 CO 0.11 -0.27 0.49 0.34 -1.46 0.00 0.00 175.22 174.42 3i4g s ASP 83 N -1.52 6.53 0.54 6.13 -1.08 -1.26 -2.45 116.67 123.56 3i4g s ASP 83 Ca -0.14 0.63 0.24 0.00 -0.52 0.00 0.00 52.55 52.77 3i4g s ASP 83 Cb -0.07 -2.28 1.42 0.00 -1.46 0.00 0.00 42.92 40.53 3i4g s ASP 83 CO -0.00 -0.16 2.04 -0.09 0.52 0.00 0.00 175.17 177.49 3i4g h ARG 84 N 7.45 0.00 0.00 4.34 2.43 -1.62 0.36 114.38 127.34 3i4g h ARG 84 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3i4g h ARG 84 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3i4g h ARG 84 CO 0.73 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 179.19 3i4g h ARG 85 N 0.00 0.00 0.00 0.20 3.08 -1.93 -3.48 114.38 112.26 3i4g h ARG 85 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i4g h ARG 85 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3i4g h ARG 85 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3i4g n GLY 86 N -0.58 -3.20 0.27 0.04 0.00 0.11 -4.35 105.19 97.48 3i4g n GLY 86 Ca -0.00 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.25 3i4g n GLY 86 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i4g h GLU 87 N 0.00 0.00 -0.47 1.61 5.08 -1.93 -1.71 114.58 117.16 3i4g h GLU 87 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4g h GLU 87 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i4g h GLU 87 CO 0.00 0.10 0.00 -1.71 -1.00 0.00 0.00 179.01 176.40 3i4g n ASN 88 N -3.34 3.11 -4.72 1.42 5.15 -1.26 -4.65 115.26 110.97 3i4g n ASN 88 Ca -0.01 -1.96 -0.42 0.00 -0.60 0.00 0.00 54.58 51.60 3i4g n ASN 88 Cb 0.29 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 3i4g n ASN 88 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3i4g s ASN 89 N -1.26 7.32 0.58 1.20 3.84 -0.64 -4.93 114.94 121.04 3i4g s ASN 89 Ca 0.39 1.82 0.35 0.00 0.21 0.00 0.00 52.86 55.63 3i4g s ASN 89 Cb 0.21 -2.58 1.78 0.00 -0.55 0.00 0.00 41.25 40.11 3i4g s ASN 89 CO 0.29 -0.26 2.16 -0.65 -2.79 0.00 0.00 177.10 175.85 3i4g h PRO 90 N 6.34 0.00 -0.03 0.43 0.11 -1.90 -2.25 132.00 134.70 3i4g h PRO 90 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3i4g h PRO 90 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i4g h PRO 90 CO 0.75 0.04 -0.00 0.35 -0.21 0.00 0.00 178.00 178.94 3i4g h PHE 91 N 0.00 0.06 -0.46 0.65 3.57 -1.94 -2.69 116.94 116.13 3i4g h PHE 91 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3i4g h PHE 91 Cb 0.25 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3i4g h PHE 91 CO 0.00 0.36 0.31 0.35 -2.23 0.00 0.00 178.31 177.10 3i4g h PHE 92 N -0.26 0.34 0.00 0.41 3.57 -1.72 -1.72 116.94 117.56 3i4g h PHE 92 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3i4g h PHE 92 Cb 0.34 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3i4g h PHE 92 CO 0.04 0.18 0.00 0.87 -2.23 0.00 0.00 178.31 177.17 3i4g h LYS 93 N 0.34 0.00 -0.97 1.11 1.57 -1.08 -2.92 116.57 114.63 3i4g h LYS 93 Ca 0.20 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 3i4g h LYS 93 Cb 0.37 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 3i4g h LYS 93 CO -0.05 0.00 0.59 0.82 -0.57 0.00 0.00 179.45 180.24 3i4g h ILE 94 N 0.00 0.86 0.00 1.86 2.04 -1.25 -2.59 117.51 118.43 3i4g h ILE 94 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3i4g h ILE 94 Cb 0.25 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3i4g h ILE 94 CO 0.00 0.16 -0.05 -1.54 0.00 0.00 0.00 178.15 176.72 3i4g n SER 95 N -4.69 1.90 -0.46 1.72 3.41 -1.11 -4.63 113.62 109.75 3i4g n SER 95 Ca 0.19 -2.56 0.12 0.00 -0.26 0.00 0.00 58.87 56.36 3i4g n SER 95 Cb 0.39 -0.26 0.20 0.00 -0.26 0.00 0.00 64.21 64.29 3i4g n SER 95 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i4g n SER 96 N -0.95 1.74 0.00 4.04 3.41 -1.16 -4.27 113.62 116.42 3i4g n SER 96 Ca 0.09 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 3i4g n SER 96 Cb 0.53 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3i4g n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4g n GLY 97 N 1.36 0.76 0.17 5.00 0.00 -1.26 -0.68 105.19 110.54 3i4g n GLY 97 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3i4g n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4g n ASN 98 N 0.00 2.47 -4.71 1.61 3.02 -1.24 -4.87 115.26 111.55 3i4g n ASN 98 Ca 0.00 -3.12 -0.42 0.00 -0.03 0.00 0.00 54.58 51.01 3i4g n ASN 98 Cb 0.00 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 3i4g n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3i4g s LEU 99 N -2.89 4.34 0.25 3.41 2.96 -0.98 -4.88 118.68 120.89 3i4g s LEU 99 Ca 0.33 1.82 0.07 0.00 -0.22 0.00 0.00 54.13 56.13 3i4g s LEU 99 Cb 0.29 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 3i4g s LEU 99 CO 0.03 -0.41 -0.09 0.42 -1.32 0.00 0.00 176.35 174.97 3i4g s THR 100 N 1.31 1.71 -0.13 3.68 -4.23 -1.26 -5.01 115.64 111.71 3i4g s THR 100 Ca 0.55 -2.17 0.29 0.00 -1.18 0.00 0.00 61.69 59.18 3i4g s THR 100 Cb -0.25 -2.30 0.32 0.00 1.34 0.00 0.00 72.50 71.61 3i4g s THR 100 CO 0.27 -0.41 1.87 0.00 -0.54 0.00 0.00 174.62 175.81 3i4g h ALA 101 N 2.38 1.00 -0.28 3.99 0.00 -1.92 -2.31 119.26 122.12 3i4g h ALA 101 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i4g h ALA 101 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i4g h ALA 101 CO 0.65 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 3i4g n ASP 102 N -2.63 1.82 -4.72 0.00 5.75 -1.26 -0.87 116.55 114.64 3i4g n ASP 102 Ca 0.01 -2.08 -0.42 0.00 -0.01 0.00 0.00 54.79 52.29 3i4g n ASP 102 Cb 0.22 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 3i4g n ASP 102 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3i4g s ASN 103 N -0.85 6.52 0.34 -1.12 3.84 -0.87 -4.90 114.94 117.89 3i4g s ASN 103 Ca 0.20 2.70 0.13 0.00 0.21 0.00 0.00 52.86 56.10 3i4g s ASN 103 Cb 0.11 -2.59 0.60 0.00 -0.55 0.00 0.00 41.25 38.82 3i4g s ASN 103 CO 0.12 -0.88 1.74 0.00 -2.79 0.00 0.00 177.10 175.29 3i4g h ALA 104 N 6.84 1.16 -0.01 1.71 0.00 -1.92 -2.76 119.26 124.28 3i4g h ALA 104 Ca -0.43 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 53.86 3i4g h ALA 104 Cb 1.20 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.94 3i4g h ALA 104 CO 0.93 0.57 -0.80 0.74 0.00 0.00 0.00 179.25 180.69 3i4g h PHE 105 N 0.00 0.82 -0.29 0.00 -1.00 -1.90 -1.87 116.94 112.71 3i4g h PHE 105 Ca -0.00 -0.44 -0.08 0.00 2.81 0.00 0.00 57.97 60.25 3i4g h PHE 105 Cb 0.85 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.30 3i4g h PHE 105 CO 0.00 1.27 -0.16 -0.84 -1.61 0.00 0.00 178.31 176.97 3i4g h ILE 106 N 0.15 1.24 -0.54 -0.55 3.07 -1.94 -2.06 117.51 116.88 3i4g h ILE 106 Ca -0.10 -1.10 -0.05 0.00 1.55 0.00 0.00 64.86 65.16 3i4g h ILE 106 Cb 1.49 1.21 -0.02 0.00 -0.27 0.00 0.00 36.82 39.22 3i4g h ILE 106 CO 0.16 0.36 0.13 0.50 -1.05 0.00 0.00 178.15 178.25 3i4g h LYS 107 N 0.46 0.82 -0.14 0.16 1.63 -1.38 -1.24 116.57 116.88 3i4g h LYS 107 Ca 0.08 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3i4g h LYS 107 Cb 0.55 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3i4g h LYS 107 CO 0.04 0.74 0.03 -0.09 -3.45 0.00 0.00 179.45 176.72 3i4g h ARG 108 N 0.80 0.23 -0.49 1.90 9.65 -0.72 0.12 114.38 125.86 3i4g h ARG 108 Ca 0.18 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 3i4g h ARG 108 Cb 0.29 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3i4g h ARG 108 CO -0.00 0.39 0.26 1.88 2.80 0.00 0.00 179.97 185.29 3i4g h TYR 109 N 0.03 0.47 0.21 2.20 0.05 -1.24 -1.36 116.97 117.34 3i4g h TYR 109 Ca 0.04 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3i4g h TYR 109 Cb 0.26 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3i4g h TYR 109 CO 0.01 0.24 -0.16 2.35 -1.05 0.00 0.00 178.16 179.55 3i4g h TRP 110 N 0.51 -0.42 -0.57 4.88 2.91 -1.00 -2.21 115.95 120.05 3i4g h TRP 110 Ca 0.21 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 3i4g h TRP 110 Cb 0.10 0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 3i4g h TRP 110 CO -0.09 -0.25 0.30 1.49 -1.03 0.00 0.00 178.44 178.86 3i4g h GLU 111 N -0.38 0.81 -0.16 2.65 4.22 -0.59 -1.50 114.58 119.62 3i4g h GLU 111 Ca -0.01 -0.10 -0.15 0.00 0.08 0.00 0.00 59.36 59.18 3i4g h GLU 111 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i4g h GLU 111 CO -0.01 0.63 -0.52 1.79 -2.18 0.00 0.00 179.01 178.73 3i4g h THR 112 N 0.77 1.33 0.42 0.32 1.35 -1.28 -1.28 112.91 114.54 3i4g h THR 112 Ca 0.20 -1.76 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3i4g h THR 112 Cb 0.07 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3i4g h THR 112 CO -0.03 0.54 -0.20 0.28 -0.25 0.00 0.00 175.52 175.86 3i4g h SER 113 N 0.36 -0.47 0.59 5.36 0.02 -1.08 -1.86 113.55 116.46 3i4g h SER 113 Ca 0.01 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3i4g h SER 113 Cb 1.03 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3i4g h SER 113 CO 0.09 -0.29 -0.41 1.88 -1.14 0.00 0.00 176.83 176.96 3i4g h TYR 114 N -0.62 0.00 -0.01 3.45 0.05 -1.27 0.21 116.97 118.77 3i4g h TYR 114 Ca -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 3i4g h TYR 114 Cb 0.46 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 3i4g h TYR 114 CO -0.03 0.41 0.00 -0.22 -1.05 0.00 0.00 178.16 177.27 3i4g h LYS 115 N 0.00 0.02 -0.61 4.88 3.64 -1.16 -0.26 116.57 123.08 3i4g h LYS 115 Ca -0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3i4g h LYS 115 Cb 0.82 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 3i4g h LYS 115 CO 0.05 0.20 0.17 -0.09 -2.27 0.00 0.00 179.45 177.51 3i4g h ARG 116 N -0.16 0.97 -0.53 1.90 2.43 -0.99 -1.88 114.38 116.12 3i4g h ARG 116 Ca 0.00 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3i4g h ARG 116 Cb 0.18 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3i4g h ARG 116 CO -0.00 0.87 0.26 0.82 -1.51 0.00 0.00 179.97 180.42 3i4g h ILE 117 N 0.89 0.94 -0.69 1.20 2.04 -0.86 0.78 117.51 121.80 3i4g h ILE 117 Ca 0.20 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3i4g h ILE 117 Cb 0.32 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3i4g h ILE 117 CO -0.00 0.09 0.26 1.23 0.00 0.00 0.00 178.15 179.73 3i4g h GLY 118 N 0.51 1.12 1.38 5.37 0.00 -0.70 0.70 103.07 111.44 3i4g h GLY 118 Ca 0.24 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 3i4g h GLY 118 CO -0.17 0.59 -0.15 -0.97 0.00 0.00 0.00 176.54 175.83 3i4g h TYR 119 N 0.99 0.81 -0.74 5.60 0.05 -0.76 -1.28 116.97 121.63 3i4g h TYR 119 Ca 0.23 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 3i4g h TYR 119 Cb 0.24 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3i4g h TYR 119 CO 0.02 0.84 0.29 0.00 -1.05 0.00 0.00 178.16 178.25 3i4g h ASN 121 N 1.08 0.91 -0.69 0.00 2.35 -0.56 0.12 115.58 118.79 3i4g h ASN 121 Ca 0.25 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3i4g h ASN 121 Cb 0.23 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3i4g h ASN 121 CO -0.02 0.81 0.38 0.03 -1.65 0.00 0.00 177.43 176.98 3i4g h ARG 122 N 0.96 0.96 -0.28 0.81 3.08 -0.94 -1.95 114.38 117.02 3i4g h ARG 122 Ca 0.23 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3i4g h ARG 122 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3i4g h ARG 122 CO -0.03 0.72 0.06 0.35 -1.07 0.00 0.00 179.97 180.00 3i4g h PHE 123 N 0.94 0.47 -0.35 3.04 3.04 -0.76 -0.64 116.94 122.68 3i4g h PHE 123 Ca 0.24 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 3i4g h PHE 123 Cb 0.04 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 3i4g h PHE 123 CO -0.01 0.53 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.59 3i4g h LEU 124 N 0.28 0.62 0.17 0.59 3.38 -0.85 -0.66 115.31 118.84 3i4g h LEU 124 Ca 0.09 -0.19 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 3i4g h LEU 124 Cb 0.30 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.91 3i4g h LEU 124 CO 0.00 0.79 -1.33 -0.37 0.09 0.00 0.00 178.44 177.62 3i4g h VAL 125 N 0.57 1.40 -0.37 1.22 -1.51 -1.37 -3.28 116.25 112.90 3i4g h VAL 125 Ca 0.09 -2.87 -0.08 0.00 -1.23 0.00 0.00 66.70 62.62 3i4g h VAL 125 Cb 0.59 2.96 -0.02 0.00 -2.13 0.00 0.00 31.29 32.69 3i4g h VAL 125 CO 0.04 0.85 -0.08 1.23 -1.23 0.00 0.00 177.57 178.37 3i4g h GLY 126 N 0.93 0.68 1.80 5.19 0.00 -0.84 -3.15 103.07 107.67 3i4g h GLY 126 Ca -0.19 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3i4g h GLY 126 CO 0.24 0.44 -0.13 4.51 0.00 0.00 0.00 176.54 181.59 3i4g n ILE 127 N -4.20 0.37 -0.34 2.60 3.06 -0.28 -4.31 119.36 116.27 3i4g n ILE 127 Ca 0.01 -0.19 0.09 0.00 -2.50 0.00 0.00 62.75 60.16 3i4g n ILE 127 Cb 0.32 -0.43 0.28 0.00 0.54 0.00 0.00 39.64 40.35 3i4g n ILE 127 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 3i4g h GLN 128 N 0.00 0.87 -0.38 9.51 4.20 -1.60 -1.41 115.11 126.31 3i4g h GLN 128 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3i4g h GLN 128 Cb 0.66 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3i4g h GLN 128 CO 0.00 0.58 0.00 0.09 -0.67 0.00 0.00 178.83 178.83 3i4g n ASN 129 N -4.62 2.63 -4.81 1.46 3.02 -1.26 -4.95 115.26 106.73 3i4g n ASN 129 Ca 0.19 -1.91 -0.30 0.00 -0.03 0.00 0.00 54.58 52.53 3i4g n ASN 129 Cb 0.40 -0.25 0.08 0.00 -0.61 0.00 0.00 39.78 39.40 3i4g n ASN 129 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i4g s SER 130 N -1.31 4.81 0.30 6.41 0.01 -0.53 -4.96 113.70 118.43 3i4g s SER 130 Ca 0.35 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.72 3i4g s SER 130 Cb 0.19 -2.19 -0.13 0.00 0.21 0.00 0.00 66.02 64.11 3i4g s SER 130 CO 0.27 -1.78 1.24 -1.20 0.41 0.00 0.00 173.24 172.18 3i4g n SER 131 N -3.32 2.36 -4.76 2.44 7.64 -1.26 -4.91 113.62 111.80 3i4g n SER 131 Ca 0.07 1.18 -0.40 0.00 1.01 0.00 0.00 58.87 60.74 3i4g n SER 131 Cb 0.55 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 3i4g n SER 131 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3i4g s GLU 132 N -1.42 4.45 0.06 1.43 0.41 -1.26 -4.83 118.70 117.54 3i4g s GLU 132 Ca 0.60 1.88 -0.27 0.00 -0.41 0.00 0.00 54.97 56.76 3i4g s GLU 132 Cb -0.63 -3.04 0.09 0.00 -1.78 0.00 0.00 34.13 28.77 3i4g s GLU 132 CO 0.59 0.02 0.97 -1.54 -0.49 0.00 0.00 175.26 174.80 3i4g s SER 133 N -0.88 -0.24 0.30 -0.19 1.04 -1.26 -4.98 113.70 107.49 3i4g s SER 133 Ca 0.48 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 3i4g s SER 133 Cb -0.33 0.40 0.47 0.00 0.10 0.00 0.00 66.02 66.67 3i4g s SER 133 CO 0.42 -0.71 1.91 -0.33 0.98 0.00 0.00 173.24 175.51 3i4g h GLU 134 N 2.00 0.89 -0.49 4.02 5.08 -2.00 -1.98 114.58 122.11 3i4g h GLU 134 Ca -0.23 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 3i4g h GLU 134 Cb 1.23 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3i4g h GLU 134 CO 0.28 0.69 0.10 0.87 -1.00 0.00 0.00 179.01 179.95 3i4g h LYS 135 N 0.89 0.79 -0.30 2.33 1.57 -1.98 -0.86 116.57 119.03 3i4g h LYS 135 Ca 0.22 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3i4g h LYS 135 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3i4g h LYS 135 CO -0.03 0.78 0.14 -0.22 -0.57 0.00 0.00 179.45 179.55 3i4g h LYS 136 N 0.67 0.28 -0.88 3.15 3.64 -1.79 -2.79 116.57 118.86 3i4g h LYS 136 Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3i4g h LYS 136 Cb 0.35 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 3i4g h LYS 136 CO 0.00 0.19 0.49 1.15 -2.27 0.00 0.00 179.45 179.01 3i4g h THR 137 N 0.29 1.25 0.00 1.00 2.02 -1.17 -1.26 112.91 115.04 3i4g h THR 137 Ca 0.13 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3i4g h THR 137 Cb 0.06 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3i4g h THR 137 CO -0.10 0.28 0.00 -1.14 0.37 0.00 0.00 175.52 174.93 3i4g n ARG 138 N -4.36 0.14 0.00 6.66 0.63 -0.34 -2.16 116.66 117.23 3i4g n ARG 138 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3i4g n ARG 138 Cb 0.09 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.82 3i4g n ARG 138 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3i4g n ILE 140 N 0.58 0.00 -0.34 5.15 5.41 -0.48 -0.93 119.36 128.76 3i4g n ILE 140 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 3i4g n ILE 140 Cb 0.04 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.12 3i4g n ILE 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4g h ALA 141 N 0.00 1.32 -0.35 -1.39 0.00 -1.69 -0.65 119.26 116.49 3i4g h ALA 141 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i4g h ALA 141 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3i4g h ALA 141 CO 0.00 0.63 0.12 0.93 0.00 0.00 0.00 179.25 180.93 3i4g h GLU 142 N 1.28 0.53 -0.79 0.00 5.08 -1.32 0.29 114.58 119.64 3i4g h GLU 142 Ca 0.34 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3i4g h GLU 142 Cb -0.14 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 3i4g h GLU 142 CO -0.07 0.54 0.36 0.00 -1.00 0.00 0.00 179.01 178.84 3i4g h ALA 143 N 0.97 1.14 -0.54 3.43 0.00 -1.76 -0.87 119.26 121.61 3i4g h ALA 143 Ca 0.11 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3i4g h ALA 143 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i4g h ALA 143 CO -0.01 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.81 3i4g h ARG 144 N 1.14 1.01 0.05 0.00 3.08 -0.88 -0.58 114.38 118.20 3i4g h ARG 144 Ca 0.27 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3i4g h ARG 144 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3i4g h ARG 144 CO -0.03 1.04 -0.06 0.35 -1.07 0.00 0.00 179.97 180.20 3i4g h PHE 145 N 0.89 -0.16 -0.53 3.04 3.57 -0.64 -0.40 116.94 122.71 3i4g h PHE 145 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3i4g h PHE 145 Cb 0.63 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 3i4g h PHE 145 CO 0.04 -0.10 0.31 -0.07 -2.23 0.00 0.00 178.31 176.27 3i4g h LEU 146 N -0.13 0.65 -0.47 0.59 3.38 -1.05 -0.97 115.31 117.30 3i4g h LEU 146 Ca 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3i4g h LEU 146 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3i4g h LEU 146 CO -0.03 0.53 0.23 -0.09 0.09 0.00 0.00 178.44 179.17 3i4g h ARG 147 N 0.72 0.69 -0.27 1.13 2.43 -0.99 -2.82 114.38 115.25 3i4g h ARG 147 Ca 0.19 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3i4g h ARG 147 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3i4g h ARG 147 CO -0.03 0.58 -0.08 0.00 -1.51 0.00 0.00 179.97 178.92 3i4g h ALA 148 N 1.07 1.35 -0.48 2.80 0.00 -0.70 -1.98 119.26 121.32 3i4g h ALA 148 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i4g h ALA 148 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i4g h ALA 148 CO -0.02 0.44 0.25 1.79 0.00 0.00 0.00 179.25 181.72 3i4g h THR 149 N 0.42 1.15 -0.37 0.00 1.35 -0.94 0.02 112.91 114.55 3i4g h THR 149 Ca 0.08 -0.40 -0.06 0.00 -0.55 0.00 0.00 66.41 65.48 3i4g h THR 149 Cb 0.41 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3i4g h THR 149 CO 0.02 0.17 -0.01 1.56 -0.25 0.00 0.00 175.52 177.01 3i4g h GLN 150 N 0.67 0.65 -0.23 4.72 1.08 -1.24 -2.02 115.11 118.74 3i4g h GLN 150 Ca 0.17 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 3i4g h GLN 150 Cb 0.04 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3i4g h GLN 150 CO -0.03 0.77 -0.14 1.88 -0.95 0.00 0.00 178.83 180.36 3i4g h TYR 151 N 0.47 0.42 -0.17 2.96 0.05 -1.25 -0.59 116.97 118.86 3i4g h TYR 151 Ca 0.10 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.83 3i4g h TYR 151 Cb 0.49 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3i4g h TYR 151 CO 0.04 0.52 0.08 0.35 -1.05 0.00 0.00 178.16 178.10 3i4g h PHE 152 N 0.36 0.15 -0.25 4.88 3.57 -0.58 0.12 116.94 125.19 3i4g h PHE 152 Ca 0.07 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 3i4g h PHE 152 Cb 0.47 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3i4g h PHE 152 CO 0.01 0.09 -0.45 1.88 -2.23 0.00 0.00 178.31 177.61 3i4g h TYR 153 N 0.18 0.93 -0.45 0.41 0.05 -1.20 -1.48 116.97 115.41 3i4g h TYR 153 Ca 0.07 -0.33 0.06 0.00 0.05 0.00 0.00 58.73 58.58 3i4g h TYR 153 Cb 0.01 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.53 3i4g h TYR 153 CO -0.09 1.12 0.15 -0.07 -1.05 0.00 0.00 178.16 178.22 3i4g h LEU 154 N 0.47 0.15 -1.64 3.88 3.38 -0.99 -2.00 115.31 118.57 3i4g h LEU 154 Ca 0.01 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3i4g h LEU 154 Cb 1.05 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3i4g h LEU 154 CO 0.10 0.12 -0.20 0.00 0.09 0.00 0.00 178.44 178.55 3i4g h ALA 155 N 1.30 1.47 -0.19 1.53 0.00 -0.73 0.49 119.26 123.13 3i4g h ALA 155 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3i4g h ALA 155 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i4g h ALA 155 CO -0.22 0.25 -0.34 0.77 0.00 0.00 0.00 179.25 179.71 3i4g h SER 156 N 0.00 0.41 0.00 0.00 0.02 -0.51 -3.25 113.55 110.23 3i4g h SER 156 Ca -0.00 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 3i4g h SER 156 Cb 0.41 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3i4g h SER 156 CO 0.03 0.73 -1.03 -1.22 -1.14 0.00 0.00 176.83 174.20 3i4g n TYR 157 N -4.07 0.00 0.08 3.45 4.01 -1.05 -4.72 117.16 114.85 3i4g n TYR 157 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.68 3i4g n TYR 157 Cb 0.45 -0.10 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 3i4g n TYR 157 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3i4g h PHE 158 N -0.11 0.00 0.00 -0.72 0.04 -1.17 0.11 116.94 115.09 3i4g h PHE 158 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3i4g h PHE 158 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 3i4g h PHE 158 CO -0.02 0.89 0.00 1.63 -0.60 0.00 0.00 178.31 180.22 3i4g n LYS 159 N -3.32 0.00 -3.76 1.51 5.02 -0.47 -4.71 118.16 112.43 3i4g n LYS 159 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3i4g n LYS 159 Cb 0.90 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.79 3i4g n LYS 159 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i4g s ASN 160 N 0.00 5.28 0.12 4.39 0.01 -1.26 -2.87 114.94 120.61 3i4g s ASN 160 Ca 0.00 -1.40 -0.05 0.00 -0.71 0.00 0.00 52.86 50.70 3i4g s ASN 160 Cb 0.00 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.79 3i4g s ASN 160 CO 0.00 -0.39 0.14 0.68 -1.51 0.00 0.00 177.10 176.02 3i4g s VAL 161 N 1.33 0.12 0.23 1.60 -7.23 -0.91 -4.80 120.40 110.74 3i4g s VAL 161 Ca 0.00 -1.58 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 3i4g s VAL 161 Cb -0.21 -1.74 -0.11 0.00 0.56 0.00 0.00 36.38 34.88 3i4g s VAL 161 CO 0.01 -0.54 1.56 -2.84 -0.31 0.00 0.00 175.10 172.97 3i4g s PRO 162 N -3.96 4.19 -0.62 4.82 0.02 -1.25 -0.70 135.00 137.50 3i4g s PRO 162 Ca 0.15 2.44 -0.14 0.00 0.02 0.00 0.00 61.00 63.47 3i4g s PRO 162 Cb 0.06 -3.09 0.16 0.00 0.02 0.00 0.00 34.50 31.64 3i4g s PRO 162 CO -0.03 -0.58 0.55 -1.17 -0.33 0.00 0.00 177.00 175.44 3i4g s LEU 163 N 0.25 6.24 -0.23 -5.54 2.96 -1.26 -4.89 118.68 116.20 3i4g s LEU 163 Ca 0.66 -2.12 -0.07 0.00 -0.22 0.00 0.00 54.13 52.37 3i4g s LEU 163 Cb -0.45 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 3i4g s LEU 163 CO 0.39 -0.73 0.07 -0.69 -1.32 0.00 0.00 176.35 174.08 3i4g s VAL 164 N 1.07 4.48 -0.01 1.68 1.01 -1.26 -4.94 120.40 122.43 3i4g s VAL 164 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3i4g s VAL 164 Cb -0.23 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3i4g s VAL 164 CO -0.01 0.36 0.06 -0.62 0.00 0.00 0.00 175.10 174.89 3i4g n GLU 165 N 4.59 1.01 -3.99 2.72 1.02 -1.26 -4.97 120.64 119.75 3i4g n GLU 165 Ca -0.16 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.73 3i4g n GLU 165 Cb 0.52 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 3i4g n GLU 165 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3i4g s ASN 166 N -2.66 6.18 -0.11 1.62 0.01 -1.26 -4.77 114.94 113.94 3i4g s ASN 166 Ca -0.01 0.04 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 3i4g s ASN 166 Cb 0.02 -1.79 -0.02 0.00 0.41 0.00 0.00 41.25 39.87 3i4g s ASN 166 CO 0.14 -0.02 1.23 -0.69 -1.51 0.00 0.00 177.10 176.25 3i4g s VAL 167 N -1.92 4.27 0.14 1.60 1.01 -1.26 -4.99 120.40 119.24 3i4g s VAL 167 Ca 0.34 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.96 3i4g s VAL 167 Cb -0.09 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3i4g s VAL 167 CO 0.28 -0.08 -0.10 -0.76 0.00 0.00 0.00 175.10 174.44 3i4g s LEU 168 N 2.91 2.98 0.88 3.92 1.43 -1.26 -5.12 118.68 124.42 3i4g s LEU 168 Ca 0.55 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3i4g s LEU 168 Cb -0.23 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.37 3i4g s LEU 168 CO 0.18 0.15 1.15 0.42 0.23 0.00 0.00 176.35 178.47 3i4g s THR 169 N -1.41 2.07 0.21 5.49 -4.23 -1.26 -4.84 115.64 111.67 3i4g s THR 169 Ca 0.22 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 3i4g s THR 169 Cb -0.10 -2.84 0.15 0.00 1.34 0.00 0.00 72.50 71.05 3i4g s THR 169 CO 0.14 -0.03 1.83 1.23 -0.54 0.00 0.00 174.62 177.25 3i4g h GLY 170 N -1.36 1.01 0.91 3.99 0.00 -2.00 -1.70 103.07 103.93 3i4g h GLY 170 Ca -0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 3i4g h GLY 170 CO 0.63 0.23 0.08 1.05 0.00 0.00 0.00 176.54 178.53 3i4g h GLU 171 N 0.79 0.24 -0.96 4.80 -0.00 -1.99 -2.59 114.58 114.88 3i4g h GLU 171 Ca 0.29 -0.04 0.01 0.00 -0.00 0.00 0.00 59.36 59.63 3i4g h GLU 171 Cb 0.09 -0.04 -0.05 0.00 -0.00 0.00 0.00 28.75 28.75 3i4g h GLU 171 CO -0.14 0.28 0.64 0.93 -0.00 0.00 0.00 179.01 180.72 3i4g h GLU 172 N 0.15 1.26 0.00 1.06 5.08 -1.88 -1.51 114.58 118.74 3i4g h GLU 172 Ca 0.06 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3i4g h GLU 172 Cb 0.12 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3i4g h GLU 172 CO -0.01 0.84 -0.03 0.00 -1.00 0.00 0.00 179.01 178.80 3i4g h ALA 173 N 1.40 1.77 -0.02 3.43 0.00 -1.08 -1.99 119.26 122.77 3i4g h ALA 173 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i4g h ALA 173 Cb -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i4g h ALA 173 CO -0.08 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.31 3i4g n ASN 174 N -4.25 0.52 -0.04 0.00 3.02 -0.57 -3.84 115.26 110.10 3i4g n ASN 174 Ca -0.03 -1.25 0.01 0.00 -0.03 0.00 0.00 54.58 53.29 3i4g n ASN 174 Cb 0.12 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 3i4g n ASN 174 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i4g n ASN 175 N -0.56 1.15 -4.73 6.41 3.02 -0.76 -4.14 115.26 115.65 3i4g n ASN 175 Ca 0.21 -1.73 -0.32 0.00 -0.03 0.00 0.00 54.58 52.71 3i4g n ASN 175 Cb 0.18 -0.05 0.11 0.00 -0.61 0.00 0.00 39.78 39.41 3i4g n ASN 175 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3i4g s VAL 176 N -0.73 2.69 0.29 2.41 -7.23 -1.17 -4.94 120.40 111.72 3i4g s VAL 176 Ca 0.03 0.26 0.08 0.00 -1.81 0.00 0.00 61.98 60.54 3i4g s VAL 176 Cb 0.03 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3i4g s VAL 176 CO 0.00 -0.26 0.17 0.42 -0.31 0.00 0.00 175.10 175.13 3i4g s THR 177 N -2.54 3.77 0.40 5.32 -4.23 -1.26 -4.67 115.64 112.43 3i4g s THR 177 Ca 0.67 -1.55 -0.23 0.00 -1.18 0.00 0.00 61.69 59.40 3i4g s THR 177 Cb -0.22 -3.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 3i4g s THR 177 CO 0.52 -0.28 1.00 -0.54 -0.54 0.00 0.00 174.62 174.78 3i4g s LYS 178 N -3.85 4.21 -0.04 3.99 1.02 -1.26 -3.92 119.74 119.89 3i4g s LYS 178 Ca 0.35 1.35 0.02 0.00 0.02 0.00 0.00 55.97 57.72 3i4g s LYS 178 Cb -0.06 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3i4g s LYS 178 CO 0.24 -0.07 -0.09 0.99 -0.92 0.00 0.00 175.35 175.50 3i4g s THR 179 N -1.83 3.52 0.74 2.17 2.01 0.12 -4.88 115.64 117.49 3i4g s THR 179 Ca 0.59 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 3i4g s THR 179 Cb -0.17 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 69.92 3i4g s THR 179 CO 0.22 0.52 1.15 -0.94 -0.69 0.00 0.00 174.62 174.87 3i4g s SER 180 N -1.03 4.39 0.23 3.53 1.04 -1.26 -2.14 113.70 118.46 3i4g s SER 180 Ca 0.14 2.13 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 3i4g s SER 180 Cb -0.11 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.80 3i4g s SER 180 CO 0.03 -2.12 1.78 -0.61 0.98 0.00 0.00 173.24 173.30 3i4g h GLN 181 N -0.51 0.60 -0.73 4.02 4.15 -1.91 -0.37 115.11 120.36 3i4g h GLN 181 Ca -0.46 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3i4g h GLN 181 Cb 1.27 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 3i4g h GLN 181 CO 0.50 0.40 0.43 0.00 -1.93 0.00 0.00 178.83 178.23 3i4g h ALA 182 N 1.44 0.93 -0.31 3.38 0.00 -1.91 -0.01 119.26 122.78 3i4g h ALA 182 Ca 0.36 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3i4g h ALA 182 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i4g h ALA 182 CO -0.27 0.42 -0.36 -0.44 0.00 0.00 0.00 179.25 178.60 3i4g h ASP 183 N 1.00 0.73 -0.39 0.00 3.32 -1.75 -1.67 116.42 117.65 3i4g h ASP 183 Ca 0.26 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3i4g h ASP 183 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3i4g h ASP 183 CO -0.05 1.02 0.08 0.40 -1.72 0.00 0.00 179.24 178.97 3i4g h ILE 184 N 0.58 1.23 -0.64 0.35 2.04 -0.61 -1.83 117.51 118.64 3i4g h ILE 184 Ca 0.06 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 3i4g h ILE 184 Cb 0.88 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3i4g h ILE 184 CO 0.08 0.28 0.15 -0.07 0.00 0.00 0.00 178.15 178.59 3i4g h LEU 185 N 0.49 0.94 -0.74 1.44 3.38 -0.88 0.92 115.31 120.86 3i4g h LEU 185 Ca 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3i4g h LEU 185 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3i4g h LEU 185 CO 0.00 0.91 0.43 0.11 0.09 0.00 0.00 178.44 179.99 3i4g h LYS 186 N 0.95 1.01 -0.65 1.13 1.57 -1.17 -0.58 116.57 118.84 3i4g h LYS 186 Ca 0.20 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3i4g h LYS 186 Cb 0.34 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3i4g h LYS 186 CO 0.00 0.73 0.28 2.35 -0.57 0.00 0.00 179.45 182.24 3i4g h TRP 187 N 1.01 0.97 -0.89 -1.35 7.01 -0.80 -2.57 115.95 119.34 3i4g h TRP 187 Ca 0.26 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 3i4g h TRP 187 Cb -0.01 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 26.71 3i4g h TRP 187 CO -0.01 0.75 0.51 0.00 -2.79 0.00 0.00 178.44 176.90 3i4g h VAL 189 N 1.23 0.88 -0.30 0.00 2.07 -0.87 0.62 116.25 119.88 3i4g h VAL 189 Ca 0.32 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 3i4g h VAL 189 Cb -0.01 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3i4g h VAL 189 CO -0.05 0.03 0.18 0.74 0.02 0.00 0.00 177.57 178.48 3i4g h THR 190 N 0.18 1.11 -0.28 2.57 2.02 -1.00 -1.14 112.91 116.38 3i4g h THR 190 Ca 0.13 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 3i4g h THR 190 Cb 0.12 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3i4g h THR 190 CO -0.16 0.11 -0.00 -0.33 0.37 0.00 0.00 175.52 175.51 3i4g h GLU 191 N 0.38 0.50 -0.31 6.66 4.39 -0.73 -1.37 114.58 124.10 3i4g h GLU 191 Ca 0.11 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 3i4g h GLU 191 Cb 0.03 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3i4g h GLU 191 CO -0.02 0.66 -0.17 0.74 -1.16 0.00 0.00 179.01 179.06 3i4g h PHE 192 N 0.28 0.62 -0.27 4.33 0.04 -0.83 0.18 116.94 121.29 3i4g h PHE 192 Ca 0.08 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 3i4g h PHE 192 Cb 0.43 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3i4g h PHE 192 CO 0.04 0.70 0.05 1.15 -0.60 0.00 0.00 178.31 179.65 3i4g h THR 193 N 0.51 1.23 -0.62 -1.55 2.02 -1.09 0.10 112.91 113.51 3i4g h THR 193 Ca 0.09 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 3i4g h THR 193 Cb 0.58 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3i4g h THR 193 CO 0.04 0.25 0.08 0.00 0.37 0.00 0.00 175.52 176.25 3i4g h ALA 194 N 0.87 0.83 -0.07 6.16 0.00 -1.10 -2.41 119.26 123.54 3i4g h ALA 194 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3i4g h ALA 194 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i4g h ALA 194 CO 0.00 0.61 0.03 0.00 0.00 0.00 0.00 179.25 179.89 3i4g h ALA 195 N 1.02 0.09 -0.80 0.00 0.00 -0.88 -3.03 119.26 115.66 3i4g h ALA 195 Ca 0.19 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3i4g h ALA 195 Cb 0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 3i4g h ALA 195 CO 0.02 -0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.34 3i4g h ALA 196 N 0.87 1.16 -0.59 0.00 0.00 -0.84 -1.51 119.26 118.35 3i4g h ALA 196 Ca 0.02 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3i4g h ALA 196 Cb 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3i4g h ALA 196 CO -0.00 -0.07 0.40 0.00 0.00 0.00 0.00 179.25 179.58 3i4g h ALA 197 N 1.51 2.07 -0.33 0.00 0.00 -1.31 -2.81 119.26 118.39 3i4g h ALA 197 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3i4g h ALA 197 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i4g h ALA 197 CO -0.33 -0.21 0.00 -0.25 0.00 0.00 0.00 179.25 178.46 3i4g n ASP 198 N -4.46 3.10 -4.90 0.00 8.00 -0.63 -4.96 116.55 112.68 3i4g n ASP 198 Ca 0.10 -2.17 -0.33 0.00 0.71 0.00 0.00 54.79 53.09 3i4g n ASP 198 Cb 0.40 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3i4g n ASP 198 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i4g s LEU 199 N -1.31 4.37 0.54 0.64 1.43 -0.83 -4.32 118.68 119.20 3i4g s LEU 199 Ca 0.26 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.52 3i4g s LEU 199 Cb 0.16 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3i4g s LEU 199 CO 0.15 0.25 1.23 -2.16 0.23 0.00 0.00 176.35 176.05 3i4g s PRO 200 N -1.97 3.23 0.71 1.29 0.05 -1.26 -4.09 135.00 132.97 3i4g s PRO 200 Ca 0.28 1.91 -0.15 0.00 0.05 0.00 0.00 61.00 63.09 3i4g s PRO 200 Cb -0.13 -2.14 0.03 0.00 0.05 0.00 0.00 34.50 32.32 3i4g s PRO 200 CO 0.19 -1.02 1.16 -0.98 0.05 0.00 0.00 177.00 176.40 3i4g s ARG 201 N -3.06 2.35 0.26 4.56 1.70 -1.26 -0.71 118.95 122.79 3i4g s ARG 201 Ca 0.72 1.58 -0.01 0.00 -0.47 0.00 0.00 55.73 57.55 3i4g s ARG 201 Cb -0.32 -1.88 0.55 0.00 -0.57 0.00 0.00 34.95 32.73 3i4g s ARG 201 CO 0.37 -1.64 1.73 0.35 -1.08 0.00 0.00 175.30 175.03 3i4g h PHE 202 N -0.28 0.61 0.00 5.89 3.04 -1.94 -0.51 116.94 123.76 3i4g h PHE 202 Ca -0.47 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.52 3i4g h PHE 202 Cb 1.27 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.63 3i4g h PHE 202 CO 0.51 0.07 -0.01 0.66 -2.02 0.00 0.00 178.31 177.51 3i4g h SER 203 N 0.48 0.00 -0.02 0.41 4.64 -1.91 -2.03 113.55 115.13 3i4g h SER 203 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3i4g h SER 203 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3i4g h SER 203 CO -0.43 0.01 -0.00 0.00 -0.87 0.00 0.00 176.83 175.54 3i4g n ALA 204 N -2.10 2.56 -2.57 5.18 0.00 -0.20 -4.85 120.51 118.52 3i4g n ALA 204 Ca -0.01 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 3i4g n ALA 204 Cb 0.19 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 3i4g n ALA 204 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4g s ILE 205 N -2.00 4.49 0.90 0.00 -1.09 -0.76 -4.96 121.20 117.77 3i4g s ILE 205 Ca 0.36 0.65 -0.12 0.00 -2.23 0.00 0.00 60.65 59.31 3i4g s ILE 205 Cb 0.21 -4.43 0.13 0.00 -1.58 0.00 0.00 42.46 36.79 3i4g s ILE 205 CO 0.33 -0.85 1.14 -2.16 -1.23 0.00 0.00 174.94 172.17 3i4g s PRO 206 N 3.70 1.24 0.40 2.79 0.04 -1.26 -4.90 135.00 137.00 3i4g s PRO 206 Ca 0.35 0.30 0.12 0.00 0.04 0.00 0.00 61.00 61.81 3i4g s PRO 206 Cb -0.11 -1.85 0.94 0.00 0.04 0.00 0.00 34.50 33.52 3i4g s PRO 206 CO 0.25 -2.13 1.92 0.00 0.04 0.00 0.00 177.00 177.08 3i4g h ALA 207 N -1.45 1.96 0.00 8.56 0.00 -1.97 -1.09 119.26 125.27 3i4g h ALA 207 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i4g h ALA 207 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i4g h ALA 207 CO 0.62 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3i4g n GLY 208 N -1.48 -1.23 1.28 0.00 0.00 -1.26 -2.02 105.19 100.48 3i4g n GLY 208 Ca 0.14 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.35 3i4g n GLY 208 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4g n GLU 209 N -2.27 3.52 -1.64 1.61 1.02 -0.41 -5.01 120.64 117.45 3i4g n GLU 209 Ca 0.02 -2.77 -0.49 0.00 -0.02 0.00 0.00 57.16 53.90 3i4g n GLU 209 Cb 0.20 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 29.76 3i4g n GLU 209 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4g n ALA 210 N 0.55 0.47 0.00 0.62 0.00 -0.85 -0.94 120.51 120.35 3i4g n ALA 210 Ca 0.22 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3i4g n ALA 210 Cb 0.85 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3i4g n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4g n GLY 211 N 3.18 2.94 3.78 0.00 0.00 -1.26 -4.99 105.19 108.83 3i4g n GLY 211 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3i4g n GLY 211 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4g s ARG 212 N -0.49 3.69 0.05 1.61 1.81 -0.12 -4.81 118.95 120.70 3i4g s ARG 212 Ca 0.00 1.67 -0.31 0.00 -1.72 0.00 0.00 55.73 55.37 3i4g s ARG 212 Cb 0.00 -2.28 -0.06 0.00 -0.45 0.00 0.00 34.95 32.16 3i4g s ARG 212 CO 0.00 -0.58 1.32 0.00 -0.68 0.00 0.00 175.30 175.36 3i4g s ALA 213 N -1.66 3.52 0.43 2.13 0.00 -1.26 -4.99 121.76 119.93 3i4g s ALA 213 Ca 0.66 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.63 3i4g s ALA 213 Cb -0.26 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 3i4g s ALA 213 CO 0.30 -0.66 0.46 0.00 0.00 0.00 0.00 175.76 175.86 3i4g h LYS 215 N 0.86 0.02 -0.04 0.00 3.64 -1.06 -0.85 116.57 119.13 3i4g h LYS 215 Ca -0.40 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3i4g h LYS 215 Cb 1.27 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3i4g h LYS 215 CO 0.53 0.01 -0.12 1.96 -2.27 0.00 0.00 179.45 179.56 3i4g h GLN 216 N 0.02 0.05 -0.29 1.90 7.50 -1.92 -0.83 115.11 121.55 3i4g h GLN 216 Ca 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.39 3i4g h GLN 216 Cb 0.41 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 3i4g h GLN 216 CO -0.54 0.18 0.10 0.00 -1.50 0.00 0.00 178.83 177.07 3i4g h ALA 217 N 1.82 0.38 -0.71 3.87 0.00 -1.46 -0.64 119.26 122.52 3i4g h ALA 217 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3i4g h ALA 217 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i4g h ALA 217 CO 0.02 0.00 0.22 0.00 0.00 0.00 0.00 179.25 179.49 3i4g h ALA 218 N 0.93 0.93 -0.25 0.00 0.00 -1.07 -2.04 119.26 117.76 3i4g h ALA 218 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3i4g h ALA 218 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i4g h ALA 218 CO -0.00 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.71 3i4g h LEU 219 N 1.05 0.38 -0.35 0.00 3.38 -1.04 -0.01 115.31 118.71 3i4g h LEU 219 Ca 0.23 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3i4g h LEU 219 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3i4g h LEU 219 CO -0.01 0.50 -0.29 0.00 0.09 0.00 0.00 178.44 178.73 3i4g h ALA 220 N 1.55 0.51 -0.20 1.53 0.00 -0.78 -0.02 119.26 121.85 3i4g h ALA 220 Ca 0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3i4g h ALA 220 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i4g h ALA 220 CO 0.02 0.53 -0.29 0.74 0.00 0.00 0.00 179.25 180.25 3i4g h PHE 221 N 0.60 0.43 -0.12 0.00 0.04 -1.20 -0.83 116.94 115.87 3i4g h PHE 221 Ca 0.06 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.76 3i4g h PHE 221 Cb 0.87 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 3i4g h PHE 221 CO 0.07 0.64 -0.02 1.25 -0.60 0.00 0.00 178.31 179.64 3i4g h LEU 222 N 0.33 -0.09 -0.61 1.54 5.85 -0.76 0.18 115.31 121.75 3i4g h LEU 222 Ca 0.05 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3i4g h LEU 222 Cb 0.68 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3i4g h LEU 222 CO 0.05 -0.03 0.35 1.23 -0.34 0.00 0.00 178.44 179.70 3i4g h GLY 223 N 0.01 0.88 1.23 3.75 0.00 -0.65 -0.72 103.07 107.57 3i4g h GLY 223 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3i4g h GLY 223 CO -0.12 0.19 0.21 3.21 0.00 0.00 0.00 176.54 180.02 3i4g h ARG 224 N 0.67 0.97 -0.41 4.80 3.08 -0.90 -2.67 114.38 119.93 3i4g h ARG 224 Ca 0.26 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3i4g h ARG 224 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3i4g h ARG 224 CO -0.14 0.83 0.26 1.15 -1.07 0.00 0.00 179.97 181.00 3i4g h THR 225 N 0.94 1.12 0.00 2.04 2.02 -0.45 -2.01 112.91 116.57 3i4g h THR 225 Ca 0.21 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3i4g h THR 225 Cb 0.26 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3i4g h THR 225 CO -0.01 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3i4g n LEU 228 N 1.33 0.00 0.01 0.00 4.77 -0.76 -0.85 117.00 121.50 3i4g n LEU 228 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3i4g n LEU 228 Cb 0.08 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.62 3i4g n LEU 228 CO 0.00 0.00 0.83 0.00 -1.33 0.00 0.00 177.39 176.89 3i4g n GLN 229 N 0.00 0.01 -2.11 3.23 6.02 -0.77 -4.89 117.38 118.87 3i4g n GLN 229 Ca 0.00 0.15 -0.17 0.00 -0.01 0.00 0.00 57.00 56.97 3i4g n GLN 229 Cb 0.00 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 3i4g n GLN 229 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i4g n LYS 230 N -1.54 -1.32 -2.98 -1.09 4.01 -0.69 -4.91 118.16 109.65 3i4g n LYS 230 Ca 0.05 0.90 -0.44 0.00 -0.51 0.00 0.00 58.31 58.31 3i4g n LYS 230 Cb 0.25 -5.29 0.00 0.00 -0.51 0.00 0.00 35.03 29.48 3i4g n LYS 230 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3i4g n ASP 231 N -1.13 5.73 -0.00 4.39 -0.08 -0.03 -4.81 116.55 120.62 3i4g n ASP 231 Ca -0.19 -3.18 -0.00 0.00 -1.51 0.00 0.00 54.79 49.91 3i4g n ASP 231 Cb 0.63 -1.39 0.29 0.00 2.34 0.00 0.00 41.12 42.99 3i4g n ASP 231 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3i4g h TRP 232 N 6.13 0.55 -0.35 -0.67 4.06 -1.89 -1.39 115.95 122.39 3i4g h TRP 232 Ca 0.25 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.13 3i4g h TRP 232 Cb 0.74 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 3i4g h TRP 232 CO 0.99 0.54 0.16 -0.22 -3.56 0.00 0.00 178.44 176.35 3i4g h LYS 233 N 0.51 0.51 -0.16 0.49 3.64 -1.87 0.23 116.57 119.92 3i4g h LYS 233 Ca 0.11 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3i4g h LYS 233 Cb 0.33 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3i4g h LYS 233 CO 0.01 0.48 -0.41 0.77 -2.27 0.00 0.00 179.45 178.02 3i4g h SER 234 N 0.42 0.39 -0.34 4.20 0.02 -1.87 -2.45 113.55 113.92 3i4g h SER 234 Ca 0.12 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3i4g h SER 234 Cb 0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3i4g h SER 234 CO -0.01 0.77 -0.07 1.23 -1.14 0.00 0.00 176.83 177.60 3i4g h GLY 235 N 1.17 0.70 0.75 -3.77 0.00 -0.97 -1.34 103.07 99.59 3i4g h GLY 235 Ca 0.03 -0.57 0.05 0.00 0.00 0.00 0.00 47.33 46.84 3i4g h GLY 235 CO 0.07 0.52 0.48 0.00 0.00 0.00 0.00 176.54 177.61 3i4g h ALA 236 N 0.81 1.07 -0.53 3.60 0.00 -0.82 -1.92 119.26 121.47 3i4g h ALA 236 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i4g h ALA 236 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i4g h ALA 236 CO 0.03 0.22 0.22 -0.22 0.00 0.00 0.00 179.25 179.50 3i4g h LYS 237 N 0.89 0.79 -0.14 0.00 3.64 -1.14 0.10 116.57 120.71 3i4g h LYS 237 Ca 0.34 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3i4g h LYS 237 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3i4g h LYS 237 CO -0.16 0.69 0.10 0.00 -2.27 0.00 0.00 179.45 177.80 3i4g h ALA 238 N 1.07 0.18 -0.50 5.00 0.00 -0.84 0.25 119.26 124.42 3i4g h ALA 238 Ca 0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3i4g h ALA 238 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i4g h ALA 238 CO -0.02 -0.33 -0.11 0.74 0.00 0.00 0.00 179.25 179.53 3i4g h PHE 239 N 0.20 1.08 -0.81 0.00 0.04 -1.25 -2.76 116.94 113.45 3i4g h PHE 239 Ca 0.05 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 3i4g h PHE 239 Cb -0.02 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.82 3i4g h PHE 239 CO -0.07 1.03 0.50 1.25 -0.60 0.00 0.00 178.31 180.42 3i4g h HIS 240 N 0.83 1.04 -0.78 -0.55 2.76 -0.60 -2.14 115.15 115.72 3i4g h HIS 240 Ca 0.13 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 3i4g h HIS 240 Cb 0.67 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 3i4g h HIS 240 CO 0.05 0.68 0.51 -0.44 -1.30 0.00 0.00 177.93 177.43 3i4g h ASP 241 N 1.10 0.77 0.00 3.26 3.32 -0.66 0.22 116.42 124.44 3i4g h ASP 241 Ca 0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3i4g h ASP 241 Cb -0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3i4g h ASP 241 CO -0.06 0.51 0.00 -0.38 -1.72 0.00 0.00 179.24 177.59 3i4g n ILE 242 N -4.47 0.04 0.00 0.35 5.41 -0.81 -1.83 119.36 118.05 3i4g n ILE 242 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3i4g n ILE 242 Cb 0.18 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 3i4g n ILE 242 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i4g n GLU 244 N 0.53 0.00 -0.11 0.38 1.02 0.79 -3.28 120.64 119.96 3i4g n GLU 244 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3i4g n GLU 244 Cb 0.06 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 31.90 3i4g n GLU 244 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3i4g h LEU 245 N 0.00 0.52 0.00 -4.62 3.38 -1.61 -3.46 115.31 109.52 3i4g h LEU 245 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i4g h LEU 245 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3i4g h LEU 245 CO 0.00 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.48 3i4g n GLY 246 N -1.48 0.47 0.08 0.83 0.00 -1.21 -4.91 105.19 98.97 3i4g n GLY 246 Ca 0.09 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3i4g n GLY 246 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i4g h ASP 247 N 0.00 0.00 -2.70 1.61 3.32 -1.89 -3.47 116.42 113.28 3i4g h ASP 247 Ca 0.00 -0.17 -0.61 0.00 0.02 0.00 0.00 57.03 56.26 3i4g h ASP 247 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 3i4g h ASP 247 CO 0.00 0.09 -0.74 0.20 -1.72 0.00 0.00 179.24 177.07 3i4g s ASN 248 N -4.39 3.98 0.08 6.45 -0.87 -1.26 -4.81 114.94 114.13 3i4g s ASN 248 Ca 0.06 -0.76 -0.26 0.00 -1.57 0.00 0.00 52.86 50.33 3i4g s ASN 248 Cb 0.13 -0.55 0.07 0.00 -0.02 0.00 0.00 41.25 40.88 3i4g s ASN 248 CO 0.71 0.07 0.63 0.00 -2.57 0.00 0.00 177.10 175.94 3i4g s ALA 249 N -2.01 -1.65 0.02 0.60 0.00 -0.68 -5.01 121.76 113.03 3i4g s ALA 249 Ca 0.26 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 3i4g s ALA 249 Cb -0.07 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 3i4g s ALA 249 CO 0.15 -0.62 1.38 0.42 0.00 0.00 0.00 175.76 177.09 3i4g s ILE 250 N -2.82 3.69 0.32 0.00 -1.09 -1.26 -3.03 121.20 117.01 3i4g s ILE 250 Ca -0.03 1.11 -0.28 0.00 -2.23 0.00 0.00 60.65 59.22 3i4g s ILE 250 Cb -0.01 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 3i4g s ILE 250 CO -0.05 0.02 1.08 0.21 -1.23 0.00 0.00 174.94 174.97 3i4g s ASN 251 N 1.71 7.09 0.27 3.58 2.47 -1.26 -4.96 114.94 123.84 3i4g s ASN 251 Ca 0.63 2.19 -0.04 0.00 0.42 0.00 0.00 52.86 56.07 3i4g s ASN 251 Cb -0.32 -2.61 0.34 0.00 -1.45 0.00 0.00 41.25 37.21 3i4g s ASN 251 CO 0.27 -0.27 1.93 0.00 -3.72 0.00 0.00 177.10 175.31 3i4g h ALA 252 N 3.37 1.31 -2.89 1.71 0.00 -1.97 -3.41 119.26 117.38 3i4g h ALA 252 Ca -0.47 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.71 3i4g h ALA 252 Cb 1.21 -0.36 -0.18 0.00 0.00 0.00 0.00 17.79 18.47 3i4g h ALA 252 CO 0.65 0.61 -0.53 1.21 0.00 0.00 0.00 179.25 181.19 3i4g s ASN 253 N -6.25 5.90 -0.04 0.00 3.84 -1.26 -1.88 114.94 115.25 3i4g s ASN 253 Ca -0.12 -0.08 -0.26 0.00 0.21 0.00 0.00 52.86 52.61 3i4g s ASN 253 Cb 0.18 -2.09 -0.20 0.00 -0.55 0.00 0.00 41.25 38.58 3i4g s ASN 253 CO 0.81 -0.07 1.17 0.22 -2.79 0.00 0.00 177.10 176.44 3i4g h TYR 254 N 8.36 -0.04 -0.95 0.43 3.20 -1.92 -3.30 116.97 122.76 3i4g h TYR 254 Ca -0.35 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.61 3i4g h TYR 254 Cb 1.18 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 3i4g h TYR 254 CO 0.74 0.48 0.61 1.96 -1.64 0.00 0.00 178.16 180.31 3i4g h GLN 255 N -0.60 0.98 0.00 1.82 4.20 -1.94 -2.29 115.11 117.29 3i4g h GLN 255 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3i4g h GLN 255 Cb 0.54 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3i4g h GLN 255 CO 0.01 0.65 0.00 0.39 -0.67 0.00 0.00 178.83 179.20 3i4g n GLU 256 N -4.53 0.13 0.31 1.46 1.02 -1.24 -1.86 120.64 115.92 3i4g n GLU 256 Ca 0.16 0.33 0.18 0.00 -0.02 0.00 0.00 57.16 57.82 3i4g n GLU 256 Cb 0.27 -1.73 1.01 0.00 -0.02 0.00 0.00 31.44 30.97 3i4g n GLU 256 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3i4g h LEU 257 N 0.00 0.00 -3.06 -4.62 3.38 -1.50 -3.13 115.31 106.37 3i4g h LEU 257 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i4g h LEU 257 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i4g h LEU 257 CO 0.00 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.04 3i4g n PHE 258 N -3.43 0.37 -4.53 1.13 3.72 -0.78 -4.59 117.46 109.35 3i4g n PHE 258 Ca -0.03 -0.79 -0.32 0.00 -0.05 0.00 0.00 57.45 56.27 3i4g n PHE 258 Cb 0.12 -0.16 -0.11 0.00 -0.94 0.00 0.00 39.48 38.38 3i4g n PHE 258 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3i4g s TYR 259 N -2.21 2.76 0.38 1.38 2.02 -1.19 -4.07 117.35 116.41 3i4g s TYR 259 Ca 0.28 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 56.91 3i4g s TYR 259 Cb 0.22 -1.55 0.75 0.00 -0.40 0.00 0.00 41.96 40.98 3i4g s TYR 259 CO 0.06 0.33 1.96 -1.00 -1.57 0.00 0.00 175.55 175.33 3i4g h PRO 260 N 4.50 0.48 0.00 -1.71 0.13 -1.85 0.18 132.00 133.73 3i4g h PRO 260 Ca -0.48 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 3i4g h PRO 260 Cb 1.16 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3i4g h PRO 260 CO 0.51 0.44 -0.36 0.66 -0.23 0.00 0.00 178.00 179.02 3i4g h SER 261 N 0.48 0.00 0.00 1.44 4.64 -1.96 -3.35 113.55 114.79 3i4g h SER 261 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3i4g h SER 261 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3i4g h SER 261 CO -0.01 0.36 -0.34 0.35 -0.87 0.00 0.00 176.83 176.33 3i4g n THR 262 N -3.36 0.00 0.35 2.95 -2.24 -1.15 -4.78 114.28 106.06 3i4g n THR 262 Ca 0.01 -0.33 0.13 0.00 -2.27 0.00 0.00 64.05 61.59 3i4g n THR 262 Cb 0.57 0.83 0.56 0.00 -2.10 0.00 0.00 70.33 70.19 3i4g n THR 262 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3i4g h GLY 263 N 0.00 0.00 -1.26 3.38 0.00 -0.60 -2.52 103.07 102.07 3i4g h GLY 263 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i4g h GLY 263 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3i4g n THR 264 N -2.45 0.29 0.22 4.70 -2.24 -1.26 -4.62 114.28 108.92 3i4g n THR 264 Ca 0.01 -0.64 0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3i4g n THR 264 Cb 0.22 1.07 0.27 0.00 -2.10 0.00 0.00 70.33 69.79 3i4g n THR 264 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i4g n SER 265 N 0.78 3.32 -4.69 3.42 7.64 -0.95 -4.97 113.62 118.18 3i4g n SER 265 Ca 0.10 -1.97 -0.28 0.00 1.01 0.00 0.00 58.87 57.73 3i4g n SER 265 Cb 0.38 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 3i4g n SER 265 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i4g s ASN 266 N -1.28 4.09 -0.06 6.43 2.20 -1.26 -5.05 114.94 120.01 3i4g s ASN 266 Ca 0.41 -1.35 0.19 0.00 -0.94 0.00 0.00 52.86 51.16 3i4g s ASN 266 Cb 0.22 -0.21 0.62 0.00 -2.00 0.00 0.00 41.25 39.89 3i4g s ASN 266 CO 0.30 -0.58 1.53 0.29 -2.94 0.00 0.00 177.10 175.70 3i4g n LYS 267 N -1.12 3.20 -0.13 3.55 5.02 -1.26 -4.49 118.16 122.93 3i4g n LYS 267 Ca -0.07 -2.67 -0.17 0.00 -2.02 0.00 0.00 58.31 53.38 3i4g n LYS 267 Cb 0.66 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 3i4g n LYS 267 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i4g n GLU 268 N 1.12 0.65 -2.57 1.97 2.13 -1.17 -1.69 120.64 121.07 3i4g n GLU 268 Ca 0.23 0.14 -0.41 0.00 0.66 0.00 0.00 57.16 57.77 3i4g n GLU 268 Cb 0.72 -1.51 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 3i4g n GLU 268 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3i4g s ASN 269 N -6.42 6.17 -0.07 4.31 0.01 -1.26 -0.43 114.94 117.25 3i4g s ASN 269 Ca -0.33 -0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 51.12 3i4g s ASN 269 Cb 0.09 -2.55 -0.28 0.00 0.41 0.00 0.00 41.25 38.92 3i4g s ASN 269 CO 0.61 -1.80 0.89 0.40 -1.51 0.00 0.00 177.10 175.69 3i4g h ILE 270 N 6.03 1.61 -3.76 0.60 2.04 -1.37 -3.46 117.51 119.20 3i4g h ILE 270 Ca -0.28 -2.36 -0.35 0.00 1.00 0.00 0.00 64.86 62.87 3i4g h ILE 270 Cb 1.05 3.16 -0.30 0.00 -0.74 0.00 0.00 36.82 39.99 3i4g h ILE 270 CO 1.27 0.65 -0.76 0.12 0.00 0.00 0.00 178.15 179.43 3i4g s PHE 271 N -2.52 0.53 0.23 1.37 5.36 -1.03 -4.74 117.98 117.18 3i4g s PHE 271 Ca -0.16 -0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 55.51 3i4g s PHE 271 Cb -0.00 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.30 3i4g s PHE 271 CO 0.77 -0.06 0.62 1.52 -1.46 0.00 0.00 175.22 176.61 3i4g s TYR 272 N 0.24 -0.20 -0.23 10.12 -0.85 -1.26 -0.28 117.35 124.90 3i4g s TYR 272 Ca -0.03 -0.17 -0.05 0.00 -0.52 0.00 0.00 57.07 56.31 3i4g s TYR 272 Cb -0.06 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.82 3i4g s TYR 272 CO -0.00 -1.05 -0.02 0.42 -1.52 0.00 0.00 175.55 173.38 3i4g s ILE 273 N -3.88 3.55 -0.20 -3.49 -1.09 -0.58 -4.72 121.20 110.79 3i4g s ILE 273 Ca 0.09 -0.46 -0.09 0.00 -2.23 0.00 0.00 60.65 57.96 3i4g s ILE 273 Cb -0.03 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 3i4g s ILE 273 CO 0.00 0.39 0.11 -1.58 -1.23 0.00 0.00 174.94 172.63 3i4g s GLN 274 N 1.50 4.12 -0.17 2.79 0.74 -1.26 -1.30 119.66 126.08 3i4g s GLN 274 Ca 0.06 -0.26 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 3i4g s GLN 274 Cb -0.15 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 3i4g s GLN 274 CO -0.02 0.27 -0.03 0.71 -0.55 0.00 0.00 175.29 175.68 3i4g s TYR 275 N 0.41 3.03 -0.16 1.67 1.51 0.13 -4.98 117.35 118.96 3i4g s TYR 275 Ca 0.06 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3i4g s TYR 275 Cb -0.12 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 3i4g s TYR 275 CO -0.01 -0.09 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.69 3i4g s LEU 276 N 0.54 2.57 0.57 -1.29 1.43 -1.22 -1.53 118.68 119.75 3i4g s LEU 276 Ca -0.03 -0.43 0.26 0.00 -1.03 0.00 0.00 54.13 52.90 3i4g s LEU 276 Cb -0.14 -1.60 1.61 0.00 0.03 0.00 0.00 46.19 46.09 3i4g s LEU 276 CO 0.03 0.08 2.17 1.05 0.23 0.00 0.00 176.35 179.91 3i4g h GLU 277 N 7.32 0.00 -0.00 1.70 4.11 -1.84 -0.29 114.58 125.58 3i4g h GLU 277 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3i4g h GLU 277 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3i4g h GLU 277 CO 0.58 0.00 -0.05 0.09 0.07 0.00 0.00 179.01 179.69 3i4g n ASN 278 N -4.05 0.22 0.00 3.06 3.02 -1.26 -4.49 115.26 111.76 3i4g n ASN 278 Ca -0.01 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3i4g n ASN 278 Cb 0.18 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3i4g n ASN 278 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3i4g n TYR 279 N -1.11 0.00 -3.51 3.10 4.02 -0.13 -5.01 117.16 114.52 3i4g n TYR 279 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 3i4g n TYR 279 Cb 0.25 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.51 3i4g n TYR 279 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i4g s LEU 280 N 0.00 5.99 0.66 7.72 1.43 -1.13 -4.84 118.68 128.51 3i4g s LEU 280 Ca 0.00 -2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 50.43 3i4g s LEU 280 Cb 0.00 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3i4g s LEU 280 CO 0.00 -0.54 1.05 -0.83 0.23 0.00 0.00 176.35 176.26 3i4g s GLY 281 N 1.82 1.75 0.03 -3.19 0.00 -1.19 -3.40 107.32 103.15 3i4g s GLY 281 Ca 0.14 0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.81 3i4g s GLY 281 CO -0.05 0.42 0.50 -1.08 0.00 0.00 0.00 173.10 172.89 3i4g s THR 282 N -2.95 4.89 -2.13 0.90 -1.32 0.07 -0.79 115.64 114.31 3i4g s THR 282 Ca 0.59 1.05 0.17 0.00 -1.21 0.00 0.00 61.69 62.29 3i4g s THR 282 Cb -0.14 -3.82 0.43 0.00 -1.51 0.00 0.00 72.50 67.46 3i4g s THR 282 CO 0.51 0.55 1.40 0.61 -2.21 0.00 0.00 174.62 175.49 3i4g n GLY 283 N 1.86 1.03 0.30 6.08 0.00 -1.09 -1.23 105.19 112.14 3i4g n GLY 283 Ca -0.12 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.41 3i4g n GLY 283 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i4g h LEU 284 N 2.82 0.66 -0.42 0.99 5.85 -1.85 -2.01 115.31 121.35 3i4g h LEU 284 Ca 0.00 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3i4g h LEU 284 Cb 0.63 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3i4g h LEU 284 CO 0.00 0.39 0.24 -0.65 -0.34 0.00 0.00 178.44 178.08 3i4g h PRO 285 N 0.78 0.47 -0.89 5.25 0.11 -1.80 0.25 132.00 136.17 3i4g h PRO 285 Ca 0.38 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.56 3i4g h PRO 285 Cb 0.33 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.26 3i4g h PRO 285 CO -0.24 0.31 0.54 0.37 -0.21 0.00 0.00 178.00 178.78 3i4g h GLN 286 N 0.49 0.88 0.04 1.05 5.75 -0.59 -1.07 115.11 121.66 3i4g h GLN 286 Ca 0.17 -0.05 -0.24 0.00 -0.15 0.00 0.00 58.65 58.38 3i4g h GLN 286 Cb 0.02 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3i4g h GLN 286 CO -0.08 0.59 -1.02 0.45 -2.65 0.00 0.00 178.83 176.11 3i4g h HIS 287 N 0.91 0.57 -0.00 3.99 3.86 -0.73 -0.05 115.15 123.70 3i4g h HIS 287 Ca 0.42 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3i4g h HIS 287 Cb 0.34 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3i4g h HIS 287 CO -0.04 1.18 -0.11 0.00 0.86 0.00 0.00 177.93 179.83 3i4g n ALA 288 N -2.54 2.39 -1.25 2.45 0.00 0.81 -0.62 120.51 121.75 3i4g n ALA 288 Ca -0.07 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 3i4g n ALA 288 Cb 0.88 -0.10 0.12 0.00 0.00 0.00 0.00 19.45 20.35 3i4g n ALA 288 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i4g s LEU 289 N -1.78 2.54 0.63 0.00 1.43 -0.42 -4.54 118.68 116.54 3i4g s LEU 289 Ca 0.02 1.58 -0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3i4g s LEU 289 Cb 0.02 -4.11 0.06 0.00 0.03 0.00 0.00 46.19 42.19 3i4g s LEU 289 CO 0.10 -2.38 0.89 -0.94 0.23 0.00 0.00 176.35 174.25 3i4g s SER 290 N -3.46 4.97 0.32 2.29 1.04 -1.26 -1.01 113.70 116.59 3i4g s SER 290 Ca 0.62 0.09 0.03 0.00 0.48 0.00 0.00 55.95 57.18 3i4g s SER 290 Cb -0.17 -0.82 0.63 0.00 0.10 0.00 0.00 66.02 65.76 3i4g s SER 290 CO 0.56 -1.41 1.91 0.00 0.98 0.00 0.00 173.24 175.28 3i4g h ALA 291 N -0.25 1.62 0.00 5.32 0.00 -1.82 -0.41 119.26 123.71 3i4g h ALA 291 Ca -0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3i4g h ALA 291 Cb 1.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i4g h ALA 291 CO 0.53 0.23 -0.03 1.57 0.00 0.00 0.00 179.25 181.55 3i4g h LYS 292 N 0.90 0.00 -0.30 0.00 2.10 -1.90 -1.28 116.57 116.09 3i4g h LYS 292 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3i4g h LYS 292 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3i4g h LYS 292 CO -0.15 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.08 3i4g n ASP 293 N -3.59 3.76 0.00 7.07 8.00 -0.38 -4.97 116.55 126.43 3i4g n ASP 293 Ca -0.03 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.70 3i4g n ASP 293 Cb 0.13 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3i4g n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4g n GLY 294 N -0.20 0.74 3.88 0.44 0.00 -0.48 -4.85 105.19 104.72 3i4g n GLY 294 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3i4g n GLY 294 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i4g s GLY 295 N -1.97 2.28 0.00 -0.02 0.00 -0.30 -4.83 107.32 102.48 3i4g s GLY 295 Ca 0.00 -1.57 0.21 0.00 0.00 0.00 0.00 44.72 43.36 3i4g s GLY 295 CO 0.00 -1.86 1.20 0.79 0.00 0.00 0.00 173.10 173.23 3i4g n TRP 296 N -1.66 0.12 -3.75 1.90 8.01 -0.03 -3.08 117.44 118.95 3i4g n TRP 296 Ca 0.01 -0.07 -0.26 0.00 -1.31 0.00 0.00 57.50 55.86 3i4g n TRP 296 Cb 0.64 -0.00 0.05 0.00 -2.01 0.00 0.00 31.31 29.99 3i4g n TRP 296 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3i4g n SER 297 N 1.20 -5.06 0.01 -0.99 7.64 -0.18 -4.40 113.62 111.83 3i4g n SER 297 Ca 0.13 -0.68 -0.11 0.00 1.01 0.00 0.00 58.87 59.23 3i4g n SER 297 Cb 0.53 -4.43 0.02 0.00 -1.01 0.00 0.00 64.21 59.32 3i4g n SER 297 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3i4g h LEU 298 N -2.32 0.65 -8.74 -3.43 5.85 -1.14 -3.40 115.31 102.78 3i4g h LEU 298 Ca -0.58 -0.38 -0.63 0.00 0.84 0.00 0.00 57.88 57.13 3i4g h LEU 298 Cb 1.37 -0.19 -0.13 0.00 0.37 0.00 0.00 40.66 42.08 3i4g h LEU 298 CO 0.61 1.12 0.22 -0.69 -0.34 0.00 0.00 178.44 179.37 3i4g s VAL 299 N -3.86 4.81 -0.34 1.05 1.01 -1.26 -1.83 120.40 119.98 3i4g s VAL 299 Ca -0.08 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3i4g s VAL 299 Cb 0.11 -4.16 0.10 0.00 0.00 0.00 0.00 36.38 32.43 3i4g s VAL 299 CO 0.85 -0.43 0.10 0.20 0.00 0.00 0.00 175.10 175.82 3i4g s ASN 300 N 1.87 4.33 0.59 3.32 0.02 -1.03 -5.00 114.94 119.05 3i4g s ASN 300 Ca 0.27 -2.00 -0.19 0.00 -1.02 0.00 0.00 52.86 49.91 3i4g s ASN 300 Cb -0.14 -1.24 -0.05 0.00 0.02 0.00 0.00 41.25 39.85 3i4g s ASN 300 CO 0.17 -0.38 1.09 -2.65 0.02 0.00 0.00 177.10 175.35 3i4g n PRO 301 N 4.41 1.10 -3.90 -0.60 -0.02 -1.26 -0.70 135.00 134.03 3i4g n PRO 301 Ca 0.02 0.42 -0.21 0.00 -2.02 0.00 0.00 63.50 61.71 3i4g n PRO 301 Cb 0.41 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3i4g n PRO 301 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i4g s ALA 302 N -1.44 3.87 0.27 3.55 0.00 -0.10 -4.39 121.76 123.52 3i4g s ALA 302 Ca 0.75 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3i4g s ALA 302 Cb -0.42 -1.52 0.54 0.00 0.00 0.00 0.00 23.12 21.72 3i4g s ALA 302 CO 0.47 0.16 1.80 0.00 0.00 0.00 0.00 175.76 178.20 3i4g h ALA 303 N 1.23 1.40 -0.21 0.00 0.00 -1.13 -2.04 119.26 118.53 3i4g h ALA 303 Ca -0.49 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3i4g h ALA 303 Cb 1.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i4g h ALA 303 CO 0.59 0.08 0.02 0.22 0.00 0.00 0.00 179.25 180.16 3i4g h ASP 304 N 0.82 0.26 0.04 0.00 3.58 -1.80 0.14 116.42 119.47 3i4g h ASP 304 Ca 0.48 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.90 3i4g h ASP 304 Cb 0.56 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3i4g h ASP 304 CO -0.30 0.30 -0.02 0.25 -2.88 0.00 0.00 179.24 176.59 3i4g h LEU 305 N 0.29 -0.04 -0.90 2.28 5.85 -1.54 -3.07 115.31 118.18 3i4g h LEU 305 Ca 0.07 -0.53 0.24 0.00 0.84 0.00 0.00 57.88 58.51 3i4g h LEU 305 Cb 0.16 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.06 3i4g h LEU 305 CO 0.00 0.52 0.34 0.22 -0.34 0.00 0.00 178.44 179.18 3i4g h TYR 306 N -0.63 0.54 0.00 1.25 3.20 -0.93 -0.58 116.97 119.82 3i4g h TYR 306 Ca -0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3i4g h TYR 306 Cb 0.57 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3i4g h TYR 306 CO 0.12 -0.15 0.00 0.39 -1.64 0.00 0.00 178.16 176.88 3i4g n GLU 307 N -5.14 0.07 0.07 1.82 1.02 -0.02 -3.81 120.64 114.65 3i4g n GLU 307 Ca 0.23 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.45 3i4g n GLU 307 Cb 0.72 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 3i4g n GLU 307 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i4g h SER 308 N 0.00 0.07 -3.38 1.62 0.87 -0.99 -3.41 113.55 108.33 3i4g h SER 308 Ca 0.00 -0.08 -0.53 0.00 -1.23 0.00 0.00 61.79 59.96 3i4g h SER 308 Cb 0.45 -0.02 0.07 0.00 -0.44 0.00 0.00 62.40 62.46 3i4g h SER 308 CO 0.00 1.05 0.82 -0.31 -0.53 0.00 0.00 176.83 177.86 3i4g s TYR 309 N -2.72 2.88 0.95 2.24 2.02 -1.25 -4.78 117.35 116.68 3i4g s TYR 309 Ca 0.00 0.92 -0.12 0.00 -0.37 0.00 0.00 57.07 57.50 3i4g s TYR 309 Cb 0.10 -3.94 0.16 0.00 -0.40 0.00 0.00 41.96 37.87 3i4g s TYR 309 CO 0.83 -3.11 1.09 -1.21 -1.57 0.00 0.00 175.55 171.57 3i4g s GLU 310 N -0.50 0.83 0.93 -0.62 2.02 -1.26 -4.04 118.70 116.06 3i4g s GLU 310 Ca 0.61 0.90 -0.12 0.00 0.02 0.00 0.00 54.97 56.38 3i4g s GLU 310 Cb -0.45 -1.75 0.15 0.00 0.10 0.00 0.00 34.13 32.18 3i4g s GLU 310 CO 0.46 -2.56 1.09 -0.06 0.02 0.00 0.00 175.26 174.22 3i4g s PHE 311 N -2.82 2.21 0.53 1.61 0.08 -0.12 -1.16 117.98 118.31 3i4g s PHE 311 Ca 0.65 1.19 0.19 0.00 0.12 0.00 0.00 56.93 59.07 3i4g s PHE 311 Cb -0.20 -3.19 1.33 0.00 -0.57 0.00 0.00 43.02 40.39 3i4g s PHE 311 CO 0.58 -2.59 2.13 0.87 -0.10 0.00 0.00 175.22 176.11 3i4g h LYS 312 N -1.69 0.00 -0.04 0.44 1.79 -1.46 0.37 116.57 115.98 3i4g h LYS 312 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3i4g h LYS 312 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3i4g h LYS 312 CO 0.55 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.52 3i4g n ASP 313 N -4.46 0.31 0.00 0.86 5.75 -1.26 -4.58 116.55 113.17 3i4g n ASP 313 Ca -0.01 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3i4g n ASP 313 Cb 0.19 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3i4g n ASP 313 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i4g n GLY 314 N 0.75 0.82 3.87 6.12 0.00 0.12 -4.85 105.19 112.02 3i4g n GLY 314 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3i4g n GLY 314 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4g s THR 315 N -3.22 4.76 0.48 2.61 -4.23 -1.26 -4.82 115.64 109.96 3i4g s THR 315 Ca 0.00 0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 60.96 3i4g s THR 315 Cb 0.00 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 70.02 3i4g s THR 315 CO 0.00 -0.61 1.20 -2.84 -0.54 0.00 0.00 174.62 171.83 3i4g s PRO 316 N -4.03 3.60 0.40 3.99 0.02 -1.26 -0.94 135.00 136.77 3i4g s PRO 316 Ca 0.52 1.85 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 3i4g s PRO 316 Cb -0.10 -2.34 -0.09 0.00 0.02 0.00 0.00 34.50 31.99 3i4g s PRO 316 CO 0.34 -0.70 1.25 0.12 -0.33 0.00 0.00 177.00 177.68 3i4g s PHE 317 N -1.51 2.92 -0.11 6.54 5.36 -1.26 -4.66 117.98 125.25 3i4g s PHE 317 Ca 0.66 1.47 -0.08 0.00 -0.96 0.00 0.00 56.93 58.02 3i4g s PHE 317 Cb -0.30 -3.57 0.04 0.00 -0.34 0.00 0.00 43.02 38.84 3i4g s PHE 317 CO 0.37 -1.80 0.28 0.45 -1.46 0.00 0.00 175.22 173.05 3i4g s SER 318 N -0.87 -0.30 0.59 6.13 0.15 -1.26 -5.02 113.70 113.13 3i4g s SER 318 Ca 0.57 0.57 0.36 0.00 0.70 0.00 0.00 55.95 58.15 3i4g s SER 318 Cb -0.35 0.52 1.85 0.00 -1.71 0.00 0.00 66.02 66.33 3i4g s SER 318 CO 0.45 -0.13 2.18 1.88 1.20 0.00 0.00 173.24 178.83 3i4g h TYR 319 N 6.39 0.00 -0.00 3.44 0.05 -1.98 -2.65 116.97 122.20 3i4g h TYR 319 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 3i4g h TYR 319 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3i4g h TYR 319 CO 0.37 0.03 -0.09 -0.25 -1.05 0.00 0.00 178.16 177.18 3i4g n ASP 320 N -3.29 0.49 -4.77 3.88 8.00 -1.26 -4.81 116.55 114.79 3i4g n ASP 320 Ca -0.02 -0.67 -0.40 0.00 0.71 0.00 0.00 54.79 54.42 3i4g n ASP 320 Cb 0.18 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3i4g n ASP 320 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i4g s ASP 321 N -2.40 7.34 0.35 -2.24 -1.08 -1.00 -4.95 116.67 112.69 3i4g s ASP 321 Ca 0.31 1.59 0.25 0.00 -0.52 0.00 0.00 52.55 54.19 3i4g s ASP 321 Cb 0.20 -2.49 1.26 0.00 -1.46 0.00 0.00 42.92 40.43 3i4g s ASP 321 CO 0.45 0.14 1.77 1.55 0.52 0.00 0.00 175.17 179.61 3i4g h PRO 322 N 4.77 0.00 0.00 4.34 0.13 -1.89 -1.42 132.00 137.93 3i4g h PRO 322 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i4g h PRO 322 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i4g h PRO 322 CO 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 3i4g h ARG 323 N 0.00 0.00 -6.39 0.86 3.08 -1.92 -3.43 114.38 106.57 3i4g h ARG 323 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3i4g h ARG 323 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3i4g h ARG 323 CO 0.00 0.00 1.06 -0.47 -1.07 0.00 0.00 179.97 179.49 3i4g s TYR 324 N -3.56 2.15 -0.30 3.04 5.04 -0.54 -4.87 117.35 118.32 3i4g s TYR 324 Ca 0.02 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.85 3i4g s TYR 324 Cb 0.08 -3.99 0.08 0.00 0.35 0.00 0.00 41.96 38.48 3i4g s TYR 324 CO 0.55 -4.12 0.00 0.34 -1.34 0.00 0.00 175.55 170.99 3i4g s ASP 325 N 2.93 4.37 0.36 4.32 -1.08 -1.26 -4.98 116.67 121.32 3i4g s ASP 325 Ca 0.76 -1.70 0.25 0.00 -0.52 0.00 0.00 52.55 51.34 3i4g s ASP 325 Cb -0.39 -1.38 1.28 0.00 -1.46 0.00 0.00 42.92 40.97 3i4g s ASP 325 CO 0.33 -0.32 1.77 1.55 0.52 0.00 0.00 175.17 179.02 3i4g h PRO 326 N 7.80 0.00 0.00 4.34 0.13 -1.97 -1.25 132.00 141.05 3i4g h PRO 326 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3i4g h PRO 326 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3i4g h PRO 326 CO 0.48 0.00 -0.31 -1.13 -0.23 0.00 0.00 178.00 176.81 3i4g n SER 327 N -2.38 0.31 -3.24 1.44 3.41 -1.26 -4.54 113.62 107.37 3i4g n SER 327 Ca -0.01 0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.57 3i4g n SER 327 Cb 0.10 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 3i4g n SER 327 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i4g s ASN 328 N -3.02 -0.28 0.56 4.04 3.84 -0.47 -5.01 114.94 114.60 3i4g s ASN 328 Ca 0.12 -1.32 0.31 0.00 0.21 0.00 0.00 52.86 52.18 3i4g s ASN 328 Cb 0.18 1.27 1.69 0.00 -0.55 0.00 0.00 41.25 43.84 3i4g s ASN 328 CO 0.64 -0.19 2.16 -0.07 -2.79 0.00 0.00 177.10 176.84 3i4g h LEU 329 N 6.76 0.00 -1.23 3.21 3.38 -1.79 -2.15 115.31 123.49 3i4g h LEU 329 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i4g h LEU 329 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3i4g h LEU 329 CO 0.14 0.06 -0.14 0.61 0.09 0.00 0.00 178.44 179.21 3i4g n GLY 330 N -0.86 0.25 3.73 0.83 0.00 -1.26 -4.91 105.19 102.97 3i4g n GLY 330 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3i4g n GLY 330 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i4g s LYS 331 N -2.18 4.38 -1.40 1.61 2.20 -0.81 -2.50 119.74 121.04 3i4g s LYS 331 Ca 0.28 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 3i4g s LYS 331 Cb 0.20 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 3i4g s LYS 331 CO 0.40 -0.28 0.00 -3.47 -0.36 0.00 0.00 175.35 171.64 3i4g n ASP 332 N 3.00 -4.59 -4.56 1.43 -0.08 -1.26 -4.80 116.55 105.69 3i4g n ASP 332 Ca 0.07 0.20 -0.24 0.00 -1.51 0.00 0.00 54.79 53.31 3i4g n ASP 332 Cb 0.43 -3.53 -0.09 0.00 2.34 0.00 0.00 41.12 40.28 3i4g n ASP 332 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3i4g s ARG 333 N -3.87 1.96 -0.06 -0.67 1.81 -1.04 -1.34 118.95 115.74 3i4g s ARG 333 Ca 0.00 -1.64 -0.37 0.00 -1.72 0.00 0.00 55.73 51.99 3i4g s ARG 333 Cb 0.00 -1.93 -0.18 0.00 -0.45 0.00 0.00 34.95 32.39 3i4g s ARG 333 CO 0.00 0.31 1.04 -3.47 -0.68 0.00 0.00 175.30 172.50 3i4g n ASP 334 N -0.77 0.13 0.21 0.23 -0.08 -0.31 -4.57 116.55 111.39 3i4g n ASP 334 Ca -0.05 1.06 0.17 0.00 -1.51 0.00 0.00 54.79 54.46 3i4g n ASP 334 Cb 0.60 -0.83 0.83 0.00 2.34 0.00 0.00 41.12 44.06 3i4g n ASP 334 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i4g h PRO 335 N 2.97 0.00 0.00 -0.67 0.11 -1.89 -1.01 132.00 131.51 3i4g h PRO 335 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i4g h PRO 335 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3i4g h PRO 335 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3i4g h ARG 336 N 0.00 0.00 0.67 1.05 3.08 -1.90 -1.86 114.38 115.42 3i4g h ARG 336 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3i4g h ARG 336 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.57 3i4g h ARG 336 CO -0.00 0.00 -0.32 1.25 -1.07 0.00 0.00 179.97 179.83 3i4g h LEU 337 N 0.00 -0.76 -1.71 3.04 6.46 -1.51 -1.39 115.31 119.44 3i4g h LEU 337 Ca 0.00 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3i4g h LEU 337 Cb 0.24 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 3i4g h LEU 337 CO 0.00 -0.41 -0.18 0.44 -0.62 0.00 0.00 178.44 177.67 3i4g h ASP 338 N -1.14 0.00 0.49 1.25 3.32 -1.69 -0.61 116.42 118.03 3i4g h ASP 338 Ca -0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3i4g h ASP 338 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3i4g h ASP 338 CO 0.15 0.18 -0.30 1.88 -1.72 0.00 0.00 179.24 179.44 3i4g h TYR 339 N 0.00 0.00 0.00 4.55 0.05 -1.20 -3.36 116.97 117.01 3i4g h TYR 339 Ca -0.00 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.42 3i4g h TYR 339 Cb 0.37 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.05 3i4g h TYR 339 CO 0.00 0.30 -2.34 2.41 -1.05 0.00 0.00 178.16 177.48 3i4g n THR 340 N -3.83 1.34 -4.23 -2.88 -1.04 -0.53 -3.64 114.28 99.46 3i4g n THR 340 Ca -0.01 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.05 61.24 3i4g n THR 340 Cb 0.38 -1.04 -0.10 0.00 -1.82 0.00 0.00 70.33 67.75 3i4g n THR 340 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3i4g s ILE 341 N -2.47 0.95 0.29 12.58 -4.36 -0.34 -0.50 121.20 127.35 3i4g s ILE 341 Ca -0.24 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.17 3i4g s ILE 341 Cb 0.07 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 3i4g s ILE 341 CO 0.63 -0.71 0.15 -0.72 0.24 0.00 0.00 174.94 174.53 3i4g s TYR 342 N -3.47 1.54 0.31 1.37 1.13 -1.26 -4.39 117.35 112.58 3i4g s TYR 342 Ca 0.17 -1.35 -0.19 0.00 -1.41 0.00 0.00 57.07 54.29 3i4g s TYR 342 Cb 0.04 -0.82 0.04 0.00 -1.10 0.00 0.00 41.96 40.12 3i4g s TYR 342 CO 0.00 -0.52 0.78 1.52 -2.51 0.00 0.00 175.55 174.82 3i4g s TYR 343 N -3.69 -0.04 0.12 -3.49 -0.85 -1.26 -4.36 117.35 103.78 3i4g s TYR 343 Ca 0.37 -0.50 -0.35 0.00 -0.52 0.00 0.00 57.07 56.07 3i4g s TYR 343 Cb 0.06 0.76 -0.14 0.00 0.38 0.00 0.00 41.96 43.01 3i4g s TYR 343 CO 0.17 -1.34 1.55 -1.71 -1.52 0.00 0.00 175.55 172.70 3i4g n ASN 344 N -0.90 2.80 0.00 -0.18 5.15 -1.25 -1.61 115.26 119.27 3i4g n ASN 344 Ca -0.06 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 3i4g n ASN 344 Cb 0.59 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 3i4g n ASN 344 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i4g n GLY 345 N 3.31 2.30 3.79 8.20 0.00 0.02 -4.91 105.19 117.90 3i4g n GLY 345 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3i4g n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4g s ALA 346 N -2.28 2.68 -0.11 4.61 0.00 -0.63 -4.75 121.76 121.28 3i4g s ALA 346 Ca 0.00 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 3i4g s ALA 346 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3i4g s ALA 346 CO 0.00 -0.88 0.40 0.42 0.00 0.00 0.00 175.76 175.70 3i4g s ILE 347 N -2.32 5.19 -0.33 0.00 -1.09 -1.26 -0.56 121.20 120.83 3i4g s ILE 347 Ca 0.66 0.79 0.16 0.00 -2.23 0.00 0.00 60.65 60.03 3i4g s ILE 347 Cb -0.18 -3.73 0.44 0.00 -1.58 0.00 0.00 42.46 37.41 3i4g s ILE 347 CO 0.36 0.40 1.00 0.33 -1.23 0.00 0.00 174.94 175.80 3i4g n PHE 348 N 3.22 0.58 0.00 3.97 7.35 -1.26 -4.92 117.46 126.39 3i4g n PHE 348 Ca -0.10 -2.72 0.00 0.00 -0.76 0.00 0.00 57.45 53.87 3i4g n PHE 348 Cb 0.52 -0.10 0.00 0.00 0.35 0.00 0.00 39.48 40.25 3i4g n PHE 348 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i4g n GLY 350 N -0.11 0.00 3.14 7.13 0.00 -1.26 -4.68 105.19 109.40 3i4g n GLY 350 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3i4g n GLY 350 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4g s THR 351 N -0.02 0.72 0.11 2.61 -4.23 -1.26 -5.13 115.64 108.44 3i4g s THR 351 Ca 0.00 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 3i4g s THR 351 Cb 0.00 -1.22 -0.06 0.00 1.34 0.00 0.00 72.50 72.55 3i4g s THR 351 CO 0.00 -0.61 1.16 -0.70 -0.54 0.00 0.00 174.62 173.93 3i4g s GLU 352 N -2.75 4.50 -0.12 3.99 2.12 -1.26 -4.46 118.70 120.72 3i4g s GLU 352 Ca 0.02 1.75 -0.30 0.00 0.36 0.00 0.00 54.97 56.81 3i4g s GLU 352 Cb -0.02 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 3i4g s GLU 352 CO -0.02 -0.12 1.14 -0.47 -0.54 0.00 0.00 175.26 175.25 3i4g s TYR 353 N 0.52 3.24 0.09 5.30 5.04 0.27 -4.94 117.35 126.86 3i4g s TYR 353 Ca 0.55 1.32 0.05 0.00 -2.44 0.00 0.00 57.07 56.55 3i4g s TYR 353 Cb -0.29 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.63 3i4g s TYR 353 CO 0.32 -0.97 -0.03 0.15 -1.34 0.00 0.00 175.55 173.68 3i4g s LYS 354 N 2.55 2.44 0.00 4.97 -0.14 -1.26 -0.80 119.74 127.49 3i4g s LYS 354 Ca 0.52 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 3i4g s LYS 354 Cb -0.21 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 3i4g s LYS 354 CO 0.17 0.54 0.00 0.45 -0.76 0.00 0.00 175.35 175.75 3i4g n SER 356 N 0.67 0.00 0.25 2.83 2.88 -0.70 -4.53 113.62 115.01 3i4g n SER 356 Ca -0.12 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.57 3i4g n SER 356 Cb 0.52 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.76 3i4g n SER 356 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i4g h PRO 357 N 0.00 0.00 -0.00 -1.46 0.11 -1.87 -1.37 132.00 127.40 3i4g h PRO 357 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i4g h PRO 357 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i4g h PRO 357 CO 0.00 0.00 -0.47 -0.25 -0.21 0.00 0.00 178.00 177.07 3i4g n ASP 358 N -2.58 0.89 -4.75 -2.05 9.92 -1.26 -4.75 116.55 111.97 3i4g n ASP 358 Ca -0.02 -0.69 -0.23 0.00 -0.53 0.00 0.00 54.79 53.32 3i4g n ASP 358 Cb 0.15 0.32 0.10 0.00 -0.64 0.00 0.00 41.12 41.05 3i4g n ASP 358 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3i4g s TYR 359 N -2.77 1.35 -0.16 1.24 2.02 -0.98 -5.04 117.35 113.00 3i4g s TYR 359 Ca 0.16 -0.46 -0.26 0.00 -0.37 0.00 0.00 57.07 56.14 3i4g s TYR 359 Cb 0.18 -2.77 -0.01 0.00 -0.40 0.00 0.00 41.96 38.96 3i4g s TYR 359 CO 0.64 -1.65 0.86 0.45 -1.57 0.00 0.00 175.55 174.29 3i4g s SER 360 N -4.76 7.00 0.36 2.29 0.15 -1.26 -4.33 113.70 113.15 3i4g s SER 360 Ca 0.66 1.23 0.08 0.00 0.70 0.00 0.00 55.95 58.62 3i4g s SER 360 Cb -0.05 -2.47 0.69 0.00 -1.71 0.00 0.00 66.02 62.48 3i4g s SER 360 CO 0.43 -0.42 1.87 0.00 1.20 0.00 0.00 173.24 176.33 3i4g h ALA 361 N 7.30 1.41 -0.28 5.45 0.00 -1.91 -1.94 119.26 129.28 3i4g h ALA 361 Ca -0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3i4g h ALA 361 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3i4g h ALA 361 CO 0.85 0.41 0.09 0.00 0.00 0.00 0.00 179.25 180.59 3i4g h ALA 362 N 1.57 1.64 -0.17 0.00 0.00 -2.00 -1.05 119.26 119.25 3i4g h ALA 362 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i4g h ALA 362 Cb 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i4g h ALA 362 CO 0.03 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.19 3i4g n LYS 363 N -4.40 1.73 -3.40 0.00 5.02 -0.99 -4.93 118.16 111.19 3i4g n LYS 363 Ca 0.01 -1.09 -0.24 0.00 -2.02 0.00 0.00 58.31 54.96 3i4g n LYS 363 Cb 0.15 -1.39 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3i4g n LYS 363 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i4g n LYS 364 N 0.32 -6.14 0.00 1.97 5.02 -0.40 -4.88 118.16 114.05 3i4g n LYS 364 Ca 0.16 0.80 0.06 0.00 -2.02 0.00 0.00 58.31 57.31 3i4g n LYS 364 Cb 0.33 -5.74 0.01 0.00 -0.02 0.00 0.00 35.03 29.60 3i4g n LYS 364 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i4g n GLU 365 N -4.50 1.76 -3.40 1.97 1.02 -0.77 -4.81 120.64 111.90 3i4g n GLU 365 Ca -0.03 -0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 55.98 3i4g n GLU 365 Cb 0.58 -1.14 -0.06 0.00 -0.02 0.00 0.00 31.44 30.80 3i4g n GLU 365 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3i4g s LYS 366 N -1.38 4.05 -0.41 3.49 2.20 -1.18 -1.73 119.74 124.78 3i4g s LYS 366 Ca 0.10 0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 56.03 3i4g s LYS 366 Cb 0.09 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.20 3i4g s LYS 366 CO 0.26 0.65 0.74 -1.17 -0.36 0.00 0.00 175.35 175.47 3i4g s LEU 367 N -1.04 4.26 0.00 5.43 2.96 -0.55 -4.78 118.68 124.95 3i4g s LEU 367 Ca 0.26 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3i4g s LEU 367 Cb -0.18 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.60 3i4g s LEU 367 CO 0.16 -0.80 0.00 -0.90 -1.32 0.00 0.00 176.35 173.49 3i4g n ASP 368 N 6.47 0.00 -0.94 3.68 5.68 -1.26 -4.19 116.55 125.99 3i4g n ASP 368 Ca 0.01 -0.71 0.08 0.00 -0.50 0.00 0.00 54.79 53.68 3i4g n ASP 368 Cb 0.48 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.69 3i4g n ASP 368 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3i4g n TYR 369 N 0.00 0.71 0.00 2.11 4.01 -1.26 -4.72 117.16 118.01 3i4g n TYR 369 Ca 0.00 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 3i4g n TYR 369 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3i4g n TYR 369 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3i4g n THR 370 N 0.89 0.00 -1.51 -0.72 -2.24 -1.26 -5.12 114.28 104.31 3i4g n THR 370 Ca 0.17 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.64 3i4g n THR 370 Cb 0.53 -0.06 0.06 0.00 -2.10 0.00 0.00 70.33 68.77 3i4g n THR 370 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i4g s SER 371 N -0.90 5.10 -1.35 3.42 0.01 -1.26 -4.91 113.70 113.80 3i4g s SER 371 Ca 0.00 1.61 -0.16 0.00 1.31 0.00 0.00 55.95 58.71 3i4g s SER 371 Cb 0.00 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.86 3i4g s SER 371 CO 0.00 -1.62 1.90 1.21 0.41 0.00 0.00 173.24 175.14 3i4g n GLU 372 N -3.24 3.10 -3.78 12.44 2.13 -1.26 -4.78 120.64 125.25 3i4g n GLU 372 Ca 0.08 -3.08 -0.04 0.00 0.66 0.00 0.00 57.16 54.78 3i4g n GLU 372 Cb 0.54 -3.39 -0.01 0.00 0.27 0.00 0.00 31.44 28.85 3i4g n GLU 372 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i4g s ALA 373 N 3.63 -1.54 0.32 4.31 0.00 -1.26 -4.71 121.76 122.50 3i4g s ALA 373 Ca 0.51 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 3i4g s ALA 373 Cb 0.07 0.69 -0.12 0.00 0.00 0.00 0.00 23.12 23.76 3i4g s ALA 373 CO 0.01 -1.04 1.38 0.45 0.00 0.00 0.00 175.76 176.56 3i4g n SER 374 N -0.47 3.04 0.01 0.00 2.88 -1.26 -4.90 113.62 112.92 3i4g n SER 374 Ca -0.05 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 3i4g n SER 374 Cb 0.60 -1.51 0.25 0.00 -0.75 0.00 0.00 64.21 62.81 3i4g n SER 374 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i4g n ARG 375 N 1.01 0.07 -0.03 -1.46 5.12 -1.26 -4.36 116.66 115.75 3i4g n ARG 375 Ca 0.06 0.02 -0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3i4g n ARG 375 Cb 0.36 -1.54 -0.07 0.00 -1.16 0.00 0.00 32.46 30.04 3i4g n ARG 375 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3i4g n THR 376 N -1.65 0.35 -0.00 0.55 -2.24 -1.26 -4.76 114.28 105.26 3i4g n THR 376 Ca 0.05 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3i4g n THR 376 Cb 0.36 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3i4g n THR 376 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4g n GLY 377 N 2.22 0.13 3.86 3.38 0.00 -1.26 -0.73 105.19 112.79 3i4g n GLY 377 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3i4g n GLY 377 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i4g s PHE 378 N -2.03 2.00 0.00 1.61 0.08 -1.26 -3.97 117.98 114.41 3i4g s PHE 378 Ca 0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 3i4g s PHE 378 Cb 0.00 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 3i4g s PHE 378 CO 0.00 -0.26 0.00 -2.13 -0.10 0.00 0.00 175.22 172.73 3i4g n ARG 381 N -1.61 0.00 -1.66 0.44 0.63 0.34 -4.21 116.66 110.60 3i4g n ARG 381 Ca -0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 3i4g n ARG 381 Cb 0.64 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.55 3i4g n ARG 381 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i4g n LYS 382 N -0.66 1.74 -0.58 -0.14 4.81 -0.98 -2.73 118.16 119.62 3i4g n LYS 382 Ca 0.00 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3i4g n LYS 382 Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.85 3i4g n LYS 382 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i4g n TYR 383 N -0.11 0.00 -3.79 5.64 4.01 -1.26 -5.03 117.16 116.63 3i4g n TYR 383 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.44 3i4g n TYR 383 Cb 0.38 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 3i4g n TYR 383 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3i4g s PHE 384 N -3.36 3.31 -0.97 -0.72 0.08 -1.11 -4.76 117.98 110.46 3i4g s PHE 384 Ca 0.00 -1.71 -0.24 0.00 0.12 0.00 0.00 56.93 55.11 3i4g s PHE 384 Cb 0.00 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 3i4g s PHE 384 CO 0.00 -0.80 1.52 -2.00 -0.10 0.00 0.00 175.22 173.84 3i4g s GLU 385 N 1.32 3.38 0.42 0.44 2.12 -1.26 -4.86 118.70 120.26 3i4g s GLU 385 Ca -0.01 -0.89 0.18 0.00 0.36 0.00 0.00 54.97 54.61 3i4g s GLU 385 Cb -0.20 -5.20 0.94 0.00 0.26 0.00 0.00 34.13 29.93 3i4g s GLU 385 CO 0.01 -2.39 1.90 0.93 -0.54 0.00 0.00 175.26 175.16 3i4g h GLU 386 N 10.14 0.00 -0.00 4.30 5.08 -1.95 -2.51 114.58 129.63 3i4g h GLU 386 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i4g h GLU 386 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3i4g h GLU 386 CO 1.38 0.28 -0.03 0.43 -1.00 0.00 0.00 179.01 180.07 3i4g n SER 387 N -3.92 0.49 -4.19 1.42 7.64 -1.26 -4.80 113.62 109.01 3i4g n SER 387 Ca -0.02 -0.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.57 3i4g n SER 387 Cb 0.36 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.36 3i4g n SER 387 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i4g s THR 388 N -2.16 2.21 0.73 0.44 2.01 -0.95 -5.12 115.64 112.81 3i4g s THR 388 Ca 0.39 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 3i4g s THR 388 Cb 0.21 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.84 3i4g s THR 388 CO 0.39 0.54 1.13 -2.65 -0.69 0.00 0.00 174.62 173.35 3i4g n PRO 389 N 4.15 0.57 -3.95 4.92 -0.02 -1.26 -4.92 135.00 134.50 3i4g n PRO 389 Ca -0.20 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 3i4g n PRO 389 Cb 0.51 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 3i4g n PRO 389 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i4g s ILE 390 N -1.79 3.04 0.17 4.25 1.01 -1.26 -5.01 121.20 121.60 3i4g s ILE 390 Ca 0.76 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 3i4g s ILE 390 Cb -0.34 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 3i4g s ILE 390 CO 0.48 0.33 1.55 -1.13 0.00 0.00 0.00 174.94 176.17 3i4g h ASN 391 N 8.06 0.96 -2.85 3.58 -1.24 -1.94 -3.41 115.58 118.73 3i4g h ASN 391 Ca -0.38 -0.38 -0.41 0.00 0.71 0.00 0.00 56.30 55.84 3i4g h ASN 391 Cb 1.14 -0.26 -0.39 0.00 0.73 0.00 0.00 38.32 39.53 3i4g h ASN 391 CO 0.60 1.16 -0.70 -0.62 -1.29 0.00 0.00 177.43 176.57 3i4g s ASP 392 N -6.77 1.99 0.48 1.15 -1.08 -1.26 -5.02 116.67 106.16 3i4g s ASP 392 Ca -0.11 -0.47 0.32 0.00 -0.52 0.00 0.00 52.55 51.78 3i4g s ASP 392 Cb 0.12 -0.01 1.60 0.00 -1.46 0.00 0.00 42.92 43.17 3i4g s ASP 392 CO 0.87 -0.34 1.98 -0.37 0.52 0.00 0.00 175.17 177.82 3i4g h VAL 393 N 6.38 0.00 0.00 1.11 -1.51 -1.92 -1.00 116.25 119.30 3i4g h VAL 393 Ca -0.16 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3i4g h VAL 393 Cb 1.15 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3i4g h VAL 393 CO 0.29 0.00 -0.52 0.00 -1.23 0.00 0.00 177.57 176.11 3i4g n GLN 394 N -2.71 0.22 -3.09 5.19 6.02 -1.26 -1.35 117.38 120.40 3i4g n GLN 394 Ca -0.01 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 3i4g n GLN 394 Cb 0.14 -1.65 -0.05 0.00 1.02 0.00 0.00 30.24 29.70 3i4g n GLN 394 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i4g s SER 395 N -3.97 0.03 0.29 1.08 0.15 -0.39 -3.26 113.70 107.63 3i4g s SER 395 Ca 0.08 -2.34 0.08 0.00 0.70 0.00 0.00 55.95 54.47 3i4g s SER 395 Cb 0.14 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.15 3i4g s SER 395 CO 0.70 -0.12 0.11 0.00 1.20 0.00 0.00 173.24 175.13 3i4g s ALA 396 N 0.54 3.43 0.53 5.45 0.00 -0.36 -4.51 121.76 126.84 3i4g s ALA 396 Ca 0.30 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.41 3i4g s ALA 396 Cb 0.01 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 3i4g s ALA 396 CO -0.12 0.17 1.18 -0.80 0.00 0.00 0.00 175.76 176.19 3i4g s ASN 397 N -3.80 5.66 0.05 0.00 0.01 -1.26 -0.75 114.94 114.85 3i4g s ASN 397 Ca 0.35 2.32 -0.27 0.00 -0.71 0.00 0.00 52.86 54.54 3i4g s ASN 397 Cb -0.05 -2.60 0.09 0.00 0.41 0.00 0.00 41.25 39.10 3i4g s ASN 397 CO 0.23 -1.27 0.84 -0.83 -1.51 0.00 0.00 177.10 174.56 3i4g s GLY 398 N -1.54 -0.46 -0.17 0.66 0.00 -0.58 -4.82 107.32 100.41 3i4g s GLY 398 Ca 0.72 0.78 -0.04 0.00 0.00 0.00 0.00 44.72 46.18 3i4g s GLY 398 CO 0.32 0.25 0.26 -2.27 0.00 0.00 0.00 173.10 171.67 3i4g s LEU 399 N -2.59 -0.27 -0.30 0.66 1.98 -1.26 -0.69 118.68 116.20 3i4g s LEU 399 Ca 0.05 0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.60 3i4g s LEU 399 Cb -0.01 0.64 0.08 0.00 0.66 0.00 0.00 46.19 47.56 3i4g s LEU 399 CO -0.08 -0.28 -0.02 0.42 -1.89 0.00 0.00 176.35 174.50 3i4g s THR 400 N 2.40 2.17 0.48 3.68 -4.23 -0.42 -4.33 115.64 115.40 3i4g s THR 400 Ca 0.05 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.33 3i4g s THR 400 Cb -0.14 -2.46 -0.07 0.00 1.34 0.00 0.00 72.50 71.18 3i4g s THR 400 CO -0.11 -0.34 1.38 -2.84 -0.54 0.00 0.00 174.62 172.17 3i4g s PRO 401 N 1.02 3.52 -0.19 3.99 0.02 -1.26 -1.52 135.00 140.57 3i4g s PRO 401 Ca 0.02 2.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 3i4g s PRO 401 Cb -0.19 -2.51 -0.11 0.00 0.02 0.00 0.00 34.50 31.71 3i4g s PRO 401 CO -0.07 -0.91 -0.20 0.28 -0.33 0.00 0.00 177.00 175.77 3i4g n VAL 402 N -0.48 1.07 -3.91 3.83 0.31 0.62 -4.89 118.33 114.87 3i4g n VAL 402 Ca 0.07 -0.36 -0.27 0.00 -0.01 0.00 0.00 64.34 63.77 3i4g n VAL 402 Cb 0.43 -1.38 -0.17 0.00 -0.91 0.00 0.00 33.84 31.82 3i4g n VAL 402 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i4g s ILE 403 N -2.37 1.08 0.05 2.52 -1.09 -0.48 -4.98 121.20 115.95 3i4g s ILE 403 Ca -0.26 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 3i4g s ILE 403 Cb 0.08 -1.14 -0.04 0.00 -1.58 0.00 0.00 42.46 39.78 3i4g s ILE 403 CO 0.40 0.31 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.27 3i4g s ARG 404 N 1.67 2.58 0.50 2.79 0.52 -1.26 -0.96 118.95 124.79 3i4g s ARG 404 Ca 0.04 -0.78 0.15 0.00 -0.52 0.00 0.00 55.73 54.62 3i4g s ARG 404 Cb -0.13 -2.55 1.20 0.00 0.52 0.00 0.00 34.95 33.99 3i4g s ARG 404 CO -0.08 0.57 2.11 -0.92 0.02 0.00 0.00 175.30 177.00 3i4g h TYR 405 N 3.84 0.11 -0.65 -0.53 3.20 -1.08 -0.40 116.97 121.47 3i4g h TYR 405 Ca -0.48 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.41 3i4g h TYR 405 Cb 1.17 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 3i4g h TYR 405 CO 0.60 0.07 0.43 0.00 -1.64 0.00 0.00 178.16 177.62 3i4g h ALA 406 N 1.92 1.57 -0.47 1.82 0.00 -1.93 -0.89 119.26 121.28 3i4g h ALA 406 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3i4g h ALA 406 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i4g h ALA 406 CO -0.01 0.38 -0.20 1.49 0.00 0.00 0.00 179.25 180.92 3i4g h GLU 407 N 0.84 0.93 -0.44 0.00 4.81 -1.49 -1.80 114.58 117.43 3i4g h GLU 407 Ca 0.24 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3i4g h GLU 407 Cb -0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3i4g h GLU 407 CO -0.06 1.04 0.24 0.28 -0.73 0.00 0.00 179.01 179.78 3i4g h VAL 408 N 0.81 1.00 -0.45 0.32 2.07 -1.01 0.38 116.25 119.38 3i4g h VAL 408 Ca 0.11 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3i4g h VAL 408 Cb 0.75 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3i4g h VAL 408 CO 0.06 0.09 0.09 -0.07 0.02 0.00 0.00 177.57 177.76 3i4g h LEU 409 N 0.48 0.69 -0.74 2.57 3.38 -1.08 -0.48 115.31 120.13 3i4g h LEU 409 Ca 0.19 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3i4g h LEU 409 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i4g h LEU 409 CO -0.11 0.76 -0.56 -0.07 0.09 0.00 0.00 178.44 178.55 3i4g h LEU 410 N 0.60 0.23 -0.39 1.67 3.38 -1.16 -2.51 115.31 117.13 3i4g h LEU 410 Ca 0.14 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3i4g h LEU 410 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i4g h LEU 410 CO 0.00 0.74 0.01 1.23 0.09 0.00 0.00 178.44 180.52 3i4g h GLY 411 N 1.46 0.73 0.48 0.83 0.00 -0.02 -0.41 103.07 106.14 3i4g h GLY 411 Ca -0.00 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.85 3i4g h GLY 411 CO 0.08 0.49 -0.07 -1.82 0.00 0.00 0.00 176.54 175.22 3i4g h TYR 412 N 0.51 -0.15 -0.37 5.60 3.20 -0.98 -0.67 116.97 124.10 3i4g h TYR 412 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3i4g h TYR 412 Cb 0.45 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3i4g h TYR 412 CO 0.04 -0.12 0.14 1.25 -1.64 0.00 0.00 178.16 177.83 3i4g h LEU 413 N -0.01 0.51 -0.59 2.82 5.85 -1.33 -0.87 115.31 121.70 3i4g h LEU 413 Ca 0.12 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3i4g h LEU 413 Cb 0.20 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3i4g h LEU 413 CO -0.27 0.55 0.29 -0.08 -0.34 0.00 0.00 178.44 178.59 3i4g h GLU 414 N 0.45 0.53 -0.57 1.25 4.81 -0.87 -1.34 114.58 118.84 3i4g h GLU 414 Ca 0.12 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3i4g h GLU 414 Cb 0.20 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3i4g h GLU 414 CO -0.01 0.35 0.17 0.00 -0.73 0.00 0.00 179.01 178.79 3i4g h LEU 416 N 0.80 0.53 -0.48 0.00 3.38 -0.75 0.36 115.31 119.15 3i4g h LEU 416 Ca 0.18 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3i4g h LEU 416 Cb 0.29 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3i4g h LEU 416 CO -0.00 0.46 0.28 0.58 0.09 0.00 0.00 178.44 179.85 3i4g h VAL 417 N 0.55 1.05 0.00 1.22 2.07 -1.04 -0.57 116.25 119.53 3i4g h VAL 417 Ca 0.15 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3i4g h VAL 417 Cb 0.05 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3i4g h VAL 417 CO -0.02 0.10 -0.26 -0.33 0.02 0.00 0.00 177.57 177.08 3i4g h GLU 418 N 0.57 0.00 -0.31 1.57 4.39 -0.98 -1.90 114.58 117.93 3i4g h GLU 418 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3i4g h GLU 418 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3i4g h GLU 418 CO -0.09 0.26 0.00 -3.47 -1.16 0.00 0.00 179.01 174.55 3i4g n ASP 419 N -3.31 1.66 -3.55 1.42 2.03 0.10 -4.92 116.55 109.98 3i4g n ASP 419 Ca 0.01 -1.99 -0.26 0.00 0.52 0.00 0.00 54.79 53.07 3i4g n ASP 419 Cb 0.51 -0.20 0.02 0.00 -0.72 0.00 0.00 41.12 40.73 3i4g n ASP 419 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3i4g n ASN 420 N 0.41 -4.93 -4.87 1.67 5.15 -0.71 -4.98 115.26 106.99 3i4g n ASN 420 Ca 0.11 -0.55 -0.30 0.00 -0.60 0.00 0.00 54.58 53.23 3i4g n ASN 420 Cb 0.26 -3.97 -0.01 0.00 -0.53 0.00 0.00 39.78 35.53 3i4g n ASN 420 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3i4g s GLN 421 N -6.24 3.71 0.10 1.20 -1.52 -0.26 -5.01 119.66 111.64 3i4g s GLN 421 Ca 0.51 0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 54.26 3i4g s GLN 421 Cb -0.25 -2.21 -0.06 0.00 -0.22 0.00 0.00 33.01 30.27 3i4g s GLN 421 CO 0.63 -0.32 1.10 0.95 -0.25 0.00 0.00 175.29 177.40 3i4g s THR 422 N -2.80 4.16 -0.20 -0.19 -4.23 -1.26 -4.72 115.64 106.40 3i4g s THR 422 Ca 0.54 1.67 -0.08 0.00 -1.18 0.00 0.00 61.69 62.64 3i4g s THR 422 Cb -0.10 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 3i4g s THR 422 CO 0.42 0.20 0.09 -0.63 -0.54 0.00 0.00 174.62 174.16 3i4g s ILE 423 N 0.49 4.95 0.32 2.99 -1.09 -1.26 -5.06 121.20 122.53 3i4g s ILE 423 Ca 0.53 0.03 0.08 0.00 -2.23 0.00 0.00 60.65 59.06 3i4g s ILE 423 Cb -0.27 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 3i4g s ILE 423 CO 0.31 0.43 0.17 0.42 -1.23 0.00 0.00 174.94 175.03 3i4g s THR 424 N 0.59 3.40 0.40 2.92 -4.23 -1.26 -4.86 115.64 112.59 3i4g s THR 424 Ca 0.05 -1.61 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 3i4g s THR 424 Cb -0.13 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.90 3i4g s THR 424 CO 0.01 -0.23 2.03 -0.61 -0.54 0.00 0.00 174.62 175.28 3i4g h GLN 425 N 1.51 0.53 -0.61 3.99 5.75 -1.97 -1.33 115.11 122.98 3i4g h GLN 425 Ca -0.45 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 3i4g h GLN 425 Cb 1.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 3i4g h GLN 425 CO 0.61 0.39 0.40 0.78 -2.65 0.00 0.00 178.83 178.36 3i4g h GLY 426 N 0.60 0.86 0.99 2.39 0.00 -1.98 0.97 103.07 106.90 3i4g h GLY 426 Ca 0.14 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3i4g h GLY 426 CO -0.03 0.29 0.14 -2.22 0.00 0.00 0.00 176.54 174.72 3i4g h ILE 427 N 0.80 1.24 -0.65 2.60 2.04 -1.77 -1.81 117.51 119.96 3i4g h ILE 427 Ca 0.23 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3i4g h ILE 427 Cb -0.06 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3i4g h ILE 427 CO -0.06 0.31 0.41 -0.07 0.00 0.00 0.00 178.15 178.74 3i4g h LEU 428 N 0.74 0.76 -1.34 1.44 3.38 -0.88 -2.40 115.31 117.01 3i4g h LEU 428 Ca 0.17 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3i4g h LEU 428 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i4g h LEU 428 CO 0.00 0.57 -0.16 0.44 0.09 0.00 0.00 178.44 179.38 3i4g h ASP 429 N 0.88 0.23 1.05 -0.43 3.32 -0.54 -0.95 116.42 119.98 3i4g h ASP 429 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3i4g h ASP 429 Cb -0.07 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3i4g h ASP 429 CO -0.05 0.42 -0.22 -1.84 -1.72 0.00 0.00 179.24 175.83 3i4g n GLU 430 N -4.24 0.16 0.00 3.56 0.28 -0.71 -2.86 120.64 116.82 3i4g n GLU 430 Ca -0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 3i4g n GLU 430 Cb 0.29 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.52 3i4g n GLU 430 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3i4g n THR 431 N -1.90 0.00 -0.25 3.84 -2.24 -0.93 -4.64 114.28 108.17 3i4g n THR 431 Ca 0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 3i4g n THR 431 Cb 0.39 -0.03 0.28 0.00 -2.10 0.00 0.00 70.33 68.87 3i4g n THR 431 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3i4g h ILE 432 N 0.00 1.08 0.00 2.28 2.10 -1.74 -1.81 117.51 119.42 3i4g h ILE 432 Ca 0.00 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 3i4g h ILE 432 Cb 0.00 0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 35.78 3i4g h ILE 432 CO 0.00 0.17 -0.07 0.78 -1.08 0.00 0.00 178.15 177.96 3i4g h ASN 433 N 0.94 0.00 0.12 2.19 2.35 -1.38 0.04 115.58 119.83 3i4g h ASN 433 Ca 0.34 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.93 3i4g h ASN 433 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3i4g h ASN 433 CO -0.11 0.07 -0.59 0.00 -1.65 0.00 0.00 177.43 175.14 3i4g h ALA 434 N 1.93 0.70 -0.08 -0.83 0.00 -1.20 0.19 119.26 119.97 3i4g h ALA 434 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3i4g h ALA 434 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i4g h ALA 434 CO 0.01 0.71 -0.13 0.28 0.00 0.00 0.00 179.25 180.12 3i4g h VAL 435 N 0.36 1.40 -0.01 0.00 2.07 -1.15 -2.98 116.25 115.93 3i4g h VAL 435 Ca -0.00 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 3i4g h VAL 435 Cb 1.14 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3i4g h VAL 435 CO 0.11 0.39 -0.43 0.03 0.02 0.00 0.00 177.57 177.69 3i4g h ARG 436 N -0.24 0.03 -0.00 1.57 3.08 -1.01 -3.01 114.38 114.80 3i4g h ARG 436 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i4g h ARG 436 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3i4g h ARG 436 CO 0.03 0.46 -0.02 0.41 -1.07 0.00 0.00 179.97 179.78 3i4g n GLY 437 N -0.27 -0.90 3.53 0.04 0.00 0.66 -1.95 105.19 106.30 3i4g n GLY 437 Ca -0.02 -0.23 -0.52 0.00 0.00 0.00 0.00 46.02 45.25 3i4g n GLY 437 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i4g n ARG 438 N -0.87 0.68 -0.28 1.61 0.63 -1.13 -4.43 116.66 112.86 3i4g n ARG 438 Ca 0.20 0.24 0.09 0.00 -0.92 0.00 0.00 57.85 57.47 3i4g n ARG 438 Cb 0.19 -1.69 0.33 0.00 0.45 0.00 0.00 32.46 31.74 3i4g n ARG 438 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i4g h ALA 439 N 3.06 1.71 0.00 5.13 0.00 -1.84 0.27 119.26 127.59 3i4g h ALA 439 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i4g h ALA 439 Cb 1.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i4g h ALA 439 CO 0.68 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.88 3i4g n SER 440 N -4.55 0.00 0.01 0.00 3.41 -0.79 -4.17 113.62 107.53 3i4g n SER 440 Ca 0.16 0.04 -0.03 0.00 -0.26 0.00 0.00 58.87 58.79 3i4g n SER 440 Cb 0.38 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3i4g n SER 440 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i4g n VAL 441 N -1.33 1.22 -2.30 -3.33 0.31 0.05 -4.85 118.33 108.09 3i4g n VAL 441 Ca 0.11 0.30 -0.00 0.00 -0.01 0.00 0.00 64.34 64.74 3i4g n VAL 441 Cb 0.23 -1.77 -0.00 0.00 -0.91 0.00 0.00 33.84 31.39 3i4g n VAL 441 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i4g n ASN 442 N -3.70 -6.09 -4.85 4.52 5.15 0.72 -4.68 115.26 106.34 3i4g n ASN 442 Ca -0.04 1.56 -0.37 0.00 -0.60 0.00 0.00 54.58 55.13 3i4g n ASN 442 Cb 0.17 -4.03 -0.06 0.00 -0.53 0.00 0.00 39.78 35.33 3i4g n ASN 442 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3i4g s PRO 444 N -0.41 3.55 0.54 1.20 0.02 -1.26 -4.97 135.00 133.67 3i4g s PRO 444 Ca -0.02 -0.16 -0.21 0.00 0.02 0.00 0.00 61.00 60.64 3i4g s PRO 444 Cb 0.00 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 3i4g s PRO 444 CO 0.06 0.69 1.21 -1.25 -0.33 0.00 0.00 177.00 177.38 3i4g s PRO 445 N -0.78 3.28 0.23 5.54 0.04 -1.26 -4.99 135.00 137.05 3i4g s PRO 445 Ca 0.14 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 3i4g s PRO 445 Cb -0.12 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3i4g s PRO 445 CO 0.03 -0.97 0.89 0.08 0.04 0.00 0.00 177.00 177.07 3i4g s VAL 446 N -1.55 4.17 0.00 -0.36 1.01 -1.26 -4.98 120.40 117.43 3i4g s VAL 446 Ca 0.72 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.65 3i4g s VAL 446 Cb -0.31 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3i4g s VAL 446 CO 0.35 0.47 0.27 0.35 0.00 0.00 0.00 175.10 176.55 3i4g n THR 447 N 1.43 0.00 -2.06 3.92 -2.24 -1.26 -4.87 114.28 109.20 3i4g n THR 447 Ca -0.03 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3i4g n THR 447 Cb 0.48 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3i4g n THR 447 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i4g s GLU 448 N -0.25 4.23 0.00 -0.78 2.56 -1.26 -4.90 118.70 118.30 3i4g s GLU 448 Ca 0.00 2.16 0.00 0.00 0.00 0.00 0.00 54.97 57.14 3i4g s GLU 448 Cb 0.00 -3.62 0.00 0.00 2.00 0.00 0.00 34.13 32.52 3i4g s GLU 448 CO 0.00 -0.68 0.41 1.33 -0.56 0.00 0.00 175.26 175.76 3i4g n VAL 449 N 4.76 0.00 -2.34 3.70 0.24 -1.26 -4.83 118.33 118.59 3i4g n VAL 449 Ca 0.15 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.52 3i4g n VAL 449 Cb 0.42 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 3i4g n VAL 449 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i4g s THR 450 N -0.22 4.07 0.17 3.34 2.01 -1.26 -4.62 115.64 119.13 3i4g s THR 450 Ca 0.00 1.35 -0.14 0.00 0.31 0.00 0.00 61.69 63.22 3i4g s THR 450 Cb 0.00 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.70 3i4g s THR 450 CO 0.00 -0.07 1.78 -0.65 -0.69 0.00 0.00 174.62 175.00 3i4g h PRO 451 N 8.14 0.72 -0.85 4.92 0.11 -1.96 0.18 132.00 143.26 3i4g h PRO 451 Ca -0.32 -0.08 0.04 0.00 0.11 0.00 0.00 66.00 65.75 3i4g h PRO 451 Cb 1.14 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 3i4g h PRO 451 CO 0.93 0.55 0.54 0.00 -0.21 0.00 0.00 178.00 179.82 3i4g h ALA 452 N 1.13 1.14 -0.12 -0.75 0.00 -1.96 -0.68 119.26 118.03 3i4g h ALA 452 Ca 0.19 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3i4g h ALA 452 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i4g h ALA 452 CO -0.03 0.35 -0.75 0.87 0.00 0.00 0.00 179.25 179.69 3i4g h LYS 453 N 1.03 0.60 0.00 0.00 1.57 -1.81 -3.19 116.57 114.77 3i4g h LYS 453 Ca 0.35 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3i4g h LYS 453 Cb 0.06 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3i4g h LYS 453 CO -0.13 1.11 -0.45 1.25 -0.57 0.00 0.00 179.45 180.66 3i4g h LEU 454 N 0.41 0.00 -0.47 2.94 5.85 -0.22 -2.79 115.31 121.03 3i4g h LEU 454 Ca -0.04 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3i4g h LEU 454 Cb 1.35 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 3i4g h LEU 454 CO 0.14 0.45 0.13 -0.09 -0.34 0.00 0.00 178.44 178.73 3i4g h ARG 455 N 0.00 0.27 -0.06 1.25 2.43 -1.12 0.50 114.38 117.66 3i4g h ARG 455 Ca -0.00 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3i4g h ARG 455 Cb 0.85 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3i4g h ARG 455 CO 0.06 0.18 -0.70 0.93 -1.51 0.00 0.00 179.97 178.93 3i4g h GLU 456 N 0.28 0.27 -0.39 0.20 4.39 -1.60 -1.28 114.58 116.45 3i4g h GLU 456 Ca 0.23 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3i4g h GLU 456 Cb 0.28 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3i4g h GLU 456 CO -0.27 0.86 0.06 0.82 -1.16 0.00 0.00 179.01 179.32 3i4g h ILE 457 N 0.18 1.24 -0.36 3.13 2.04 -1.17 -1.26 117.51 121.32 3i4g h ILE 457 Ca -0.02 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 3i4g h ILE 457 Cb 1.25 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3i4g h ILE 457 CO 0.11 0.30 -0.12 0.58 0.00 0.00 0.00 178.15 179.02 3i4g h VAL 458 N 0.49 1.28 -0.84 1.67 2.07 -0.71 -0.13 116.25 120.09 3i4g h VAL 458 Ca 0.12 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3i4g h VAL 458 Cb 0.37 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3i4g h VAL 458 CO 0.01 0.40 0.52 0.03 0.02 0.00 0.00 177.57 178.55 3i4g h ARG 459 N 0.50 1.12 -0.41 1.57 3.08 -1.21 -0.28 114.38 118.76 3i4g h ARG 459 Ca 0.09 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3i4g h ARG 459 Cb 0.64 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3i4g h ARG 459 CO 0.04 0.77 -0.06 1.25 -1.07 0.00 0.00 179.97 180.91 3i4g h HIS 460 N 1.14 0.84 -0.74 3.04 2.76 -1.06 -1.47 115.15 119.66 3i4g h HIS 460 Ca 0.30 -0.17 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3i4g h HIS 460 Cb -0.08 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 3i4g h HIS 460 CO -0.01 0.86 0.31 1.49 -1.30 0.00 0.00 177.93 179.29 3i4g h GLU 461 N 0.58 1.10 -0.71 5.26 4.57 -0.66 -1.45 114.58 123.26 3i4g h GLU 461 Ca 0.11 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3i4g h GLU 461 Cb 0.57 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 3i4g h GLU 461 CO 0.03 0.89 0.47 -0.09 -1.18 0.00 0.00 179.01 179.13 3i4g h ARG 462 N 1.06 0.94 -0.32 1.92 2.43 -0.93 0.11 114.38 119.59 3i4g h ARG 462 Ca 0.25 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3i4g h ARG 462 Cb 0.19 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3i4g h ARG 462 CO -0.02 0.62 0.08 -0.09 -1.51 0.00 0.00 179.97 179.05 3i4g h ARG 463 N 0.96 0.20 -0.10 0.20 2.43 -0.61 -1.56 114.38 115.90 3i4g h ARG 463 Ca 0.26 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3i4g h ARG 463 Cb -0.11 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3i4g h ARG 463 CO -0.06 0.13 -0.06 0.82 -1.51 0.00 0.00 179.97 179.30 3i4g h ILE 464 N 0.20 1.33 -0.92 1.20 1.08 -0.97 -2.23 117.51 117.20 3i4g h ILE 464 Ca 0.15 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 3i4g h ILE 464 Cb 0.15 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 3i4g h ILE 464 CO -0.18 0.31 0.52 -0.08 -0.69 0.00 0.00 178.15 178.03 3i4g h GLU 465 N -0.14 1.27 -0.59 2.37 4.57 -0.69 -2.96 114.58 118.40 3i4g h GLU 465 Ca 0.02 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3i4g h GLU 465 Cb 0.52 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3i4g h GLU 465 CO 0.02 0.92 0.00 1.28 -1.18 0.00 0.00 179.01 180.05 3i4g n LEU 466 N -4.33 4.27 -3.50 1.64 4.77 -0.60 -5.05 117.00 114.20 3i4g n LEU 466 Ca 0.10 -2.34 -0.35 0.00 -0.03 0.00 0.00 56.01 53.39 3i4g n LEU 466 Cb 0.09 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 3i4g n LEU 466 CO 0.39 0.83 1.31 0.00 -1.33 0.00 0.00 177.39 178.58 3i4g n ALA 467 N 1.00 0.75 0.00 -1.18 0.00 -0.84 -4.54 120.51 115.70 3i4g n ALA 467 Ca 0.23 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.52 3i4g n ALA 467 Cb 0.77 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3i4g n ALA 467 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i4g n GLU 469 N 7.15 0.00 -0.78 0.00 1.02 -1.26 -5.05 120.64 121.72 3i4g n GLU 469 Ca 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 3i4g n GLU 469 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 3i4g n GLU 469 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4g n GLY 470 N 0.00 0.52 0.00 0.62 0.00 -1.26 -4.41 105.19 100.67 3i4g n GLY 470 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.27 3i4g n GLY 470 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4g n ILE 471 N -2.78 0.00 -0.18 -0.61 5.41 -1.26 -4.69 119.36 115.26 3i4g n ILE 471 Ca 0.00 -0.26 -0.07 0.00 1.00 0.00 0.00 62.75 63.42 3i4g n ILE 471 Cb 0.00 0.37 0.02 0.00 -0.71 0.00 0.00 39.64 39.32 3i4g n ILE 471 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3i4g h ARG 472 N 0.00 0.70 -0.21 0.38 9.65 -1.92 -0.82 114.38 122.15 3i4g h ARG 472 Ca 0.00 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3i4g h ARG 472 Cb 0.48 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 3i4g h ARG 472 CO 0.00 0.52 0.13 -0.92 2.80 0.00 0.00 179.97 182.49 3i4g h TYR 473 N 0.69 0.28 -0.80 2.20 3.20 -1.91 -0.10 116.97 120.52 3i4g h TYR 473 Ca 0.18 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.16 3i4g h TYR 473 Cb -0.00 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.10 3i4g h TYR 473 CO -0.02 0.22 0.42 2.35 -1.64 0.00 0.00 178.16 179.49 3i4g h TRP 474 N 0.26 0.76 -0.09 -3.82 7.01 -1.73 -2.80 115.95 115.54 3i4g h TRP 474 Ca 0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3i4g h TRP 474 Cb 0.03 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 26.87 3i4g h TRP 474 CO -0.05 0.26 -0.02 -0.44 -2.79 0.00 0.00 178.44 175.41 3i4g h ASP 475 N 0.68 0.17 0.00 2.65 3.32 -0.62 -1.83 116.42 120.78 3i4g h ASP 475 Ca 0.40 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3i4g h ASP 475 Cb 0.45 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3i4g h ASP 475 CO -0.29 0.48 0.00 2.30 -1.72 0.00 0.00 179.24 180.02 3i4g n ILE 476 N -4.80 0.50 0.00 0.35 -5.35 -0.10 -0.93 119.36 109.04 3i4g n ILE 476 Ca -0.07 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3i4g n ILE 476 Cb 0.22 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.29 3i4g n ILE 476 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3i4g n ARG 478 N 1.08 0.00 0.14 6.28 1.85 -0.69 -1.64 116.66 123.69 3i4g n ARG 478 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 3i4g n ARG 478 Cb 0.20 0.00 0.47 0.00 -1.05 0.00 0.00 32.46 32.07 3i4g n ARG 478 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 3i4g h TRP 479 N 0.00 0.00 -1.06 2.89 6.55 -1.29 -3.47 115.95 119.57 3i4g h TRP 479 Ca 0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 3i4g h TRP 479 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 3i4g h TRP 479 CO 0.00 0.00 -0.21 0.41 -1.05 0.00 0.00 178.44 177.59 3i4g n GLY 480 N 0.47 0.20 0.27 1.49 0.00 -1.01 -4.91 105.19 101.70 3i4g n GLY 480 Ca 0.03 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.54 3i4g n GLY 480 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i4g n ILE 481 N -3.78 0.00 -0.35 -0.61 -5.35 -0.81 -4.66 119.36 103.80 3i4g n ILE 481 Ca -0.10 -0.47 0.07 0.00 -0.27 0.00 0.00 62.75 61.98 3i4g n ILE 481 Cb 0.52 1.14 0.24 0.00 -1.74 0.00 0.00 39.64 39.80 3i4g n ILE 481 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i4g h ALA 482 N 1.50 1.53 0.00 -1.28 0.00 -1.66 -0.57 119.26 118.77 3i4g h ALA 482 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i4g h ALA 482 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i4g h ALA 482 CO 0.00 0.25 0.00 1.12 0.00 0.00 0.00 179.25 180.62 3i4g h HIS 483 N 1.01 0.00 0.00 0.00 2.07 -1.87 0.87 115.15 117.23 3i4g h HIS 483 Ca 0.48 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.94 3i4g h HIS 483 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 3i4g h HIS 483 CO -0.00 0.00 -0.39 0.93 -3.07 0.00 0.00 177.93 175.39 3i4g h GLU 484 N 0.00 0.00 0.00 5.12 5.08 -1.47 -3.32 114.58 119.99 3i4g h GLU 484 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4g h GLU 484 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i4g h GLU 484 CO 0.00 0.65 0.00 -0.39 -1.00 0.00 0.00 179.01 178.27 3i4g h VAL 485 N -1.00 0.00 -0.64 3.13 -1.51 -1.13 -2.91 116.25 112.19 3i4g h VAL 485 Ca -0.09 -0.87 -0.26 0.00 -1.23 0.00 0.00 66.70 64.25 3i4g h VAL 485 Cb 0.80 1.87 -0.15 0.00 -2.13 0.00 0.00 31.29 31.67 3i4g h VAL 485 CO -0.05 0.00 0.24 0.18 -1.23 0.00 0.00 177.57 176.71 3i4g n LEU 486 N -3.05 5.45 -1.09 4.19 4.77 0.29 -4.27 117.00 123.29 3i4g n LEU 486 Ca 0.03 -3.45 0.10 0.00 -0.03 0.00 0.00 56.01 52.67 3i4g n LEU 486 Cb 0.48 -0.71 0.24 0.00 -2.33 0.00 0.00 43.42 41.10 3i4g n LEU 486 CO 0.32 0.98 0.71 -1.54 -1.33 0.00 0.00 177.39 176.52 3i4g n SER 487 N -0.72 3.50 -4.61 -1.43 3.41 -1.10 -1.75 113.62 110.91 3i4g n SER 487 Ca 0.41 -1.97 -0.27 0.00 -0.26 0.00 0.00 58.87 56.78 3i4g n SER 487 Cb 1.31 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 3i4g n SER 487 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3i4g s GLN 488 N -1.12 1.96 0.68 4.33 -1.52 -1.22 -4.76 119.66 118.01 3i4g s GLN 488 Ca 0.39 -2.01 -0.13 0.00 -1.95 0.00 0.00 55.36 51.65 3i4g s GLN 488 Cb 0.21 -1.71 0.01 0.00 -0.22 0.00 0.00 33.01 31.29 3i4g s GLN 488 CO 0.28 0.01 1.09 0.15 -0.25 0.00 0.00 175.29 176.56 3i4g s LYS 489 N -3.71 2.80 -0.15 2.91 1.02 -1.26 -1.99 119.74 119.36 3i4g s LYS 489 Ca 0.35 1.24 -0.03 0.00 0.02 0.00 0.00 55.97 57.55 3i4g s LYS 489 Cb 0.07 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 3i4g s LYS 489 CO 0.18 -1.23 -0.06 0.42 -0.92 0.00 0.00 175.35 173.74 3i4g s ILE 490 N -2.60 3.63 0.31 2.17 1.01 0.11 -4.92 121.20 120.91 3i4g s ILE 490 Ca 0.64 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.94 3i4g s ILE 490 Cb -0.18 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 3i4g s ILE 490 CO 0.46 0.50 -0.12 0.26 0.00 0.00 0.00 174.94 176.04 3i4g s TRP 491 N 0.40 2.40 0.00 3.97 0.52 -1.26 -1.13 118.94 123.84 3i4g s TRP 491 Ca -0.06 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.67 3i4g s TRP 491 Cb -0.15 -1.22 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 3i4g s TRP 491 CO 0.04 0.63 0.00 0.41 0.02 0.00 0.00 176.95 178.05 3i4g n GLY 492 N -0.75 6.84 3.74 0.98 0.00 0.91 -0.71 105.19 116.20 3i4g n GLY 492 Ca -0.05 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3i4g n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4g s ALA 493 N -2.00 2.19 0.25 4.61 0.00 0.09 -4.00 121.76 122.89 3i4g s ALA 493 Ca 0.00 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.33 3i4g s ALA 493 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3i4g s ALA 493 CO 0.00 -1.75 0.88 -1.25 0.00 0.00 0.00 175.76 173.64 3i4g s PRO 494 N -4.21 4.65 -0.39 0.00 0.05 -1.26 -1.94 135.00 131.90 3i4g s PRO 494 Ca 0.69 1.31 0.12 0.00 0.05 0.00 0.00 61.00 63.16 3i4g s PRO 494 Cb -0.23 -3.10 0.38 0.00 0.05 0.00 0.00 34.50 31.60 3i4g s PRO 494 CO 0.47 0.45 0.85 0.66 0.05 0.00 0.00 177.00 179.48 3i4g n TYR 495 N 1.17 1.24 0.27 0.56 4.01 0.03 -4.92 117.16 119.52 3i4g n TYR 495 Ca -0.02 -3.54 0.11 0.00 -0.16 0.00 0.00 57.90 54.29 3i4g n TYR 495 Cb 0.49 -0.40 0.73 0.00 -0.31 0.00 0.00 39.34 39.85 3i4g n TYR 495 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i4g h PRO 496 N 2.97 0.00 -0.11 -0.72 0.13 -1.82 -2.07 132.00 130.37 3i4g h PRO 496 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3i4g h PRO 496 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3i4g h PRO 496 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 3i4g n GLY 497 N -1.47 -0.04 3.71 1.56 0.00 -1.26 -4.90 105.19 102.80 3i4g n GLY 497 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3i4g n GLY 497 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i4g s SER 498 N -1.63 7.27 0.17 1.61 0.15 -0.78 -4.95 113.70 115.54 3i4g s SER 498 Ca 0.33 1.54 0.08 0.00 0.70 0.00 0.00 55.95 58.59 3i4g s SER 498 Cb 0.17 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 3i4g s SER 498 CO 0.26 -0.24 1.40 0.71 1.20 0.00 0.00 173.24 176.57 3i4g h THR 499 N 4.81 1.61 0.00 6.45 1.35 -1.90 -3.31 112.91 121.92 3i4g h THR 499 Ca -0.40 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.51 3i4g h THR 499 Cb 1.21 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 3i4g h THR 499 CO 0.76 0.84 -0.75 0.00 -0.25 0.00 0.00 175.52 176.12 3i4g n GLN 500 N -3.52 0.17 -0.08 4.72 1.13 -1.26 -4.50 117.38 114.04 3i4g n GLN 500 Ca -0.01 0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 55.01 3i4g n GLN 500 Cb 0.82 -1.58 -0.00 0.00 0.11 0.00 0.00 30.24 29.59 3i4g n GLN 500 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 3i4g h TYR 501 N 0.00 -0.46 -0.47 1.08 3.20 -1.90 -2.50 116.97 115.93 3i4g h TYR 501 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3i4g h TYR 501 Cb 0.64 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 3i4g h TYR 501 CO 0.00 -0.26 0.31 0.00 -1.64 0.00 0.00 178.16 176.58 3i4g h ALA 502 N 1.05 1.94 -0.02 1.82 0.00 -1.82 -1.32 119.26 120.91 3i4g h ALA 502 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i4g h ALA 502 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i4g h ALA 502 CO -0.40 -0.03 -0.24 0.25 0.00 0.00 0.00 179.25 178.84 3i4g n THR 503 N -4.47 0.00 -0.00 0.00 -2.24 -1.05 -4.59 114.28 101.93 3i4g n THR 503 Ca 0.06 -0.38 -0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3i4g n THR 503 Cb 0.25 1.36 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3i4g n THR 503 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i4g n THR 504 N 0.59 0.01 -1.87 4.28 -2.24 -0.90 -4.99 114.28 109.16 3i4g n THR 504 Ca 0.11 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 3i4g n THR 504 Cb 0.51 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 3i4g n THR 504 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3i4g s THR 505 N -2.01 2.19 0.44 4.28 -1.32 -0.55 -4.88 115.64 113.79 3i4g s THR 505 Ca -0.00 0.19 0.20 0.00 -1.21 0.00 0.00 61.69 60.87 3i4g s THR 505 Cb 0.00 -3.12 0.23 0.00 -1.51 0.00 0.00 72.50 68.10 3i4g s THR 505 CO 0.01 0.05 2.03 0.11 -2.21 0.00 0.00 174.62 174.60 3i4g h LYS 506 N 3.06 0.00 -3.21 7.08 1.57 -1.92 -3.42 116.57 119.74 3i4g h LYS 506 Ca -0.50 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.06 3i4g h LYS 506 Cb 1.24 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.25 3i4g h LYS 506 CO 0.64 0.16 -0.55 -2.00 -0.57 0.00 0.00 179.45 177.13 3i4g s GLU 507 N -4.44 0.15 0.16 3.15 2.12 -1.26 -5.10 118.70 113.47 3i4g s GLU 507 Ca -0.03 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 3i4g s GLU 507 Cb 0.15 -0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.36 3i4g s GLU 507 CO 0.65 -0.13 1.24 0.08 -0.54 0.00 0.00 175.26 176.56 3i4g s VAL 508 N 0.93 3.53 -0.13 3.70 1.01 -1.26 -4.27 120.40 123.91 3i4g s VAL 508 Ca -0.07 1.23 -0.32 0.00 0.00 0.00 0.00 61.98 62.82 3i4g s VAL 508 Cb -0.09 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3i4g s VAL 508 CO -0.05 0.17 2.02 -0.67 0.00 0.00 0.00 175.10 176.57 3i4g n ASP 509 N 2.89 3.40 0.05 3.32 2.03 -1.26 -4.84 116.55 122.14 3i4g n ASP 509 Ca 0.06 0.71 0.10 0.00 0.52 0.00 0.00 54.79 56.18 3i4g n ASP 509 Cb 0.44 -1.43 0.42 0.00 -0.72 0.00 0.00 41.12 39.83 3i4g n ASP 509 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3i4g n PRO 510 N 7.53 0.09 0.00 -0.67 -0.04 -1.26 -1.97 135.00 138.68 3i4g n PRO 510 Ca 0.26 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 64.12 3i4g n PRO 510 Cb 0.35 -1.65 0.60 0.00 -0.04 0.00 0.00 33.50 32.76 3i4g n PRO 510 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i4g n THR 511 N -1.81 0.00 -0.96 0.52 -2.24 -1.26 -4.94 114.28 103.59 3i4g n THR 511 Ca 0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3i4g n THR 511 Cb 0.24 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3i4g n THR 511 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4g n GLY 512 N 1.38 0.45 1.08 3.38 0.00 -0.83 -4.94 105.19 105.71 3i4g n GLY 512 Ca 0.11 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.61 3i4g n GLY 512 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4g n ASN 513 N 1.11 3.63 -2.46 1.61 4.13 -1.26 -4.97 115.26 117.04 3i4g n ASN 513 Ca 0.00 -2.08 -0.21 0.00 1.68 0.00 0.00 54.58 53.97 3i4g n ASN 513 Cb 0.00 -0.40 -0.01 0.00 -1.54 0.00 0.00 39.78 37.84 3i4g n ASN 513 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3i4g n TYR 514 N 1.07 -1.10 -2.54 3.10 4.02 -1.26 -4.35 117.16 116.10 3i4g n TYR 514 Ca 0.19 0.05 -0.39 0.00 -0.01 0.00 0.00 57.90 57.75 3i4g n TYR 514 Cb 0.58 -4.05 -0.04 0.00 -0.02 0.00 0.00 39.34 35.81 3i4g n TYR 514 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3i4g s ARG 515 N -5.12 4.48 0.24 -0.72 0.52 -1.26 -0.79 118.95 116.30 3i4g s ARG 515 Ca 0.03 1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 56.58 3i4g s ARG 515 Cb -0.01 -2.93 -0.09 0.00 0.52 0.00 0.00 34.95 32.43 3i4g s ARG 515 CO 0.04 0.11 1.33 -0.46 0.02 0.00 0.00 175.30 176.33 3i4g s TRP 516 N -1.37 3.18 -0.14 -0.53 -0.11 -0.82 -4.22 118.94 114.93 3i4g s TRP 516 Ca 0.49 1.23 -0.29 0.00 1.22 0.00 0.00 56.10 58.76 3i4g s TRP 516 Cb -0.27 -3.65 -0.01 0.00 -1.50 0.00 0.00 33.47 28.04 3i4g s TRP 516 CO 0.34 -1.99 1.16 -0.47 -4.62 0.00 0.00 176.95 171.37 3i4g s TYR 517 N -0.20 3.15 -0.27 5.86 5.04 -1.26 -0.06 117.35 129.62 3i4g s TYR 517 Ca 0.55 1.26 -0.14 0.00 -2.44 0.00 0.00 57.07 56.30 3i4g s TYR 517 Cb -0.38 -3.38 -0.11 0.00 0.35 0.00 0.00 41.96 38.44 3i4g s TYR 517 CO 0.42 -1.09 -0.36 0.28 -1.34 0.00 0.00 175.55 173.46 3i4g n VAL 518 N 5.04 1.52 -3.39 3.14 0.31 -0.28 -4.64 118.33 120.03 3i4g n VAL 518 Ca 0.12 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3i4g n VAL 518 Cb 0.46 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 3i4g n VAL 518 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i4g n GLY 519 N 1.28 -0.72 3.41 2.92 0.00 -1.06 -4.99 105.19 106.03 3i4g n GLY 519 Ca -0.50 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3i4g n GLY 519 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4g s LYS 520 N -0.77 1.22 0.11 1.61 -2.85 -1.26 0.05 119.74 117.85 3i4g s LYS 520 Ca 0.00 -0.95 0.04 0.00 -1.00 0.00 0.00 55.97 54.06 3i4g s LYS 520 Cb 0.00 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 3i4g s LYS 520 CO 0.00 -0.49 -0.10 1.03 0.10 0.00 0.00 175.35 175.89 3i4g s ARG 521 N -3.89 0.92 -0.38 1.78 0.52 -0.84 -4.94 118.95 112.11 3i4g s ARG 521 Ca 0.11 -1.24 0.11 0.00 -0.52 0.00 0.00 55.73 54.19 3i4g s ARG 521 Cb 0.01 -0.59 0.35 0.00 0.52 0.00 0.00 34.95 35.24 3i4g s ARG 521 CO -0.04 0.09 0.78 0.00 0.02 0.00 0.00 175.30 176.15 3i4g n ALA 522 N 0.36 1.72 -1.60 2.13 0.00 0.15 -3.43 120.51 119.84 3i4g n ALA 522 Ca -0.14 -3.17 -0.48 0.00 0.00 0.00 0.00 53.44 49.65 3i4g n ALA 522 Cb 0.58 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 3i4g n ALA 522 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i4g n PHE 523 N 0.28 1.49 -3.43 0.00 -0.00 -0.72 -4.00 117.46 111.08 3i4g n PHE 523 Ca 0.22 0.62 -0.38 0.00 -0.00 0.00 0.00 57.45 57.92 3i4g n PHE 523 Cb 0.67 -2.32 -0.07 0.00 -0.00 0.00 0.00 39.48 37.75 3i4g n PHE 523 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3i4g s ARG 524 N -0.28 4.19 -0.29 -4.13 0.52 -1.26 -4.84 118.95 112.85 3i4g s ARG 524 Ca 0.73 0.16 -0.12 0.00 -0.52 0.00 0.00 55.73 55.98 3i4g s ARG 524 Cb -0.82 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.10 3i4g s ARG 524 CO 0.51 0.03 0.24 1.21 0.02 0.00 0.00 175.30 177.30 3i4g s ASN 525 N 0.92 6.07 0.00 0.23 2.47 -1.26 -0.68 114.94 122.69 3i4g s ASN 525 Ca 0.18 -0.03 0.23 0.00 0.42 0.00 0.00 52.86 53.66 3i4g s ASN 525 Cb -0.14 -2.14 0.16 0.00 -1.45 0.00 0.00 41.25 37.68 3i4g s ASN 525 CO 0.07 -0.11 1.18 -0.81 -3.72 0.00 0.00 177.10 173.71 3i4g n PRO 526 N 5.13 0.55 -0.24 0.43 -0.04 -1.26 -4.99 135.00 134.58 3i4g n PRO 526 Ca -0.13 -0.42 0.04 0.00 -0.04 0.00 0.00 63.50 62.96 3i4g n PRO 526 Cb 0.51 -1.49 0.17 0.00 -0.04 0.00 0.00 33.50 32.65 3i4g n PRO 526 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i4g h THR 527 N 1.02 0.62 0.00 0.52 2.02 -1.81 -1.59 112.91 113.68 3i4g h THR 527 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3i4g h THR 527 Cb 0.58 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3i4g h THR 527 CO 0.00 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.43 3i4g n ASP 528 N -5.06 0.00 0.04 4.18 8.00 0.14 -2.09 116.55 121.76 3i4g n ASP 528 Ca 0.13 -1.02 0.10 0.00 0.71 0.00 0.00 54.79 54.72 3i4g n ASP 528 Cb 0.40 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.93 3i4g n ASP 528 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i4g n TYR 529 N -0.99 0.30 -4.31 1.24 4.01 -0.60 -4.72 117.16 112.09 3i4g n TYR 529 Ca 0.23 0.11 -0.21 0.00 -0.16 0.00 0.00 57.90 57.87 3i4g n TYR 529 Cb 0.11 -0.67 -0.16 0.00 -0.31 0.00 0.00 39.34 38.30 3i4g n TYR 529 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i4g s THR 530 N -3.09 0.72 0.21 -0.72 2.01 -0.89 -4.88 115.64 109.00 3i4g s THR 530 Ca 0.08 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 3i4g s THR 530 Cb 0.12 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 3i4g s THR 530 CO 0.38 0.26 0.88 0.26 -0.69 0.00 0.00 174.62 175.71 3i4g s TRP 531 N 0.75 3.95 0.64 4.92 0.51 0.39 -4.97 118.94 125.13 3i4g s TRP 531 Ca -0.12 1.80 -0.15 0.00 -2.12 0.00 0.00 56.10 55.51 3i4g s TRP 531 Cb -0.14 -2.90 -0.01 0.00 -0.81 0.00 0.00 33.47 29.61 3i4g s TRP 531 CO 0.01 0.47 1.10 -1.25 -0.51 0.00 0.00 176.95 176.78 3i4g s PRO 532 N -1.13 2.94 0.30 4.98 0.04 -1.26 -4.44 135.00 136.42 3i4g s PRO 532 Ca 0.39 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 3i4g s PRO 532 Cb -0.25 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 3i4g s PRO 532 CO 0.30 -1.14 1.56 0.42 0.04 0.00 0.00 177.00 178.18 3i4g s ILE 533 N -2.31 2.13 0.39 0.56 -1.09 -1.26 -4.90 121.20 114.72 3i4g s ILE 533 Ca 0.67 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.94 3i4g s ILE 533 Cb -0.20 -3.07 -0.11 0.00 -1.58 0.00 0.00 42.46 37.50 3i4g s ILE 533 CO 0.39 0.02 1.22 -2.65 -1.23 0.00 0.00 174.94 172.69 3i4g n PRO 534 N 1.99 1.85 -0.33 2.79 -0.02 -1.26 -4.75 135.00 135.27 3i4g n PRO 534 Ca 0.07 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.25 3i4g n PRO 534 Cb 0.38 -2.28 0.22 0.00 -0.02 0.00 0.00 33.50 31.80 3i4g n PRO 534 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3i4g h GLN 535 N 2.12 1.03 -0.32 -0.52 5.75 -1.35 -0.92 115.11 120.90 3i4g h GLN 535 Ca -0.46 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 3i4g h GLN 535 Cb 1.30 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 3i4g h GLN 535 CO 0.60 0.68 0.12 0.66 -2.65 0.00 0.00 178.83 178.25 3i4g h SER 536 N 1.06 0.40 0.42 -0.69 4.64 -1.89 -0.50 113.55 117.00 3i4g h SER 536 Ca 0.42 -0.04 -0.29 0.00 -0.47 0.00 0.00 61.79 61.42 3i4g h SER 536 Cb 0.25 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3i4g h SER 536 CO -0.17 0.38 -1.25 -0.33 -0.87 0.00 0.00 176.83 174.58 3i4g h GLU 537 N 0.45 0.42 -0.85 4.77 4.39 -1.54 -2.48 114.58 119.74 3i4g h GLU 537 Ca 0.11 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3i4g h GLU 537 Cb 0.10 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3i4g h GLU 537 CO -0.01 1.28 0.55 1.96 -1.16 0.00 0.00 179.01 181.63 3i4g h GLN 538 N 0.15 1.13 -0.42 2.33 4.20 -1.02 -1.33 115.11 120.16 3i4g h GLN 538 Ca -0.16 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.34 3i4g h GLN 538 Cb 1.95 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 3i4g h GLN 538 CO 0.22 0.76 -0.25 -0.91 -0.67 0.00 0.00 178.83 177.98 3i4g h ASN 539 N 1.16 0.89 1.07 1.46 2.35 -0.99 -3.26 115.58 118.26 3i4g h ASN 539 Ca 0.31 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 3i4g h ASN 539 Cb -0.11 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 3i4g h ASN 539 CO -0.06 1.09 -0.97 -0.29 -1.65 0.00 0.00 177.43 175.55 3i4g h ILE 540 N 0.74 0.27 -3.38 2.81 2.10 -1.28 -3.43 117.51 115.36 3i4g h ILE 540 Ca 0.09 -1.49 -0.61 0.00 1.08 0.00 0.00 64.86 63.93 3i4g h ILE 540 Cb 0.80 1.85 -0.40 0.00 -1.09 0.00 0.00 36.82 37.98 3i4g h ILE 540 CO 0.07 0.16 -0.74 0.21 -1.08 0.00 0.00 178.15 176.76 3i4g s ASN 541 N -5.73 4.30 0.64 2.19 3.84 -0.52 -4.86 114.94 114.80 3i4g s ASN 541 Ca 0.00 -1.81 0.29 0.00 0.21 0.00 0.00 52.86 51.55 3i4g s ASN 541 Cb 0.08 -1.16 1.56 0.00 -0.55 0.00 0.00 41.25 41.18 3i4g s ASN 541 CO 0.78 -0.39 1.90 -0.65 -2.79 0.00 0.00 177.10 175.95 3i4g h PRO 542 N 7.90 0.00 0.00 0.43 0.11 -1.83 -0.91 132.00 137.70 3i4g h PRO 542 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3i4g h PRO 542 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3i4g h PRO 542 CO 0.49 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 3i4g n ASN 543 N -3.13 0.66 -1.26 -2.05 3.02 -1.26 -2.94 115.26 108.31 3i4g n ASN 543 Ca 0.01 0.63 0.10 0.00 -0.03 0.00 0.00 54.58 55.29 3i4g n ASN 543 Cb 0.46 -0.78 0.30 0.00 -0.61 0.00 0.00 39.78 39.15 3i4g n ASN 543 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i4g n LEU 544 N -2.19 3.91 -0.68 3.41 4.77 -0.35 -4.53 117.00 121.34 3i4g n LEU 544 Ca 0.03 -2.10 0.13 0.00 -0.03 0.00 0.00 56.01 54.05 3i4g n LEU 544 Cb 0.29 -0.46 0.34 0.00 -2.33 0.00 0.00 43.42 41.26 3i4g n LEU 544 CO 0.23 0.91 0.77 0.54 -1.33 0.00 0.00 177.39 178.50