#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mi3 h PRO 25 N 0.00 0.54 0.00 1.20 0.11 -2.07 -0.35 132.00 131.43 3mi3 h PRO 25 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3mi3 h PRO 25 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3mi3 h PRO 25 CO 0.00 0.36 0.00 0.66 -0.21 0.00 0.00 178.00 178.81 3mi3 h SER 26 N 0.56 0.00 -0.27 -2.05 4.64 -2.02 -1.93 113.55 112.48 3mi3 h SER 26 Ca 0.64 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 62.04 3mi3 h SER 26 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3mi3 h SER 26 CO -0.46 0.00 0.28 0.44 -0.87 0.00 0.00 176.83 176.22 3mi3 h ASP 27 N 0.00 0.00 0.45 4.97 5.19 -1.41 -1.13 116.42 124.50 3mi3 h ASP 27 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3mi3 h ASP 27 Cb 0.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 3mi3 h ASP 27 CO 0.00 0.00 -0.20 0.15 -3.12 0.00 0.00 179.24 176.07 3mi3 h PHE 28 N 0.00 0.00 0.00 4.55 3.57 -1.49 -2.77 116.94 120.80 3mi3 h PHE 28 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3mi3 h PHE 28 Cb 0.68 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3mi3 h PHE 28 CO 0.00 0.20 -0.71 1.28 -2.23 0.00 0.00 178.31 176.85 3mi3 n LEU 29 N -3.73 0.62 -4.73 0.59 4.77 -0.43 -4.94 117.00 109.14 3mi3 n LEU 29 Ca -0.02 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 3mi3 n LEU 29 Cb 0.31 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3mi3 n LEU 29 CO 0.33 0.03 1.24 -0.55 -1.33 0.00 0.00 177.39 177.11 3mi3 s SER 30 N -3.77 6.49 -0.22 -1.43 0.15 -1.05 -3.50 113.70 110.37 3mi3 s SER 30 Ca 0.07 2.79 0.15 0.00 0.70 0.00 0.00 55.95 59.66 3mi3 s SER 30 Cb 0.15 -2.61 0.68 0.00 -1.71 0.00 0.00 66.02 62.52 3mi3 s SER 30 CO 0.74 -0.86 1.60 0.54 1.20 0.00 0.00 173.24 176.46 3mi3 n ARG 31 N 3.04 3.86 0.29 5.44 5.12 0.71 -4.74 116.66 130.37 3mi3 n ARG 31 Ca 0.11 -3.02 0.14 0.00 -1.93 0.00 0.00 57.85 53.15 3mi3 n ARG 31 Cb 0.38 -2.06 0.85 0.00 -1.16 0.00 0.00 32.46 30.47 3mi3 n ARG 31 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3mi3 h VAL 32 N 2.84 0.63 -0.33 1.55 -1.51 -1.91 -1.83 116.25 115.69 3mi3 h VAL 32 Ca 0.02 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.25 3mi3 h VAL 32 Cb 1.75 1.00 -0.21 0.00 -2.13 0.00 0.00 31.29 31.70 3mi3 h VAL 32 CO 0.38 0.00 -0.67 -0.46 -1.23 0.00 0.00 177.57 175.59 3mi3 n ASN 33 N -4.01 3.02 -2.72 4.19 0.23 -1.26 -4.82 115.26 109.89 3mi3 n ASN 33 Ca -0.03 -3.71 -0.04 0.00 -0.53 0.00 0.00 54.58 50.27 3mi3 n ASN 33 Cb 0.09 -0.44 0.03 0.00 -2.08 0.00 0.00 39.78 37.38 3mi3 n ASN 33 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3mi3 n ASN 34 N -0.87 -2.54 -4.07 0.53 5.15 -0.69 -5.06 115.26 107.72 3mi3 n ASN 34 Ca 0.29 -2.20 -0.10 0.00 -0.60 0.00 0.00 54.58 51.97 3mi3 n ASN 34 Cb 0.83 1.33 -0.08 0.00 -0.53 0.00 0.00 39.78 41.33 3mi3 n ASN 34 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3mi3 s PHE 35 N 0.82 0.69 0.08 1.20 -0.71 -1.24 -4.76 117.98 114.06 3mi3 s PHE 35 Ca 0.28 -1.00 0.08 0.00 -1.04 0.00 0.00 56.93 55.25 3mi3 s PHE 35 Cb 0.09 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 3mi3 s PHE 35 CO -0.10 -0.77 -0.20 -1.12 -1.34 0.00 0.00 175.22 171.70 3mi3 s SER 36 N -3.06 3.71 -0.16 1.98 0.01 -0.06 -5.02 113.70 111.10 3mi3 s SER 36 Ca 0.27 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 3mi3 s SER 36 Cb 0.04 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 3mi3 s SER 36 CO 0.07 0.22 0.20 -0.63 0.41 0.00 0.00 173.24 173.52 3mi3 s ILE 37 N -1.00 5.37 -0.47 1.44 1.01 -1.26 -1.56 121.20 124.73 3mi3 s ILE 37 Ca 0.15 0.35 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 3mi3 s ILE 37 Cb -0.10 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.94 3mi3 s ILE 37 CO 0.07 0.47 0.37 -0.63 0.00 0.00 0.00 174.94 175.21 3mi3 s ILE 38 N 0.00 4.72 -0.13 2.92 1.01 -0.00 -2.37 121.20 127.35 3mi3 s ILE 38 Ca 0.13 -1.40 -0.27 0.00 0.00 0.00 0.00 60.65 59.11 3mi3 s ILE 38 Cb -0.12 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3mi3 s ILE 38 CO 0.02 -0.65 0.91 -0.70 0.00 0.00 0.00 174.94 174.52 3mi3 s GLU 39 N 1.51 4.37 -0.11 2.79 -6.30 -0.10 -1.73 118.70 119.13 3mi3 s GLU 39 Ca 0.04 1.19 0.15 0.00 -2.50 0.00 0.00 54.97 53.86 3mi3 s GLU 39 Cb -0.25 -3.55 0.26 0.00 0.00 0.00 0.00 34.13 30.59 3mi3 s GLU 39 CO 0.03 -0.29 1.15 0.45 0.02 0.00 0.00 175.26 176.62 3mi3 n SER 40 N 5.00 2.42 -0.07 -1.70 2.88 0.89 -0.10 113.62 122.94 3mi3 n SER 40 Ca 0.06 -2.88 0.08 0.00 -1.33 0.00 0.00 58.87 54.81 3mi3 n SER 40 Cb 0.49 -0.36 0.45 0.00 -0.75 0.00 0.00 64.21 64.04 3mi3 n SER 40 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3mi3 h THR 41 N 0.18 0.98 -0.49 2.46 2.02 -1.85 0.16 112.91 116.37 3mi3 h THR 41 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3mi3 h THR 41 Cb 0.94 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3mi3 h THR 41 CO 0.02 0.09 0.00 0.18 0.37 0.00 0.00 175.52 176.18 3mi3 n LEU 42 N -4.47 3.52 0.00 2.58 4.77 -1.26 -2.72 117.00 119.41 3mi3 n LEU 42 Ca 0.08 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 3mi3 n LEU 42 Cb 0.25 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3mi3 n LEU 42 CO 0.34 0.64 0.00 -1.14 -1.33 0.00 0.00 177.39 175.90 3mi3 n ARG 43 N 0.82 0.00 -0.28 3.23 0.00 -0.35 -1.78 116.66 118.29 3mi3 n ARG 43 Ca 0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.09 3mi3 n ARG 43 Cb 0.65 0.00 0.19 0.00 0.00 0.00 0.00 32.46 33.30 3mi3 n ARG 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3mi3 h GLU 44 N 0.00 0.65 0.00 -0.14 4.57 -1.00 -2.73 114.58 115.92 3mi3 h GLU 44 Ca 0.00 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3mi3 h GLU 44 Cb 0.00 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3mi3 h GLU 44 CO 0.00 0.43 -0.12 0.78 -1.18 0.00 0.00 179.01 178.92 3mi3 h GLY 45 N 0.67 0.00 2.00 1.92 0.00 -1.02 -0.97 103.07 105.68 3mi3 h GLY 45 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3mi3 h GLY 45 CO -0.31 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.06 3mi3 h GLU 46 N 0.00 0.00 -0.00 4.80 5.08 -1.51 -0.97 114.58 121.98 3mi3 h GLU 46 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mi3 h GLU 46 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3mi3 h GLU 46 CO 0.02 0.00 -0.02 1.04 -1.00 0.00 0.00 179.01 179.05 3mi3 n GLN 47 N -2.83 0.69 -2.00 2.33 6.02 -0.37 -4.78 117.38 116.43 3mi3 n GLN 47 Ca 0.00 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.52 3mi3 n GLN 47 Cb 0.24 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 3mi3 n GLN 47 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3mi3 s PHE 48 N -2.36 2.96 0.33 1.08 5.36 -0.37 -3.67 117.98 121.32 3mi3 s PHE 48 Ca 0.35 1.14 0.12 0.00 -0.96 0.00 0.00 56.93 57.58 3mi3 s PHE 48 Cb 0.21 -3.82 0.99 0.00 -0.34 0.00 0.00 43.02 40.06 3mi3 s PHE 48 CO 0.43 -2.53 1.70 0.00 -1.46 0.00 0.00 175.22 173.36 3mi3 h ALA 49 N 4.31 1.88 -0.33 11.12 0.00 -1.88 -1.78 119.26 132.58 3mi3 h ALA 49 Ca -0.47 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3mi3 h ALA 49 Cb 1.22 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3mi3 h ALA 49 CO 0.73 -0.42 0.01 -1.71 0.00 0.00 0.00 179.25 177.86 3mi3 n ASN 50 N -4.95 3.64 -4.65 0.00 5.15 -1.26 -4.98 115.26 108.20 3mi3 n ASN 50 Ca 0.29 -3.22 -0.38 0.00 -0.60 0.00 0.00 54.58 50.67 3mi3 n ASN 50 Cb 0.86 -0.59 -0.08 0.00 -0.53 0.00 0.00 39.78 39.45 3mi3 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mi3 s ALA 51 N -2.95 3.56 -0.36 5.20 0.00 -0.67 -4.50 121.76 122.04 3mi3 s ALA 51 Ca 0.44 -0.60 0.13 0.00 0.00 0.00 0.00 51.96 51.93 3mi3 s ALA 51 Cb 0.37 -2.66 0.38 0.00 0.00 0.00 0.00 23.12 21.20 3mi3 s ALA 51 CO 0.07 -0.41 0.83 1.19 0.00 0.00 0.00 175.76 177.44 3mi3 n PHE 52 N 4.73 0.18 -1.92 0.00 3.72 -1.26 -4.87 117.46 118.05 3mi3 n PHE 52 Ca -0.08 -3.39 -0.42 0.00 -0.05 0.00 0.00 57.45 53.51 3mi3 n PHE 52 Cb 0.51 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 3mi3 n PHE 52 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3mi3 s PHE 53 N -2.38 2.96 0.51 1.38 0.08 -1.26 -5.02 117.98 114.24 3mi3 s PHE 53 Ca 0.35 0.82 -0.00 0.00 0.12 0.00 0.00 56.93 58.22 3mi3 s PHE 53 Cb 0.38 -3.93 0.01 0.00 -0.57 0.00 0.00 43.02 38.91 3mi3 s PHE 53 CO -0.05 -3.19 0.74 0.16 -0.10 0.00 0.00 175.22 172.79 3mi3 s ASP 54 N 0.65 5.55 0.24 1.36 -4.77 -1.26 -4.90 116.67 113.53 3mi3 s ASP 54 Ca 0.64 0.21 -0.14 0.00 -3.30 0.00 0.00 52.55 49.97 3mi3 s ASP 54 Cb -0.44 -1.27 0.30 0.00 -1.09 0.00 0.00 42.92 40.42 3mi3 s ASP 54 CO 0.41 -0.94 1.58 0.74 0.70 0.00 0.00 175.17 177.65 3mi3 h THR 55 N 0.18 0.12 -0.97 2.11 2.02 -1.96 -0.95 112.91 113.46 3mi3 h THR 55 Ca -0.44 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.82 3mi3 h THR 55 Cb 1.27 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 3mi3 h THR 55 CO 0.56 0.00 0.62 -0.08 0.37 0.00 0.00 175.52 176.99 3mi3 h GLU 56 N -0.03 1.01 0.07 6.66 4.22 -1.99 -1.95 114.58 122.57 3mi3 h GLU 56 Ca 0.37 -0.06 -0.25 0.00 0.08 0.00 0.00 59.36 59.49 3mi3 h GLU 56 Cb 0.61 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3mi3 h GLU 56 CO -0.87 0.67 -1.21 -0.22 -2.18 0.00 0.00 179.01 175.19 3mi3 h LYS 57 N 1.04 0.15 -0.43 1.92 1.63 -1.60 -2.34 116.57 116.93 3mi3 h LYS 57 Ca 0.44 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 3mi3 h LYS 57 Cb 0.32 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3mi3 h LYS 57 CO -0.20 1.08 0.16 0.87 -3.45 0.00 0.00 179.45 177.91 3mi3 h LYS 58 N 0.04 0.66 -0.40 1.90 1.57 -1.12 -2.20 116.57 117.02 3mi3 h LYS 58 Ca -0.11 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3mi3 h LYS 58 Cb 1.90 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.09 3mi3 h LYS 58 CO 0.16 0.62 0.24 0.82 -0.57 0.00 0.00 179.45 180.73 3mi3 h ILE 59 N 0.56 1.13 -0.45 1.86 2.04 -1.38 0.14 117.51 121.40 3mi3 h ILE 59 Ca 0.14 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3mi3 h ILE 59 Cb 0.22 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3mi3 h ILE 59 CO -0.01 0.13 0.17 1.56 0.00 0.00 0.00 178.15 180.00 3mi3 h GLN 60 N 0.53 0.35 -0.45 2.37 4.20 -1.35 -1.40 115.11 119.35 3mi3 h GLN 60 Ca 0.14 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3mi3 h GLN 60 Cb -0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3mi3 h GLN 60 CO -0.03 0.23 -0.06 0.82 -0.67 0.00 0.00 178.83 179.12 3mi3 h ILE 61 N 0.36 1.27 -0.45 2.54 2.04 -1.06 -2.00 117.51 120.20 3mi3 h ILE 61 Ca 0.21 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3mi3 h ILE 61 Cb 0.18 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3mi3 h ILE 61 CO -0.19 0.39 0.25 0.00 0.00 0.00 0.00 178.15 178.60 3mi3 h ALA 62 N 0.88 0.58 -0.61 1.87 0.00 -0.52 0.20 119.26 121.67 3mi3 h ALA 62 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3mi3 h ALA 62 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3mi3 h ALA 62 CO 0.04 0.09 0.30 0.87 0.00 0.00 0.00 179.25 180.55 3mi3 h LYS 63 N 0.59 0.87 -0.18 0.00 1.57 -1.22 -1.95 116.57 116.25 3mi3 h LYS 63 Ca 0.16 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3mi3 h LYS 63 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3mi3 h LYS 63 CO -0.03 0.69 -0.45 0.00 -0.57 0.00 0.00 179.45 179.09 3mi3 h ALA 64 N 1.13 0.89 -0.36 3.86 0.00 -1.16 -1.78 119.26 121.84 3mi3 h ALA 64 Ca 0.21 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3mi3 h ALA 64 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mi3 h ALA 64 CO -0.03 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.59 3mi3 h LEU 65 N 0.36 0.70 -0.23 0.00 3.38 -0.84 -1.45 115.31 117.23 3mi3 h LEU 65 Ca 0.02 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3mi3 h LEU 65 Cb 0.94 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3mi3 h LEU 65 CO 0.08 0.90 -0.15 -0.78 0.09 0.00 0.00 178.44 178.58 3mi3 h ASP 66 N 0.61 0.54 0.33 -0.43 3.58 -1.19 -2.51 116.42 117.35 3mi3 h ASP 66 Ca 0.09 -0.43 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 3mi3 h ASP 66 Cb 0.68 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3mi3 h ASP 66 CO 0.05 0.85 -0.28 -1.13 -2.88 0.00 0.00 179.24 175.85 3mi3 h ASN 67 N 0.22 0.00 0.02 2.28 -1.24 -1.28 -2.71 115.58 112.88 3mi3 h ASN 67 Ca 0.05 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 3mi3 h ASN 67 Cb 0.67 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 3mi3 h ASN 67 CO 0.04 0.28 -0.30 0.15 -1.29 0.00 0.00 177.43 176.31 3mi3 h PHE 68 N 0.00 0.47 0.00 0.67 3.57 -1.02 -3.43 116.94 117.19 3mi3 h PHE 68 Ca -0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3mi3 h PHE 68 Cb 0.52 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3mi3 h PHE 68 CO 0.00 0.67 0.00 0.41 -2.23 0.00 0.00 178.31 177.16 3mi3 n GLY 69 N -0.32 1.50 3.75 2.40 0.00 -0.97 -1.18 105.19 110.37 3mi3 n GLY 69 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3mi3 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mi3 s VAL 70 N -2.00 2.51 0.09 1.61 -7.23 -1.18 -4.86 120.40 109.34 3mi3 s VAL 70 Ca 0.00 0.35 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 3mi3 s VAL 70 Cb 0.00 -3.16 -0.22 0.00 0.56 0.00 0.00 36.38 33.56 3mi3 s VAL 70 CO 0.00 -0.04 1.16 0.44 -0.31 0.00 0.00 175.10 176.35 3mi3 h ASP 71 N 1.25 0.04 -4.29 4.85 3.32 -1.93 -3.41 116.42 116.26 3mi3 h ASP 71 Ca -0.50 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.24 3mi3 h ASP 71 Cb 1.29 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.58 3mi3 h ASP 71 CO 0.57 1.04 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.08 3mi3 s TYR 72 N -2.69 0.39 -0.04 4.55 2.02 -1.00 -0.41 117.35 120.17 3mi3 s TYR 72 Ca -0.00 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3mi3 s TYR 72 Cb 0.09 -0.25 -0.02 0.00 -0.40 0.00 0.00 41.96 41.39 3mi3 s TYR 72 CO 0.83 -0.06 -0.21 0.96 -1.57 0.00 0.00 175.55 175.50 3mi3 s ILE 73 N -0.67 2.45 -0.08 2.71 -4.36 -0.32 -0.92 121.20 120.00 3mi3 s ILE 73 Ca -0.05 -0.95 -0.03 0.00 -0.26 0.00 0.00 60.65 59.36 3mi3 s ILE 73 Cb -0.05 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 3mi3 s ILE 73 CO -0.00 0.58 0.07 -0.70 0.24 0.00 0.00 174.94 175.13 3mi3 s GLU 74 N -0.55 3.17 0.10 0.37 2.12 0.85 -0.28 118.70 124.49 3mi3 s GLU 74 Ca 0.08 -0.32 0.09 0.00 0.36 0.00 0.00 54.97 55.18 3mi3 s GLU 74 Cb -0.11 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 3mi3 s GLU 74 CO 0.00 0.72 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.74 3mi3 s LEU 75 N -1.12 2.60 0.14 2.70 1.43 0.80 -3.18 118.68 122.06 3mi3 s LEU 75 Ca 0.16 -0.56 -0.34 0.00 -1.03 0.00 0.00 54.13 52.35 3mi3 s LEU 75 Cb -0.12 -1.48 -0.16 0.00 0.03 0.00 0.00 46.19 44.46 3mi3 s LEU 75 CO 0.05 0.20 1.18 0.41 0.23 0.00 0.00 176.35 178.42 3mi3 n THR 76 N 1.01 0.64 -1.54 5.49 -1.04 -0.74 -4.14 114.28 113.96 3mi3 n THR 76 Ca -0.16 -0.16 -0.54 0.00 -2.04 0.00 0.00 64.05 61.15 3mi3 n THR 76 Cb 0.53 -0.76 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 3mi3 n THR 76 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mi3 n SER 77 N 2.11 0.72 0.03 8.00 2.88 -1.26 -4.86 113.62 121.23 3mi3 n SER 77 Ca 0.16 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.93 3mi3 n SER 77 Cb 0.22 -1.07 0.38 0.00 -0.75 0.00 0.00 64.21 62.99 3mi3 n SER 77 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mi3 n PRO 78 N 1.84 0.04 0.15 -1.46 -0.04 -1.26 -1.44 135.00 132.84 3mi3 n PRO 78 Ca 0.18 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3mi3 n PRO 78 Cb 0.17 -1.58 0.29 0.00 -0.04 0.00 0.00 33.50 32.34 3mi3 n PRO 78 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3mi3 h VAL 79 N 0.00 0.00 -0.48 0.52 -1.51 -1.90 -3.18 116.25 109.69 3mi3 h VAL 79 Ca 0.00 -0.70 0.10 0.00 -1.23 0.00 0.00 66.70 64.86 3mi3 h VAL 79 Cb 0.31 1.68 -0.10 0.00 -2.13 0.00 0.00 31.29 31.06 3mi3 h VAL 79 CO 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 177.57 176.18 3mi3 h ALA 80 N 2.30 0.24 -2.95 5.19 0.00 -1.60 -3.46 119.26 118.97 3mi3 h ALA 80 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3mi3 h ALA 80 Cb 0.85 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3mi3 h ALA 80 CO 0.00 -0.49 0.26 -1.54 0.00 0.00 0.00 179.25 177.48 3mi3 s SER 81 N -5.19 -0.19 0.09 0.00 1.04 -1.26 -5.01 113.70 103.18 3mi3 s SER 81 Ca -0.14 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.34 3mi3 s SER 81 Cb 0.16 0.74 -0.13 0.00 0.10 0.00 0.00 66.02 66.89 3mi3 s SER 81 CO 0.71 -1.40 1.72 -0.08 0.98 0.00 0.00 173.24 175.17 3mi3 h GLU 82 N 2.00 0.07 -0.78 4.02 4.57 -1.88 -1.52 114.58 121.06 3mi3 h GLU 82 Ca -0.23 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 3mi3 h GLU 82 Cb 1.25 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.79 3mi3 h GLU 82 CO 0.28 0.08 0.41 0.37 -1.18 0.00 0.00 179.01 178.97 3mi3 h GLN 83 N 0.04 1.09 -0.42 1.92 5.75 -1.97 -0.34 115.11 121.18 3mi3 h GLN 83 Ca 0.02 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3mi3 h GLN 83 Cb 0.03 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3mi3 h GLN 83 CO -0.00 0.81 0.22 1.03 -2.65 0.00 0.00 178.83 178.23 3mi3 h SER 84 N 1.09 0.32 -0.66 -0.69 0.87 -1.84 -0.40 113.55 112.25 3mi3 h SER 84 Ca 0.27 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3mi3 h SER 84 Cb 0.05 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3mi3 h SER 84 CO -0.04 0.23 0.30 -0.09 -0.53 0.00 0.00 176.83 176.70 3mi3 h ARG 85 N 0.44 0.96 -0.71 2.24 2.43 -0.54 -2.43 114.38 116.77 3mi3 h ARG 85 Ca 0.18 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3mi3 h ARG 85 Cb 0.07 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3mi3 h ARG 85 CO -0.12 0.78 0.25 1.96 -1.51 0.00 0.00 179.97 181.33 3mi3 h GLN 86 N 0.92 1.08 -0.03 0.20 4.20 -0.86 -2.38 115.11 118.24 3mi3 h GLN 86 Ca 0.22 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3mi3 h GLN 86 Cb 0.15 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3mi3 h GLN 86 CO -0.02 0.91 -0.71 -0.44 -0.67 0.00 0.00 178.83 177.90 3mi3 h ASP 87 N 1.03 0.21 -0.33 1.46 3.32 -1.02 -1.23 116.42 119.86 3mi3 h ASP 87 Ca 0.23 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3mi3 h ASP 87 Cb 0.26 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3mi3 h ASP 87 CO -0.01 0.85 -0.03 0.00 -1.72 0.00 0.00 179.24 178.33 3mi3 h GLU 89 N 0.40 0.97 -0.59 0.00 5.08 -1.15 -2.67 114.58 116.62 3mi3 h GLU 89 Ca 0.09 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3mi3 h GLU 89 Cb 0.50 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3mi3 h GLU 89 CO 0.02 0.65 0.08 0.00 -1.00 0.00 0.00 179.01 178.76 3mi3 h ALA 90 N 1.26 1.01 -0.07 3.43 0.00 -1.13 -2.99 119.26 120.78 3mi3 h ALA 90 Ca 0.27 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3mi3 h ALA 90 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3mi3 h ALA 90 CO -0.06 0.62 -0.72 0.82 0.00 0.00 0.00 179.25 179.91 3mi3 h ILE 91 N 0.91 1.40 0.00 0.00 2.04 -1.21 -2.54 117.51 118.10 3mi3 h ILE 91 Ca 0.18 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.87 3mi3 h ILE 91 Cb 0.43 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3mi3 h ILE 91 CO 0.01 0.65 0.00 0.00 0.00 0.00 0.00 178.15 178.81 3mi3 n LYS 93 N -2.28 1.24 0.11 0.00 5.02 -0.96 -4.42 118.16 116.87 3mi3 n LYS 93 Ca 0.02 -0.93 0.12 0.00 -2.02 0.00 0.00 58.31 55.50 3mi3 n LYS 93 Cb 0.24 -1.48 0.46 0.00 -0.02 0.00 0.00 35.03 34.23 3mi3 n LYS 93 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3mi3 n LEU 94 N -0.07 0.68 -0.97 -0.35 4.77 -1.08 -4.93 117.00 115.06 3mi3 n LEU 94 Ca 0.11 0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 56.64 3mi3 n LEU 94 Cb 0.44 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3mi3 n LEU 94 CO 0.25 -0.40 -0.07 0.61 -1.33 0.00 0.00 177.39 176.45 3mi3 n GLY 95 N 0.50 0.12 3.79 -0.72 0.00 -1.26 -5.02 105.19 102.60 3mi3 n GLY 95 Ca 0.03 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 3mi3 n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mi3 s LEU 96 N -2.31 3.34 -0.07 0.99 1.43 -1.26 -4.98 118.68 115.81 3mi3 s LEU 96 Ca 0.03 1.86 -0.26 0.00 -1.03 0.00 0.00 54.13 54.73 3mi3 s LEU 96 Cb -0.01 -4.53 -0.24 0.00 0.03 0.00 0.00 46.19 41.43 3mi3 s LEU 96 CO 0.04 -1.50 0.99 0.07 0.23 0.00 0.00 176.35 176.18 3mi3 h LYS 97 N -0.09 0.09 -7.06 1.70 5.09 -1.95 -3.46 116.57 110.89 3mi3 h LYS 97 Ca -0.46 -0.10 -0.55 0.00 0.09 0.00 0.00 60.65 59.63 3mi3 h LYS 97 Cb 1.23 0.03 0.18 0.00 0.10 0.00 0.00 32.23 33.77 3mi3 h LYS 97 CO 0.55 0.88 0.23 0.00 -2.09 0.00 0.00 179.45 179.02 3mi3 s LYS 99 N -3.64 4.53 -0.27 0.00 1.02 0.45 -4.88 119.74 116.96 3mi3 s LYS 99 Ca 0.74 1.14 -0.10 0.00 0.02 0.00 0.00 55.97 57.77 3mi3 s LYS 99 Cb -0.33 -3.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3mi3 s LYS 99 CO 0.49 0.52 0.16 0.42 -0.92 0.00 0.00 175.35 176.03 3mi3 s ILE 100 N -1.25 5.16 0.18 2.17 -1.09 -1.26 -1.18 121.20 123.93 3mi3 s ILE 100 Ca 0.38 0.12 0.08 0.00 -2.23 0.00 0.00 60.65 58.99 3mi3 s ILE 100 Cb -0.22 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3mi3 s ILE 100 CO 0.25 0.28 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.48 3mi3 s LEU 101 N 1.60 3.28 0.00 2.97 1.43 0.62 -0.15 118.68 128.43 3mi3 s LEU 101 Ca 0.07 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3mi3 s LEU 101 Cb -0.15 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 3mi3 s LEU 101 CO 0.09 0.08 0.34 1.07 0.23 0.00 0.00 176.35 178.16 3mi3 n THR 102 N -0.17 0.00 -4.14 5.49 5.66 -0.61 -0.14 114.28 120.37 3mi3 n THR 102 Ca -0.10 -2.25 -0.11 0.00 -3.05 0.00 0.00 64.05 58.54 3mi3 n THR 102 Cb 0.55 1.18 -0.10 0.00 -1.55 0.00 0.00 70.33 70.41 3mi3 n THR 102 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 3mi3 s HIS 103 N -3.23 0.83 0.17 1.09 -3.43 -1.26 -0.68 115.29 108.79 3mi3 s HIS 103 Ca 0.37 -0.79 -0.01 0.00 -0.80 0.00 0.00 55.06 53.83 3mi3 s HIS 103 Cb 0.01 -0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 30.63 3mi3 s HIS 103 CO 0.26 -0.13 0.08 0.96 -2.00 0.00 0.00 174.74 173.92 3mi3 s ILE 104 N -2.96 0.17 0.91 -5.38 -4.36 0.16 -4.30 121.20 105.43 3mi3 s ILE 104 Ca 0.05 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.37 3mi3 s ILE 104 Cb 0.01 -2.28 0.13 0.00 1.25 0.00 0.00 42.46 41.57 3mi3 s ILE 104 CO -0.03 -0.24 1.09 -0.13 0.24 0.00 0.00 174.94 175.87 3mi3 s ARG 105 N -4.08 1.18 -1.48 0.37 0.52 -1.26 -2.10 118.95 112.10 3mi3 s ARG 105 Ca 0.31 0.75 -0.09 0.00 -0.52 0.00 0.00 55.73 56.18 3mi3 s ARG 105 Cb 0.07 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.75 3mi3 s ARG 105 CO 0.07 -2.28 2.57 0.00 0.02 0.00 0.00 175.30 175.69 3mi3 s HIS 107 N 1.29 0.98 0.25 0.00 3.76 -1.26 -4.90 115.29 115.41 3mi3 s HIS 107 Ca 0.59 -0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 55.23 3mi3 s HIS 107 Cb 0.17 -0.67 0.33 0.00 1.11 0.00 0.00 32.58 33.52 3mi3 s HIS 107 CO -0.07 -0.07 1.88 0.52 -0.85 0.00 0.00 174.74 176.16 3mi3 h MET 108 N 6.17 1.12 -0.48 1.40 2.86 -1.94 -2.59 114.93 121.47 3mi3 h MET 108 Ca -0.33 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.30 3mi3 h MET 108 Cb 1.17 -0.25 -0.07 0.00 0.06 0.00 0.00 31.60 32.51 3mi3 h MET 108 CO 0.49 0.74 -0.44 -0.44 1.06 0.00 0.00 176.91 178.32 3mi3 h ASP 109 N 1.15 -1.53 -0.98 1.22 3.45 -1.97 -1.92 116.42 115.85 3mi3 h ASP 109 Ca 0.39 0.21 0.07 0.00 0.43 0.00 0.00 57.03 58.13 3mi3 h ASP 109 Cb 0.07 0.64 -0.07 0.00 -0.56 0.00 0.00 39.33 39.42 3mi3 h ASP 109 CO -0.14 -0.26 0.63 0.44 -1.57 0.00 0.00 179.24 178.34 3mi3 h ASP 110 N -0.20 1.00 -0.14 6.45 5.19 -1.84 -2.73 116.42 124.15 3mi3 h ASP 110 Ca 0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3mi3 h ASP 110 Cb 0.41 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 3mi3 h ASP 110 CO -0.56 0.64 0.09 0.00 -3.12 0.00 0.00 179.24 176.29 3mi3 h ALA 111 N 1.47 0.18 -0.16 3.45 0.00 -1.04 -1.25 119.26 121.91 3mi3 h ALA 111 Ca 0.42 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.36 3mi3 h ALA 111 Cb 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3mi3 h ALA 111 CO -0.17 -0.32 -0.30 0.00 0.00 0.00 0.00 179.25 178.47 3mi3 h ARG 112 N 0.17 -0.34 -0.41 0.00 3.08 -1.07 -1.13 114.38 114.68 3mi3 h ARG 112 Ca 0.05 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.21 3mi3 h ARG 112 Cb 0.01 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.05 3mi3 h ARG 112 CO -0.01 -0.23 -0.17 0.28 -1.07 0.00 0.00 179.97 178.77 3mi3 h VAL 113 N -0.36 0.45 -0.21 2.04 2.07 -1.36 -2.70 116.25 116.19 3mi3 h VAL 113 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3mi3 h VAL 113 Cb 0.52 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3mi3 h VAL 113 CO -0.36 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.26 3mi3 h ALA 114 N 1.24 0.21 0.00 1.67 0.00 -0.62 -2.91 119.26 118.85 3mi3 h ALA 114 Ca 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3mi3 h ALA 114 Cb 0.40 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3mi3 h ALA 114 CO -0.48 -0.40 -0.21 -0.39 0.00 0.00 0.00 179.25 177.78 3mi3 h VAL 115 N 0.11 1.04 0.00 0.00 -1.51 -1.10 -2.49 116.25 112.31 3mi3 h VAL 115 Ca 0.10 -0.75 -0.05 0.00 -1.23 0.00 0.00 66.70 64.77 3mi3 h VAL 115 Cb 0.10 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 3mi3 h VAL 115 CO -0.14 0.21 -0.23 -0.33 -1.23 0.00 0.00 177.57 175.85 3mi3 h GLU 116 N 0.00 0.00 0.00 5.19 4.39 -1.28 -3.27 114.58 119.61 3mi3 h GLU 116 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3mi3 h GLU 116 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3mi3 h GLU 116 CO 0.03 0.23 -0.32 1.79 -1.16 0.00 0.00 179.01 179.58 3mi3 h THR 117 N 0.00 0.76 0.00 1.13 1.35 -1.40 -3.47 112.91 111.28 3mi3 h THR 117 Ca -0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3mi3 h THR 117 Cb 0.55 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3mi3 h THR 117 CO 0.03 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 3mi3 n GLY 118 N 0.19 1.01 3.74 5.82 0.00 -1.24 -4.39 105.19 110.33 3mi3 n GLY 118 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3mi3 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mi3 s VAL 119 N -2.00 2.81 -0.10 1.61 -7.23 -1.26 -4.88 120.40 109.35 3mi3 s VAL 119 Ca 0.00 0.37 0.14 0.00 -1.81 0.00 0.00 61.98 60.68 3mi3 s VAL 119 Cb 0.00 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.00 3mi3 s VAL 119 CO 0.00 -0.24 1.16 0.44 -0.31 0.00 0.00 175.10 176.15 3mi3 h ASP 120 N -0.29 0.00 -5.06 4.85 3.32 -0.93 -3.48 116.42 114.83 3mi3 h ASP 120 Ca -0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 3mi3 h ASP 120 Cb 1.27 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.65 3mi3 h ASP 120 CO 0.51 0.64 -0.28 -0.83 -1.72 0.00 0.00 179.24 177.56 3mi3 s GLY 121 N -4.65 -0.09 -0.08 2.75 0.00 -1.10 -1.96 107.32 102.19 3mi3 s GLY 121 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.69 3mi3 s GLY 121 CO 0.78 -0.26 -0.11 0.14 0.00 0.00 0.00 173.10 173.65 3mi3 s VAL 122 N -2.55 1.13 -0.19 1.40 1.01 -0.05 -1.57 120.40 119.58 3mi3 s VAL 122 Ca -0.05 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 3mi3 s VAL 122 Cb -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3mi3 s VAL 122 CO -0.03 0.36 0.47 -0.62 0.00 0.00 0.00 175.10 175.28 3mi3 s ASP 123 N 0.96 6.53 -0.33 3.32 2.15 0.14 -0.84 116.67 128.60 3mi3 s ASP 123 Ca -0.09 0.63 -0.18 0.00 0.43 0.00 0.00 52.55 53.34 3mi3 s ASP 123 Cb -0.15 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3mi3 s ASP 123 CO 0.00 -0.12 0.53 -0.69 -0.17 0.00 0.00 175.17 174.71 3mi3 s VAL 124 N 1.42 5.02 -0.14 1.11 1.01 0.69 -0.67 120.40 128.83 3mi3 s VAL 124 Ca 0.22 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 3mi3 s VAL 124 Cb -0.15 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3mi3 s VAL 124 CO 0.09 -0.15 -0.03 -0.69 0.00 0.00 0.00 175.10 174.32 3mi3 s VAL 125 N 2.41 3.98 0.27 2.92 1.01 -0.89 -0.67 120.40 129.43 3mi3 s VAL 125 Ca 0.20 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3mi3 s VAL 125 Cb -0.15 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 3mi3 s VAL 125 CO 0.13 0.51 -0.05 0.27 0.00 0.00 0.00 175.10 175.96 3mi3 s ILE 126 N 0.13 1.52 -0.07 2.22 -5.25 -0.30 -3.74 121.20 115.69 3mi3 s ILE 126 Ca -0.00 -2.10 -0.00 0.00 -0.99 0.00 0.00 60.65 57.55 3mi3 s ILE 126 Cb -0.13 -2.43 0.02 0.00 2.95 0.00 0.00 42.46 42.87 3mi3 s ILE 126 CO 0.03 -0.30 -0.05 -0.83 -1.79 0.00 0.00 174.94 171.99 3mi3 s GLY 127 N -3.41 0.60 -0.14 6.27 0.00 -1.26 -0.98 107.32 108.40 3mi3 s GLY 127 Ca 0.29 -0.26 0.17 0.00 0.00 0.00 0.00 44.72 44.93 3mi3 s GLY 127 CO 0.11 0.74 0.27 -1.30 0.00 0.00 0.00 173.10 172.92 3mi3 n THR 128 N 4.64 1.30 0.00 0.90 -2.24 -1.26 -5.02 114.28 112.60 3mi3 n THR 128 Ca -0.15 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 3mi3 n THR 128 Cb 0.50 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3mi3 n THR 128 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mi3 n SER 129 N -2.78 0.00 0.00 3.42 2.88 -1.26 -4.89 113.62 110.99 3mi3 n SER 129 Ca -0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 3mi3 n SER 129 Cb 1.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 3mi3 n SER 129 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 3mi3 n MET 141 N 0.00 0.00 0.15 -1.46 1.56 -1.26 -4.48 117.12 111.63 3mi3 n MET 141 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.44 3mi3 n MET 141 Cb 0.00 -0.05 0.33 0.00 2.15 0.00 0.00 33.22 35.65 3mi3 n MET 141 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3mi3 h THR 142 N 0.00 1.26 -0.74 1.12 1.03 -2.04 -3.27 112.91 110.27 3mi3 h THR 142 Ca 0.00 -1.24 -0.06 0.00 -0.01 0.00 0.00 66.41 65.10 3mi3 h THR 142 Cb 0.00 1.59 -0.03 0.00 -1.07 0.00 0.00 68.15 68.64 3mi3 h THR 142 CO 0.00 0.36 0.22 0.22 -0.01 0.00 0.00 175.52 176.31 3mi3 h TYR 143 N 0.10 1.20 0.08 0.00 3.20 -2.06 -3.15 116.97 116.35 3mi3 h TYR 143 Ca 0.01 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.77 3mi3 h TYR 143 Cb 0.64 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3mi3 h TYR 143 CO 0.01 0.96 -0.19 0.82 -1.64 0.00 0.00 178.16 178.11 3mi3 h ILE 144 N 1.10 0.56 -0.78 1.81 2.04 -2.00 -2.31 117.51 117.93 3mi3 h ILE 144 Ca 0.24 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.26 3mi3 h ILE 144 Cb 0.33 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 36.86 3mi3 h ILE 144 CO -0.00 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.79 3mi3 h ILE 145 N -0.35 0.54 -0.01 -0.67 2.04 -1.68 -1.17 117.51 116.21 3mi3 h ILE 145 Ca 0.03 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3mi3 h ILE 145 Cb 0.38 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3mi3 h ILE 145 CO -0.12 0.06 -0.01 0.44 0.00 0.00 0.00 178.15 178.52 3mi3 h ASP 146 N 0.34 0.02 -0.37 1.72 3.32 -1.50 -2.43 116.42 117.53 3mi3 h ASP 146 Ca 0.45 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3mi3 h ASP 146 Cb 0.76 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 3mi3 h ASP 146 CO -0.49 0.43 0.14 -1.28 -1.72 0.00 0.00 179.24 176.32 3mi3 h SER 147 N -0.38 0.17 -0.72 6.45 0.87 -1.24 -3.01 113.55 115.68 3mi3 h SER 147 Ca 0.00 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3mi3 h SER 147 Cb 0.42 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 3mi3 h SER 147 CO 0.00 0.13 0.48 0.00 -0.53 0.00 0.00 176.83 176.91 3mi3 h ALA 148 N 1.23 1.51 -0.49 6.23 0.00 -1.24 -2.79 119.26 123.71 3mi3 h ALA 148 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3mi3 h ALA 148 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mi3 h ALA 148 CO -0.16 0.44 0.21 1.15 0.00 0.00 0.00 179.25 180.89 3mi3 h THR 149 N 0.95 1.21 -0.56 0.00 2.02 -1.30 -1.46 112.91 113.76 3mi3 h THR 149 Ca 0.27 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3mi3 h THR 149 Cb -0.07 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3mi3 h THR 149 CO -0.06 0.24 0.26 -0.08 0.37 0.00 0.00 175.52 176.24 3mi3 h GLU 150 N 0.65 0.81 -0.20 6.66 4.81 -1.42 -1.98 114.58 123.91 3mi3 h GLU 150 Ca 0.16 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3mi3 h GLU 150 Cb 0.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3mi3 h GLU 150 CO -0.02 0.67 -0.49 0.28 -0.73 0.00 0.00 179.01 178.72 3mi3 h VAL 151 N 0.76 1.31 -0.49 0.32 2.07 -1.52 -2.27 116.25 116.43 3mi3 h VAL 151 Ca 0.19 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 3mi3 h VAL 151 Cb 0.13 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3mi3 h VAL 151 CO -0.02 0.54 0.28 0.40 0.02 0.00 0.00 177.57 178.79 3mi3 h ILE 152 N 0.39 1.16 -0.05 4.57 2.04 -1.19 -2.17 117.51 122.26 3mi3 h ILE 152 Ca -0.00 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 3mi3 h ILE 152 Cb 1.11 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3mi3 h ILE 152 CO 0.11 0.17 -0.67 0.78 0.00 0.00 0.00 178.15 178.54 3mi3 h ASN 153 N 0.66 0.25 0.10 1.72 2.35 -1.37 -1.36 115.58 117.93 3mi3 h ASN 153 Ca 0.18 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3mi3 h ASN 153 Cb 0.02 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3mi3 h ASN 153 CO -0.03 0.85 -0.05 0.15 -1.65 0.00 0.00 177.43 176.69 3mi3 h PHE 154 N 0.15 -0.13 -0.20 1.19 3.57 -1.30 0.09 116.94 120.31 3mi3 h PHE 154 Ca -0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3mi3 h PHE 154 Cb 1.20 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3mi3 h PHE 154 CO 0.02 -0.08 0.10 0.28 -2.23 0.00 0.00 178.31 176.40 3mi3 h VAL 155 N -0.14 1.11 -1.00 1.41 2.07 -1.28 -2.52 116.25 115.91 3mi3 h VAL 155 Ca -0.01 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3mi3 h VAL 155 Cb 0.11 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3mi3 h VAL 155 CO 0.02 0.11 0.65 0.11 0.02 0.00 0.00 177.57 178.48 3mi3 h LYS 156 N 0.20 1.17 0.00 1.57 1.57 -1.18 0.06 116.57 119.97 3mi3 h LYS 156 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3mi3 h LYS 156 Cb 0.08 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3mi3 h LYS 156 CO -0.01 0.78 -0.03 0.66 -0.57 0.00 0.00 179.45 180.27 3mi3 h SER 157 N 1.21 0.00 -0.08 0.86 4.64 -0.56 -1.74 113.55 117.88 3mi3 h SER 157 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3mi3 h SER 157 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3mi3 h SER 157 CO -0.15 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.13 3mi3 n LYS 158 N -3.21 1.45 -1.03 4.77 4.01 0.00 -4.91 118.16 119.24 3mi3 n LYS 158 Ca -0.01 -0.67 -0.01 0.00 -0.51 0.00 0.00 58.31 57.11 3mi3 n LYS 158 Cb 0.22 -1.39 -0.00 0.00 -0.51 0.00 0.00 35.03 33.35 3mi3 n LYS 158 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mi3 n GLY 159 N 1.03 0.49 3.68 0.72 0.00 -0.65 -5.04 105.19 105.42 3mi3 n GLY 159 Ca 0.17 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3mi3 n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mi3 s ILE 160 N -2.02 4.22 0.35 -0.61 -1.09 -1.18 -5.05 121.20 115.82 3mi3 s ILE 160 Ca 0.00 -0.46 -0.28 0.00 -2.23 0.00 0.00 60.65 57.67 3mi3 s ILE 160 Cb 0.00 -2.84 -0.10 0.00 -1.58 0.00 0.00 42.46 37.94 3mi3 s ILE 160 CO 0.00 0.46 1.33 -1.61 -1.23 0.00 0.00 174.94 173.89 3mi3 s GLU 161 N -1.31 4.25 -0.07 2.79 2.02 -0.83 -4.24 118.70 121.31 3mi3 s GLU 161 Ca 0.17 2.25 0.03 0.00 0.02 0.00 0.00 54.97 57.44 3mi3 s GLU 161 Cb -0.11 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.13 3mi3 s GLU 161 CO 0.07 -0.29 -0.15 0.54 0.02 0.00 0.00 175.26 175.45 3mi3 s VAL 162 N -1.16 1.37 0.12 2.63 0.11 -1.26 -0.87 120.40 121.33 3mi3 s VAL 162 Ca 0.51 -0.62 0.10 0.00 -2.93 0.00 0.00 61.98 59.04 3mi3 s VAL 162 Cb -0.40 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 3mi3 s VAL 162 CO 0.54 0.41 -0.23 -0.13 -3.33 0.00 0.00 175.10 172.35 3mi3 s ARG 163 N 0.57 1.61 -0.09 1.54 0.52 -0.02 -0.70 118.95 122.38 3mi3 s ARG 163 Ca -0.15 -1.25 0.02 0.00 -0.52 0.00 0.00 55.73 53.82 3mi3 s ARG 163 Cb -0.16 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.32 3mi3 s ARG 163 CO 0.05 0.47 -0.14 0.12 0.02 0.00 0.00 175.30 175.82 3mi3 s PHE 164 N -1.07 1.74 0.06 -0.53 5.36 -0.21 -0.22 117.98 123.09 3mi3 s PHE 164 Ca 0.15 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 3mi3 s PHE 164 Cb -0.10 -1.26 -0.04 0.00 -0.34 0.00 0.00 43.02 41.28 3mi3 s PHE 164 CO 0.07 -0.38 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.29 3mi3 s SER 165 N 0.83 0.64 0.08 6.13 0.01 0.16 -0.25 113.70 121.30 3mi3 s SER 165 Ca -0.11 -0.89 0.09 0.00 1.31 0.00 0.00 55.95 56.36 3mi3 s SER 165 Cb -0.15 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 3mi3 s SER 165 CO 0.01 -0.49 -0.24 -0.94 0.41 0.00 0.00 173.24 171.99 3mi3 s SER 166 N -2.63 3.43 -0.07 2.44 1.04 -1.11 -1.15 113.70 115.66 3mi3 s SER 166 Ca 0.03 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 55.72 3mi3 s SER 166 Cb 0.03 -0.36 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 3mi3 s SER 166 CO -0.07 0.22 0.33 -0.70 0.98 0.00 0.00 173.24 174.01 3mi3 s GLU 167 N -1.69 3.93 -1.18 4.02 2.12 -0.15 -3.12 118.70 122.62 3mi3 s GLU 167 Ca 0.14 0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.69 3mi3 s GLU 167 Cb -0.10 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 3mi3 s GLU 167 CO 0.05 0.57 0.94 -3.47 -0.54 0.00 0.00 175.26 172.81 3mi3 n ASP 168 N 2.36 -2.94 0.27 -1.70 2.03 -1.10 -4.11 116.55 111.37 3mi3 n ASP 168 Ca -0.14 -0.68 0.13 0.00 0.52 0.00 0.00 54.79 54.62 3mi3 n ASP 168 Cb 0.53 -4.95 0.78 0.00 -0.72 0.00 0.00 41.12 36.76 3mi3 n ASP 168 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3mi3 h SER 169 N -1.73 0.00 -0.03 1.67 0.02 -1.44 -2.46 113.55 109.59 3mi3 h SER 169 Ca -0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3mi3 h SER 169 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3mi3 h SER 169 CO 0.50 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.75 3mi3 n PHE 170 N -3.84 0.02 -1.43 3.45 3.72 -1.26 -3.41 117.46 114.71 3mi3 n PHE 170 Ca -0.02 -0.01 0.07 0.00 -0.05 0.00 0.00 57.45 57.43 3mi3 n PHE 170 Cb 0.16 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.81 3mi3 n PHE 170 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mi3 n ARG 171 N 0.30 0.91 -4.05 -1.08 1.74 -0.94 -5.03 116.66 108.52 3mi3 n ARG 171 Ca 0.18 -2.20 -0.29 0.00 -0.77 0.00 0.00 57.85 54.78 3mi3 n ARG 171 Cb 0.38 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.58 3mi3 n ARG 171 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3mi3 s SER 172 N -2.37 5.62 0.05 0.55 0.01 -1.17 -4.59 113.70 111.80 3mi3 s SER 172 Ca 0.24 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.17 3mi3 s SER 172 Cb 0.22 -1.52 -0.09 0.00 0.21 0.00 0.00 66.02 64.84 3mi3 s SER 172 CO 0.00 0.13 1.86 -0.62 0.41 0.00 0.00 173.24 175.03 3mi3 s ASP 173 N -2.67 6.48 0.14 2.44 2.15 -1.26 -4.89 116.67 119.06 3mi3 s ASP 173 Ca 0.30 2.63 -0.18 0.00 0.43 0.00 0.00 52.55 55.73 3mi3 s ASP 173 Cb -0.11 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.98 3mi3 s ASP 173 CO 0.23 -1.01 1.72 0.25 -0.17 0.00 0.00 175.17 176.19 3mi3 h LEU 174 N 9.85 -0.06 -0.63 -1.34 5.85 -1.97 -0.90 115.31 126.12 3mi3 h LEU 174 Ca -0.47 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 3mi3 h LEU 174 Cb 1.22 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3mi3 h LEU 174 CO 0.94 0.00 0.04 0.58 -0.34 0.00 0.00 178.44 179.66 3mi3 h VAL 175 N 0.11 1.27 -0.32 1.05 2.07 -2.00 -1.73 116.25 116.70 3mi3 h VAL 175 Ca 0.13 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3mi3 h VAL 175 Cb 0.16 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3mi3 h VAL 175 CO -0.20 0.41 0.08 0.44 0.02 0.00 0.00 177.57 178.32 3mi3 h ASP 176 N 0.99 0.48 -0.05 0.57 3.32 -1.92 -2.04 116.42 117.77 3mi3 h ASP 176 Ca 0.18 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.04 3mi3 h ASP 176 Cb 0.52 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3mi3 h ASP 176 CO 0.02 0.58 -0.21 0.25 -1.72 0.00 0.00 179.24 178.17 3mi3 h LEU 177 N 0.36 -0.63 -0.84 1.55 5.85 -1.01 -1.54 115.31 119.05 3mi3 h LEU 177 Ca 0.10 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 3mi3 h LEU 177 Cb 0.29 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3mi3 h LEU 177 CO 0.00 -0.27 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.66 3mi3 h LEU 178 N -0.31 0.75 -0.98 2.25 3.38 -1.31 -1.60 115.31 117.49 3mi3 h LEU 178 Ca 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3mi3 h LEU 178 Cb 0.41 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3mi3 h LEU 178 CO -0.23 0.88 0.08 0.28 0.09 0.00 0.00 178.44 179.54 3mi3 h SER 179 N 0.70 0.78 -0.02 -0.43 0.02 -1.27 -1.50 113.55 111.83 3mi3 h SER 179 Ca 0.12 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3mi3 h SER 179 Cb 0.57 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 3mi3 h SER 179 CO 0.04 0.79 0.01 0.25 -1.14 0.00 0.00 176.83 176.77 3mi3 h LEU 180 N 0.79 0.03 -1.02 5.07 5.85 -0.89 -1.00 115.31 124.14 3mi3 h LEU 180 Ca 0.17 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3mi3 h LEU 180 Cb 0.35 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3mi3 h LEU 180 CO 0.01 0.24 0.66 1.88 -0.34 0.00 0.00 178.44 180.88 3mi3 h TYR 181 N -0.18 1.24 -0.13 1.25 0.05 -1.21 -1.14 116.97 116.85 3mi3 h TYR 181 Ca 0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.83 3mi3 h TYR 181 Cb 0.22 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3mi3 h TYR 181 CO -0.00 0.74 0.06 -0.22 -1.05 0.00 0.00 178.16 177.68 3mi3 h LYS 182 N 1.30 0.12 -0.21 4.88 3.64 -1.22 -0.19 116.57 124.88 3mi3 h LYS 182 Ca 0.39 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.79 3mi3 h LYS 182 Cb -0.05 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3mi3 h LYS 182 CO -0.11 0.08 0.01 0.00 -2.27 0.00 0.00 179.45 177.16 3mi3 h ALA 183 N 1.07 0.19 0.00 5.00 0.00 -0.84 -1.52 119.26 123.16 3mi3 h ALA 183 Ca 0.05 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3mi3 h ALA 183 Cb 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3mi3 h ALA 183 CO -0.04 -0.42 -0.50 -0.39 0.00 0.00 0.00 179.25 177.90 3mi3 h VAL 184 N 0.08 1.32 -0.83 0.00 -1.51 -1.09 -2.35 116.25 111.87 3mi3 h VAL 184 Ca 0.10 -1.75 -0.02 0.00 -1.23 0.00 0.00 66.70 63.80 3mi3 h VAL 184 Cb 0.12 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.19 3mi3 h VAL 184 CO -0.16 0.49 0.45 -0.78 -1.23 0.00 0.00 177.57 176.34 3mi3 h ASP 185 N 0.00 1.04 -0.32 4.19 3.58 -0.88 -0.83 116.42 123.20 3mi3 h ASP 185 Ca -0.01 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 3mi3 h ASP 185 Cb 0.91 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 3mi3 h ASP 185 CO 0.07 0.84 -0.03 0.11 -2.88 0.00 0.00 179.24 177.35 3mi3 h LYS 186 N 1.15 0.69 -0.62 0.28 1.79 -0.77 -2.50 116.57 116.59 3mi3 h LYS 186 Ca 0.29 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.50 3mi3 h LYS 186 Cb 0.03 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 3mi3 h LYS 186 CO -0.05 0.73 0.09 0.82 -1.08 0.00 0.00 179.45 179.96 3mi3 h ILE 187 N 0.65 1.26 0.00 1.86 2.04 -1.15 -3.49 117.51 118.67 3mi3 h ILE 187 Ca 0.13 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3mi3 h ILE 187 Cb 0.44 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3mi3 h ILE 187 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.16 3mi3 n GLY 188 N -0.62 0.77 3.43 5.37 0.00 -0.34 -5.08 105.19 108.72 3mi3 n GLY 188 Ca 0.04 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 3mi3 n GLY 188 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mi3 s VAL 189 N 0.00 1.31 0.02 1.61 -7.23 -1.25 -4.98 120.40 109.88 3mi3 s VAL 189 Ca 0.00 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 57.96 3mi3 s VAL 189 Cb 0.00 -2.65 -0.28 0.00 0.56 0.00 0.00 36.38 34.01 3mi3 s VAL 189 CO 0.00 -0.13 1.06 0.78 -0.31 0.00 0.00 175.10 176.50 3mi3 h ASN 190 N 2.20 0.73 -5.04 4.85 4.21 -1.31 -3.46 115.58 117.75 3mi3 h ASN 190 Ca -0.40 -0.84 -0.12 0.00 1.21 0.00 0.00 56.30 56.15 3mi3 h ASN 190 Cb 1.24 -0.23 -0.19 0.00 -1.12 0.00 0.00 38.32 38.02 3mi3 h ASN 190 CO 0.69 1.49 -0.43 -0.13 -1.29 0.00 0.00 177.43 177.75 3mi3 s ARG 191 N -2.92 0.61 0.12 0.81 0.52 -1.19 -2.63 118.95 114.28 3mi3 s ARG 191 Ca -0.11 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 3mi3 s ARG 191 Cb 0.04 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 3mi3 s ARG 191 CO 0.89 -0.16 -0.09 0.14 0.02 0.00 0.00 175.30 176.09 3mi3 s VAL 192 N -2.10 3.36 -0.05 3.52 -7.23 -0.65 -1.05 120.40 116.20 3mi3 s VAL 192 Ca -0.09 -1.34 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 3mi3 s VAL 192 Cb -0.03 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 3mi3 s VAL 192 CO -0.02 0.06 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.79 3mi3 s GLY 193 N -2.35 1.13 -0.17 2.32 0.00 0.66 -0.67 107.32 108.23 3mi3 s GLY 193 Ca 0.22 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 44.00 3mi3 s GLY 193 CO 0.14 -0.53 0.02 -0.42 0.00 0.00 0.00 173.10 172.31 3mi3 s ILE 194 N -0.09 4.35 -0.16 0.90 -1.09 0.12 -2.74 121.20 122.49 3mi3 s ILE 194 Ca -0.03 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 3mi3 s ILE 194 Cb -0.13 -2.94 0.03 0.00 -1.58 0.00 0.00 42.46 37.85 3mi3 s ILE 194 CO 0.03 0.47 -0.11 0.00 -1.23 0.00 0.00 174.94 174.10 3mi3 s ALA 195 N 0.41 1.75 -1.09 9.38 0.00 -1.18 -1.31 121.76 129.72 3mi3 s ALA 195 Ca -0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 3mi3 s ALA 195 Cb -0.13 -1.10 0.12 0.00 0.00 0.00 0.00 23.12 22.01 3mi3 s ALA 195 CO 0.02 -0.56 1.36 0.34 0.00 0.00 0.00 175.76 176.92 3mi3 s ASP 196 N 1.52 6.79 0.27 0.00 2.15 0.11 -1.40 116.67 126.12 3mi3 s ASP 196 Ca 0.03 -2.34 0.10 0.00 0.43 0.00 0.00 52.55 50.77 3mi3 s ASP 196 Cb -0.14 -2.45 0.34 0.00 -0.30 0.00 0.00 42.92 40.37 3mi3 s ASP 196 CO -0.09 -1.04 1.60 0.74 -0.17 0.00 0.00 175.17 176.22 3mi3 h THR 197 N 5.54 1.44 0.00 1.71 2.02 -1.92 -2.21 112.91 119.49 3mi3 h THR 197 Ca 0.26 -2.12 -0.06 0.00 0.77 0.00 0.00 66.41 65.25 3mi3 h THR 197 Cb 0.95 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 3mi3 h THR 197 CO 1.25 0.61 -1.33 0.55 0.37 0.00 0.00 175.52 176.97 3mi3 n VAL 198 N -3.81 0.73 -2.02 3.16 3.14 -1.26 -4.83 118.33 113.44 3mi3 n VAL 198 Ca -0.01 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 3mi3 n VAL 198 Cb 0.62 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 3mi3 n VAL 198 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mi3 n GLY 199 N 1.28 0.81 0.00 7.55 0.00 -1.23 -4.79 105.19 108.81 3mi3 n GLY 199 Ca -0.05 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.34 3mi3 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mi3 s ALA 201 N -1.91 3.02 0.18 0.00 0.00 -1.26 -5.05 121.76 116.73 3mi3 s ALA 201 Ca 0.03 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.03 3mi3 s ALA 201 Cb 0.07 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3mi3 s ALA 201 CO 0.36 -0.66 -0.03 0.95 0.00 0.00 0.00 175.76 176.38 3mi3 s THR 202 N -1.50 3.55 0.26 0.00 -4.23 -1.26 -4.87 115.64 107.59 3mi3 s THR 202 Ca 0.62 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3mi3 s THR 202 Cb -0.30 -2.78 0.23 0.00 1.34 0.00 0.00 72.50 70.99 3mi3 s THR 202 CO 0.36 -0.12 1.77 -0.65 -0.54 0.00 0.00 174.62 175.45 3mi3 h PRO 203 N 2.75 0.64 0.00 3.99 0.11 -1.91 0.09 132.00 137.67 3mi3 h PRO 203 Ca -0.47 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 3mi3 h PRO 203 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3mi3 h PRO 203 CO 0.57 0.42 -0.84 0.00 -0.21 0.00 0.00 178.00 177.94 3mi3 h ARG 204 N 0.66 0.01 -0.08 1.05 3.08 -1.96 -0.32 114.38 116.81 3mi3 h ARG 204 Ca 0.44 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.47 3mi3 h ARG 204 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3mi3 h ARG 204 CO -0.33 0.85 0.03 0.37 -1.07 0.00 0.00 179.97 179.82 3mi3 h GLN 205 N 0.00 0.12 -0.09 0.04 4.15 -1.82 -1.99 115.11 115.52 3mi3 h GLN 205 Ca -0.01 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.42 3mi3 h GLN 205 Cb 1.49 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.13 3mi3 h GLN 205 CO 0.11 0.25 -0.08 0.28 -1.93 0.00 0.00 178.83 177.46 3mi3 h VAL 206 N -0.04 0.77 -0.63 2.39 2.07 -0.85 -2.08 116.25 117.88 3mi3 h VAL 206 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.66 3mi3 h VAL 206 Cb 0.18 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 3mi3 h VAL 206 CO -0.00 0.00 0.16 0.22 0.02 0.00 0.00 177.57 177.97 3mi3 h TYR 207 N -0.10 0.26 -0.41 1.57 3.20 -1.02 -0.67 116.97 119.80 3mi3 h TYR 207 Ca 0.06 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3mi3 h TYR 207 Cb 0.19 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3mi3 h TYR 207 CO -0.19 -0.01 0.02 0.22 -1.64 0.00 0.00 178.16 176.56 3mi3 h ASP 208 N 0.30 0.68 -0.37 -2.11 3.58 -1.24 -1.59 116.42 115.67 3mi3 h ASP 208 Ca 0.33 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 3mi3 h ASP 208 Cb 0.50 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3mi3 h ASP 208 CO -0.40 0.81 0.03 0.25 -2.88 0.00 0.00 179.24 177.05 3mi3 h LEU 209 N 0.54 0.62 -0.37 2.28 5.85 -0.85 -1.89 115.31 121.48 3mi3 h LEU 209 Ca 0.12 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 3mi3 h LEU 209 Cb 0.44 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3mi3 h LEU 209 CO 0.02 0.75 -0.15 0.40 -0.34 0.00 0.00 178.44 179.12 3mi3 h ILE 210 N 0.47 1.28 -0.62 4.05 1.08 -1.08 -0.14 117.51 122.56 3mi3 h ILE 210 Ca 0.11 -1.26 0.06 0.00 -0.39 0.00 0.00 64.86 63.38 3mi3 h ILE 210 Cb 0.41 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.42 3mi3 h ILE 210 CO 0.01 0.42 0.33 -0.09 -0.69 0.00 0.00 178.15 178.13 3mi3 h ARG 211 N 0.55 0.60 -0.35 2.37 9.65 -1.31 0.45 114.38 126.33 3mi3 h ARG 211 Ca 0.09 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 3mi3 h ARG 211 Cb 0.68 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3mi3 h ARG 211 CO 0.05 0.40 0.03 1.15 2.80 0.00 0.00 179.97 184.40 3mi3 h THR 212 N 0.62 1.25 -0.89 0.20 2.02 -1.06 -2.52 112.91 112.52 3mi3 h THR 212 Ca 0.28 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.60 3mi3 h THR 212 Cb 0.18 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3mi3 h THR 212 CO -0.18 0.30 0.57 0.25 0.37 0.00 0.00 175.52 176.83 3mi3 h LEU 213 N 0.43 0.92 -1.89 2.58 5.85 -0.50 -1.18 115.31 121.51 3mi3 h LEU 213 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3mi3 h LEU 213 Cb 0.40 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3mi3 h LEU 213 CO 0.01 0.61 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.62 3mi3 h ARG 214 N 1.06 0.05 0.00 1.25 9.65 0.03 -1.08 114.38 125.35 3mi3 h ARG 214 Ca 0.37 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.18 3mi3 h ARG 214 Cb 0.09 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3mi3 h ARG 214 CO -0.15 0.07 -0.36 0.78 2.80 0.00 0.00 179.97 183.11 3mi3 h GLY 215 N 0.16 0.00 0.59 2.80 0.00 -0.80 -3.37 103.07 102.44 3mi3 h GLY 215 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.99 3mi3 h GLY 215 CO 0.00 0.00 -1.90 -2.08 0.00 0.00 0.00 176.54 172.56 3mi3 h VAL 216 N 0.00 0.68 -2.00 4.60 2.07 -0.57 -3.48 116.25 117.55 3mi3 h VAL 216 Ca -0.01 -2.34 -0.54 0.00 0.82 0.00 0.00 66.70 64.63 3mi3 h VAL 216 Cb 1.23 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 33.43 3mi3 h VAL 216 CO 0.04 0.85 -0.56 0.68 0.02 0.00 0.00 177.57 178.59 3mi3 s VAL 217 N -2.54 3.31 -1.41 2.57 -7.23 -0.48 -4.85 120.40 109.75 3mi3 s VAL 217 Ca -0.22 -1.71 0.12 0.00 -1.81 0.00 0.00 61.98 58.35 3mi3 s VAL 217 Cb 0.06 -2.99 0.11 0.00 0.56 0.00 0.00 36.38 34.12 3mi3 s VAL 217 CO 0.76 -0.25 0.89 -1.54 -0.31 0.00 0.00 175.10 174.65 3mi3 n SER 218 N -1.09 2.03 -2.77 4.85 3.41 -1.26 -4.77 113.62 114.01 3mi3 n SER 218 Ca -0.04 -1.51 -0.06 0.00 -0.26 0.00 0.00 58.87 57.00 3mi3 n SER 218 Cb 0.60 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.55 3mi3 n SER 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mi3 s ASP 220 N -1.92 5.38 -0.07 0.00 1.01 -1.08 -4.92 116.67 115.07 3mi3 s ASP 220 Ca 0.14 1.41 -0.00 0.00 0.71 0.00 0.00 52.55 54.81 3mi3 s ASP 220 Cb -0.01 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.67 3mi3 s ASP 220 CO 0.09 -1.42 -0.02 -0.63 0.21 0.00 0.00 175.17 173.40 3mi3 s ILE 221 N -3.16 0.50 0.06 0.77 1.01 -1.26 -1.64 121.20 117.49 3mi3 s ILE 221 Ca 0.58 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.27 3mi3 s ILE 221 Cb -0.13 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3mi3 s ILE 221 CO 0.54 0.26 -0.03 -1.83 0.00 0.00 0.00 174.94 173.88 3mi3 s GLU 222 N 1.57 2.50 0.00 2.79 -1.05 0.15 -0.65 118.70 124.02 3mi3 s GLU 222 Ca -0.01 -0.82 0.03 0.00 -0.15 0.00 0.00 54.97 54.02 3mi3 s GLU 222 Cb -0.13 -2.50 -0.01 0.00 -0.44 0.00 0.00 34.13 31.05 3mi3 s GLU 222 CO -0.04 0.56 -0.09 0.00 0.95 0.00 0.00 175.26 176.64 3mi3 s HIS 224 N -0.34 0.92 -0.12 0.00 5.04 -0.43 -1.35 115.29 119.01 3mi3 s HIS 224 Ca 0.02 -0.36 0.00 0.00 -1.54 0.00 0.00 55.06 53.19 3mi3 s HIS 224 Cb -0.04 -0.94 0.02 0.00 0.04 0.00 0.00 32.58 31.66 3mi3 s HIS 224 CO -0.00 -0.39 -0.11 -0.06 -2.34 0.00 0.00 174.74 171.84 3mi3 s PHE 225 N 1.89 1.79 0.37 3.88 0.08 -1.26 0.09 117.98 124.82 3mi3 s PHE 225 Ca 0.05 -0.93 -0.19 0.00 0.12 0.00 0.00 56.93 55.97 3mi3 s PHE 225 Cb -0.12 -1.38 -0.10 0.00 -0.57 0.00 0.00 43.02 40.84 3mi3 s PHE 225 CO -0.06 -0.56 0.86 -1.01 -0.10 0.00 0.00 175.22 174.36 3mi3 s HIS 226 N 1.49 3.39 -0.23 0.36 3.76 -0.83 -2.51 115.29 120.72 3mi3 s HIS 226 Ca 0.03 1.48 0.14 0.00 -0.15 0.00 0.00 55.06 56.56 3mi3 s HIS 226 Cb -0.13 -2.74 0.72 0.00 1.11 0.00 0.00 32.58 31.55 3mi3 s HIS 226 CO -0.08 0.02 1.65 -1.71 -0.85 0.00 0.00 174.74 173.78 3mi3 n ASN 227 N -0.33 5.06 -0.23 1.40 5.15 0.56 -4.21 115.26 122.65 3mi3 n ASN 227 Ca 0.05 -3.00 0.21 0.00 -0.60 0.00 0.00 54.58 51.24 3mi3 n ASN 227 Cb 0.53 -0.65 0.56 0.00 -0.53 0.00 0.00 39.78 39.69 3mi3 n ASN 227 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3mi3 h ASP 228 N 3.16 0.32 -0.13 1.20 5.19 -1.79 -2.33 116.42 122.04 3mi3 h ASP 228 Ca 0.03 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3mi3 h ASP 228 Cb 1.85 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.34 3mi3 h ASP 228 CO 0.43 0.12 0.00 0.35 -3.12 0.00 0.00 179.24 177.02 3mi3 n THR 229 N -4.47 1.06 -0.76 0.35 -2.24 -1.25 -4.99 114.28 101.98 3mi3 n THR 229 Ca 0.20 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3mi3 n THR 229 Cb 0.77 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3mi3 n THR 229 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mi3 n GLY 230 N -0.17 0.56 0.71 3.38 0.00 -0.88 -4.98 105.19 103.81 3mi3 n GLY 230 Ca 0.05 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.60 3mi3 n GLY 230 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3mi3 n MET 231 N -2.76 1.51 -0.00 1.61 2.81 -1.26 -4.67 117.12 114.36 3mi3 n MET 231 Ca 0.00 -1.60 -0.00 0.00 -1.81 0.00 0.00 57.70 54.29 3mi3 n MET 231 Cb 0.00 -1.33 0.29 0.00 -0.71 0.00 0.00 33.22 31.47 3mi3 n MET 231 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mi3 h ALA 232 N 3.27 1.36 0.16 3.04 0.00 -1.86 0.16 119.26 125.40 3mi3 h ALA 232 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.42 3mi3 h ALA 232 Cb 0.72 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.39 3mi3 h ALA 232 CO 0.00 0.44 -1.21 0.82 0.00 0.00 0.00 179.25 179.30 3mi3 h ILE 233 N 0.50 1.33 -0.35 0.00 2.04 -1.92 -2.72 117.51 116.39 3mi3 h ILE 233 Ca 0.11 -2.52 -0.01 0.00 1.00 0.00 0.00 64.86 63.43 3mi3 h ILE 233 Cb 0.34 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 3mi3 h ILE 233 CO 0.01 0.75 0.16 0.00 0.00 0.00 0.00 178.15 179.08 3mi3 h ALA 234 N 0.21 0.46 -0.81 1.87 0.00 -1.78 -1.53 119.26 117.67 3mi3 h ALA 234 Ca -0.20 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3mi3 h ALA 234 Cb 1.92 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 3mi3 h ALA 234 CO 0.23 0.03 0.52 -0.91 0.00 0.00 0.00 179.25 179.12 3mi3 h ASN 235 N 0.43 0.86 -0.60 0.00 2.35 -0.80 -1.23 115.58 116.59 3mi3 h ASN 235 Ca 0.12 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3mi3 h ASN 235 Cb 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3mi3 h ASN 235 CO -0.01 0.59 0.40 0.00 -1.65 0.00 0.00 177.43 176.75 3mi3 h ALA 236 N 1.34 0.76 -0.07 -0.83 0.00 -1.14 -0.57 119.26 118.76 3mi3 h ALA 236 Ca 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3mi3 h ALA 236 Cb 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mi3 h ALA 236 CO -0.12 0.21 0.02 -0.92 0.00 0.00 0.00 179.25 178.44 3mi3 h TYR 237 N 0.82 0.12 -0.82 0.00 3.20 -0.96 -1.55 116.97 117.78 3mi3 h TYR 237 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3mi3 h TYR 237 Cb -0.09 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3mi3 h TYR 237 CO -0.03 0.26 0.35 0.00 -1.64 0.00 0.00 178.16 177.10 3mi3 h ALA 239 N 1.19 0.28 -0.72 0.00 0.00 -0.98 -1.43 119.26 117.59 3mi3 h ALA 239 Ca 0.28 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3mi3 h ALA 239 Cb 0.19 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3mi3 h ALA 239 CO -0.03 -0.42 0.47 -0.07 0.00 0.00 0.00 179.25 179.20 3mi3 h LEU 240 N 0.06 0.83 -1.28 0.00 3.38 -0.82 -1.58 115.31 115.90 3mi3 h LEU 240 Ca 0.16 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.21 3mi3 h LEU 240 Cb 0.24 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3mi3 h LEU 240 CO -0.30 0.61 0.55 -0.33 0.09 0.00 0.00 178.44 179.06 3mi3 h GLU 241 N 0.98 0.78 -0.00 1.13 5.08 -0.80 0.22 114.58 121.96 3mi3 h GLU 241 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3mi3 h GLU 241 Cb -0.10 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3mi3 h GLU 241 CO -0.06 0.51 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 3mi3 n ALA 242 N -2.43 2.68 0.00 3.43 0.00 -0.58 -3.59 120.51 120.03 3mi3 n ALA 242 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3mi3 n ALA 242 Cb 0.32 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3mi3 n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mi3 n GLY 243 N 1.16 0.82 3.75 0.00 0.00 -0.73 -4.09 105.19 106.10 3mi3 n GLY 243 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3mi3 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mi3 s ALA 244 N -2.00 2.77 -0.06 4.61 0.00 -0.63 -4.73 121.76 121.71 3mi3 s ALA 244 Ca 0.00 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.38 3mi3 s ALA 244 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3mi3 s ALA 244 CO 0.00 -1.44 0.18 0.25 0.00 0.00 0.00 175.76 174.75 3mi3 n THR 245 N -1.15 0.00 -3.90 0.00 -2.24 0.18 -4.51 114.28 102.66 3mi3 n THR 245 Ca 0.11 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3mi3 n THR 245 Cb 0.45 0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 3mi3 n THR 245 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3mi3 s HIS 246 N -2.36 0.19 -0.07 4.78 3.76 -0.81 -0.88 115.29 119.90 3mi3 s HIS 246 Ca -0.02 0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3mi3 s HIS 246 Cb 0.05 -0.26 0.01 0.00 1.11 0.00 0.00 32.58 33.48 3mi3 s HIS 246 CO 0.30 -0.08 -0.17 0.42 -0.85 0.00 0.00 174.74 174.36 3mi3 s ILE 247 N 0.67 1.47 0.12 0.60 -1.09 -0.60 -1.17 121.20 121.21 3mi3 s ILE 247 Ca -0.06 -0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 3mi3 s ILE 247 Cb -0.09 -1.30 -0.06 0.00 -1.58 0.00 0.00 42.46 39.42 3mi3 s ILE 247 CO -0.01 0.43 1.07 -1.81 -1.23 0.00 0.00 174.94 173.38 3mi3 s ASP 248 N 0.47 7.30 0.34 3.58 1.11 -0.46 -0.82 116.67 128.19 3mi3 s ASP 248 Ca -0.15 1.95 0.03 0.00 0.18 0.00 0.00 52.55 54.57 3mi3 s ASP 248 Cb -0.16 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.20 3mi3 s ASP 248 CO 0.05 -0.23 0.12 0.42 1.18 0.00 0.00 175.17 176.71 3mi3 s THR 249 N 0.20 0.66 -0.10 -1.27 -4.23 -0.71 -4.51 115.64 105.68 3mi3 s THR 249 Ca 0.51 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 3mi3 s THR 249 Cb -0.27 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.05 3mi3 s THR 249 CO 0.32 0.00 0.34 -0.55 -0.54 0.00 0.00 174.62 174.19 3mi3 s SER 250 N -3.47 -0.32 0.10 3.99 0.15 -0.98 -0.07 113.70 113.10 3mi3 s SER 250 Ca 0.32 0.55 -0.31 0.00 0.70 0.00 0.00 55.95 57.22 3mi3 s SER 250 Cb 0.06 0.61 -0.08 0.00 -1.71 0.00 0.00 66.02 64.90 3mi3 s SER 250 CO 0.15 -0.20 1.48 -0.63 1.20 0.00 0.00 173.24 175.25 3mi3 s ILE 251 N -0.18 3.17 -1.00 6.45 1.01 -1.26 -0.85 121.20 128.55 3mi3 s ILE 251 Ca -0.03 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3mi3 s ILE 251 Cb -0.03 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3mi3 s ILE 251 CO 0.01 0.04 0.00 0.18 0.00 0.00 0.00 174.94 175.17 3mi3 n LEU 252 N 4.48 -0.22 -0.32 2.97 4.77 -1.26 -2.35 117.00 125.07 3mi3 n LEU 252 Ca 0.13 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 3mi3 n LEU 252 Cb 0.41 -2.50 -0.02 0.00 -2.33 0.00 0.00 43.42 38.99 3mi3 n LEU 252 CO 0.60 -0.96 -0.04 0.61 -1.33 0.00 0.00 177.39 176.27 3mi3 n GLY 253 N 0.29 0.53 3.72 -0.72 0.00 -0.03 -4.88 105.19 104.11 3mi3 n GLY 253 Ca -0.09 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3mi3 n GLY 253 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mi3 n ILE 254 N -2.36 1.55 -3.12 -0.61 -5.35 -0.99 -1.24 119.36 107.23 3mi3 n ILE 254 Ca -0.04 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3mi3 n ILE 254 Cb 0.40 -1.72 0.00 0.00 -1.74 0.00 0.00 39.64 36.58 3mi3 n ILE 254 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mi3 n GLY 255 N 1.33 -0.68 3.72 3.28 0.00 -1.26 -3.60 105.19 107.98 3mi3 n GLY 255 Ca 0.06 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3mi3 n GLY 255 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mi3 n GLU 256 N 0.00 2.35 0.00 1.61 4.07 -1.24 -3.44 120.64 123.99 3mi3 n GLU 256 Ca 0.00 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 3mi3 n GLU 256 Cb 0.00 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 28.89 3mi3 n GLU 256 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3mi3 n ARG 257 N 1.07 0.00 -0.14 5.31 1.74 -1.26 -0.41 116.66 122.96 3mi3 n ARG 257 Ca 0.06 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.18 3mi3 n ARG 257 Cb 0.36 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 31.92 3mi3 n ARG 257 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3mi3 n ASN 258 N 3.55 1.47 0.00 0.55 6.94 -1.26 -4.83 115.26 121.68 3mi3 n ASN 258 Ca 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 3mi3 n ASN 258 Cb 0.00 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 3mi3 n ASN 258 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mi3 n GLY 259 N 0.91 -1.11 0.54 4.83 0.00 0.45 -4.76 105.19 106.05 3mi3 n GLY 259 Ca 0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 3mi3 n GLY 259 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mi3 n ILE 260 N 0.00 0.00 -1.64 -0.61 -5.35 -0.37 -0.33 119.36 111.06 3mi3 n ILE 260 Ca 0.00 -0.37 -0.57 0.00 -0.27 0.00 0.00 62.75 61.54 3mi3 n ILE 260 Cb 0.00 0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 37.94 3mi3 n ILE 260 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3mi3 n THR 261 N -0.16 0.28 -2.09 7.28 -1.04 -1.04 -4.50 114.28 113.00 3mi3 n THR 261 Ca -0.02 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 3mi3 n THR 261 Cb 0.10 -1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 3mi3 n THR 261 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3mi3 s PRO 262 N 4.16 4.33 0.10 -2.82 0.02 -1.26 -2.32 135.00 137.21 3mi3 s PRO 262 Ca 1.02 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 63.96 3mi3 s PRO 262 Cb -1.06 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 30.25 3mi3 s PRO 262 CO 0.63 -0.27 1.62 1.25 -0.33 0.00 0.00 177.00 179.90 3mi3 h LEU 263 N 4.16 -0.92 -0.57 -5.54 5.85 -1.35 -1.03 115.31 115.92 3mi3 h LEU 263 Ca -0.47 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3mi3 h LEU 263 Cb 1.22 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 3mi3 h LEU 263 CO 0.71 -0.45 0.35 1.23 -0.34 0.00 0.00 178.44 179.94 3mi3 h GLY 264 N -0.64 0.80 1.01 3.75 0.00 -1.94 -2.42 103.07 103.62 3mi3 h GLY 264 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3mi3 h GLY 264 CO -0.11 0.24 0.46 0.00 0.00 0.00 0.00 176.54 177.13 3mi3 h ALA 265 N 1.24 0.90 -0.77 3.60 0.00 -1.84 -0.87 119.26 121.52 3mi3 h ALA 265 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3mi3 h ALA 265 Cb -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3mi3 h ALA 265 CO -0.08 0.34 0.32 1.25 0.00 0.00 0.00 179.25 181.08 3mi3 h LEU 266 N 0.96 1.04 -0.75 0.00 5.85 -1.02 -2.58 115.31 118.82 3mi3 h LEU 266 Ca 0.26 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 3mi3 h LEU 266 Cb -0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 3mi3 h LEU 266 CO -0.05 0.92 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.63 3mi3 h LEU 267 N 1.10 0.68 0.06 2.25 3.38 -0.93 -0.72 115.31 121.13 3mi3 h LEU 267 Ca 0.26 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3mi3 h LEU 267 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mi3 h LEU 267 CO -0.02 0.92 -0.08 0.00 0.09 0.00 0.00 178.44 179.34 3mi3 h ALA 268 N 1.13 -0.13 -0.54 1.53 0.00 -1.04 0.14 119.26 120.35 3mi3 h ALA 268 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3mi3 h ALA 268 Cb 0.75 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3mi3 h ALA 268 CO 0.06 -0.59 0.28 -0.09 0.00 0.00 0.00 179.25 178.92 3mi3 h ARG 269 N -0.16 0.53 0.01 0.00 9.65 -1.25 -2.46 114.38 120.69 3mi3 h ARG 269 Ca 0.01 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 58.66 3mi3 h ARG 269 Cb 0.17 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3mi3 h ARG 269 CO -0.04 0.35 -0.89 0.52 2.80 0.00 0.00 179.97 182.71 3mi3 h MET 270 N 0.55 0.20 -0.84 0.20 2.86 -0.97 -2.88 114.93 114.03 3mi3 h MET 270 Ca 0.24 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3mi3 h MET 270 Cb 0.13 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3mi3 h MET 270 CO -0.16 0.96 0.51 -0.92 1.06 0.00 0.00 176.91 178.37 3mi3 h TYR 271 N 0.11 1.11 -0.74 -0.22 3.20 -0.65 0.15 116.97 119.93 3mi3 h TYR 271 Ca -0.05 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3mi3 h TYR 271 Cb 1.53 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3mi3 h TYR 271 CO 0.03 0.74 0.24 0.28 -1.64 0.00 0.00 178.16 177.80 3mi3 h VAL 272 N 1.16 1.26 -0.33 1.81 2.07 -1.31 -0.14 116.25 120.76 3mi3 h VAL 272 Ca 0.30 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3mi3 h VAL 272 Cb -0.05 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3mi3 h VAL 272 CO -0.06 0.35 -0.09 0.74 0.02 0.00 0.00 177.57 178.53 3mi3 h THR 273 N 1.09 1.28 -1.98 2.57 2.02 -1.30 -3.40 112.91 113.19 3mi3 h THR 273 Ca 0.24 -1.15 -0.38 0.00 0.77 0.00 0.00 66.41 65.89 3mi3 h THR 273 Cb 0.29 1.34 -0.31 0.00 -1.74 0.00 0.00 68.15 67.73 3mi3 h THR 273 CO -0.01 0.37 -0.69 -0.62 0.37 0.00 0.00 175.52 174.94 3mi3 s ASP 274 N -6.26 1.26 0.14 4.18 3.68 0.02 -5.03 116.67 114.65 3mi3 s ASP 274 Ca -0.13 -1.58 -0.19 0.00 2.13 0.00 0.00 52.55 52.79 3mi3 s ASP 274 Cb 0.09 0.52 0.02 0.00 -1.45 0.00 0.00 42.92 42.10 3mi3 s ASP 274 CO 0.79 -0.27 1.70 -0.09 0.13 0.00 0.00 175.17 177.44 3mi3 h ARG 275 N 7.10 0.04 -0.21 4.34 2.43 -1.25 -2.42 114.38 124.41 3mi3 h ARG 275 Ca 0.04 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3mi3 h ARG 275 Cb 1.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3mi3 h ARG 275 CO 0.21 0.03 -0.36 1.05 -1.51 0.00 0.00 179.97 179.38 3mi3 h GLU 276 N 0.04 0.45 -0.13 0.20 -0.00 -1.96 -0.61 114.58 112.57 3mi3 h GLU 276 Ca 0.13 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 3mi3 h GLU 276 Cb 0.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 3mi3 h GLU 276 CO -0.25 0.75 0.04 -0.92 -0.00 0.00 0.00 179.01 178.62 3mi3 h TYR 277 N 0.38 0.22 -0.05 2.06 3.20 -1.91 -2.80 116.97 118.07 3mi3 h TYR 277 Ca 0.04 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3mi3 h TYR 277 Cb 0.81 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3mi3 h TYR 277 CO 0.03 0.36 -0.07 0.82 -1.64 0.00 0.00 178.16 177.66 3mi3 h ILE 278 N 0.02 1.41 -0.52 1.81 1.08 -1.26 -1.95 117.51 118.09 3mi3 h ILE 278 Ca 0.04 -1.32 0.04 0.00 -0.39 0.00 0.00 64.86 63.24 3mi3 h ILE 278 Cb 0.25 2.18 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 3mi3 h ILE 278 CO -0.00 0.36 0.35 0.71 -0.69 0.00 0.00 178.15 178.88 3mi3 h THR 279 N -0.36 1.04 0.05 -0.27 1.35 -1.22 -2.12 112.91 111.38 3mi3 h THR 279 Ca 0.00 -0.19 -0.25 0.00 -0.55 0.00 0.00 66.41 65.42 3mi3 h THR 279 Cb 0.61 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 3mi3 h THR 279 CO 0.02 0.10 -1.27 0.45 -0.25 0.00 0.00 175.52 174.57 3mi3 h HIS 280 N 0.56 0.18 -0.03 4.73 3.86 -1.53 -3.37 115.15 119.55 3mi3 h HIS 280 Ca 0.22 -0.13 -0.22 0.00 -1.16 0.00 0.00 60.37 59.07 3mi3 h HIS 280 Cb 0.16 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.62 3mi3 h HIS 280 CO -0.00 1.13 -0.90 -0.22 0.86 0.00 0.00 177.93 178.80 3mi3 h LYS 281 N 0.03 0.50 -6.28 2.45 3.64 -1.06 -3.46 116.57 112.38 3mi3 h LYS 281 Ca -0.12 -0.50 -0.58 0.00 -1.27 0.00 0.00 60.65 58.17 3mi3 h LYS 281 Cb 1.90 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 33.74 3mi3 h LYS 281 CO 0.14 1.14 -0.68 0.71 -2.27 0.00 0.00 179.45 178.49 3mi3 s TYR 282 N -3.39 2.66 -1.10 1.91 2.02 -0.82 -4.72 117.35 113.91 3mi3 s TYR 282 Ca -0.07 -0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.35 3mi3 s TYR 282 Cb 0.09 -1.22 0.29 0.00 -0.40 0.00 0.00 41.96 40.72 3mi3 s TYR 282 CO 0.88 0.59 1.40 1.63 -1.57 0.00 0.00 175.55 178.47 3mi3 n LYS 283 N -0.55 4.18 0.18 -0.62 4.76 -0.33 -4.74 118.16 121.05 3mi3 n LYS 283 Ca -0.08 -4.48 0.12 0.00 -2.87 0.00 0.00 58.31 51.00 3mi3 n LYS 283 Cb 0.58 -2.54 0.68 0.00 -1.84 0.00 0.00 35.03 31.91 3mi3 n LYS 283 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3mi3 h LEU 284 N 5.92 0.00 0.00 -0.35 3.38 -1.86 -0.54 115.31 121.87 3mi3 h LEU 284 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mi3 h LEU 284 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3mi3 h LEU 284 CO 1.26 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 179.33 3mi3 n ASN 285 N -4.40 0.00 -0.55 -0.43 6.94 -1.26 -2.33 115.26 113.22 3mi3 n ASN 285 Ca 0.01 -0.05 0.11 0.00 -0.02 0.00 0.00 54.58 54.64 3mi3 n ASN 285 Cb 0.25 -0.23 0.07 0.00 -2.36 0.00 0.00 39.78 37.51 3mi3 n ASN 285 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mi3 n GLN 286 N -1.23 1.38 -0.33 -3.83 6.02 -0.21 -4.54 117.38 114.64 3mi3 n GLN 286 Ca 0.08 -1.11 -0.02 0.00 -0.01 0.00 0.00 57.00 55.94 3mi3 n GLN 286 Cb 0.11 -1.48 0.11 0.00 1.02 0.00 0.00 30.24 30.00 3mi3 n GLN 286 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3mi3 h LEU 287 N 2.72 0.99 -0.30 1.08 5.85 -1.60 -1.92 115.31 122.14 3mi3 h LEU 287 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3mi3 h LEU 287 Cb 0.77 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3mi3 h LEU 287 CO 0.00 0.69 0.12 -0.09 -0.34 0.00 0.00 178.44 178.83 3mi3 h ARG 288 N 1.16 0.44 -0.70 1.25 2.43 -1.82 -0.69 114.38 116.45 3mi3 h ARG 288 Ca 0.35 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 3mi3 h ARG 288 Cb -0.04 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3mi3 h ARG 288 CO -0.11 0.45 0.18 0.93 -1.51 0.00 0.00 179.97 179.91 3mi3 h GLU 289 N 0.33 1.11 -0.49 0.20 4.39 -1.83 -0.28 114.58 118.01 3mi3 h GLU 289 Ca 0.10 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3mi3 h GLU 289 Cb 0.17 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3mi3 h GLU 289 CO -0.01 0.98 0.29 1.25 -1.16 0.00 0.00 179.01 180.36 3mi3 h LEU 290 N 1.05 0.59 -0.41 1.33 5.85 -1.14 -1.02 115.31 121.57 3mi3 h LEU 290 Ca 0.22 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3mi3 h LEU 290 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3mi3 h LEU 290 CO 0.00 0.48 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.18 3mi3 h GLU 291 N 0.65 0.77 -0.83 1.25 5.08 -0.92 -3.05 114.58 117.53 3mi3 h GLU 291 Ca 0.17 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3mi3 h GLU 291 Cb -0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3mi3 h GLU 291 CO -0.03 0.89 0.45 -0.91 -1.00 0.00 0.00 179.01 178.40 3mi3 h ASN 292 N 0.59 1.04 -0.59 1.42 2.35 -0.87 0.34 115.58 119.87 3mi3 h ASN 292 Ca 0.11 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3mi3 h ASN 292 Cb 0.59 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3mi3 h ASN 292 CO 0.03 0.84 0.25 0.25 -1.65 0.00 0.00 177.43 177.16 3mi3 h LEU 293 N 1.17 0.29 -0.07 1.61 5.85 -1.18 0.61 115.31 123.59 3mi3 h LEU 293 Ca 0.29 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 3mi3 h LEU 293 Cb 0.04 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.10 3mi3 h LEU 293 CO -0.05 0.18 -0.49 0.58 -0.34 0.00 0.00 178.44 178.33 3mi3 h VAL 294 N 0.46 1.40 -0.89 1.05 2.07 -1.31 -2.83 116.25 116.19 3mi3 h VAL 294 Ca 0.28 -1.87 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3mi3 h VAL 294 Cb 0.30 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3mi3 h VAL 294 CO -0.26 0.55 0.54 0.00 0.02 0.00 0.00 177.57 178.43 3mi3 h ALA 295 N 0.42 1.27 -0.06 1.67 0.00 -0.17 -0.76 119.26 121.64 3mi3 h ALA 295 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mi3 h ALA 295 Cb 1.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mi3 h ALA 295 CO 0.10 0.21 0.03 -0.44 0.00 0.00 0.00 179.25 179.15 3mi3 h ASP 296 N 0.92 0.08 -0.76 0.00 3.32 -0.92 -0.78 116.42 118.29 3mi3 h ASP 296 Ca 0.42 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3mi3 h ASP 296 Cb 0.32 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 3mi3 h ASP 296 CO -0.22 0.14 0.47 0.00 -1.72 0.00 0.00 179.24 177.91 3mi3 h ALA 297 N 0.94 1.38 -0.48 3.45 0.00 -1.08 -2.93 119.26 120.54 3mi3 h ALA 297 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mi3 h ALA 297 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mi3 h ALA 297 CO -0.00 0.54 0.00 1.33 0.00 0.00 0.00 179.25 181.12 3mi3 n VAL 298 N -4.39 0.79 -3.72 0.00 0.24 -0.37 -4.72 118.33 106.16 3mi3 n VAL 298 Ca 0.08 -0.89 -0.28 0.00 -2.04 0.00 0.00 64.34 61.21 3mi3 n VAL 298 Cb 0.06 0.69 0.03 0.00 -1.47 0.00 0.00 33.84 33.15 3mi3 n VAL 298 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3mi3 n GLU 299 N 1.22 -2.36 -4.38 7.34 1.02 -0.35 -4.76 120.64 118.37 3mi3 n GLU 299 Ca 0.18 0.49 -0.20 0.00 -0.02 0.00 0.00 57.16 57.62 3mi3 n GLU 299 Cb 0.54 -4.48 -0.10 0.00 -0.02 0.00 0.00 31.44 27.38 3mi3 n GLU 299 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3mi3 s VAL 300 N -3.60 1.77 -0.06 2.62 -7.23 -0.88 -5.06 120.40 107.95 3mi3 s VAL 300 Ca 0.29 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 3mi3 s VAL 300 Cb -0.10 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 3mi3 s VAL 300 CO 0.85 -0.49 0.26 -1.10 -0.31 0.00 0.00 175.10 174.31 3mi3 s GLN 301 N -3.66 3.66 -0.07 4.82 -0.21 -1.26 -4.64 119.66 118.30 3mi3 s GLN 301 Ca 0.25 0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.45 3mi3 s GLN 301 Cb 0.00 -3.20 -0.08 0.00 1.00 0.00 0.00 33.01 30.73 3mi3 s GLN 301 CO 0.09 0.74 2.06 -0.89 -2.12 0.00 0.00 175.29 175.17 3mi3 n ILE 302 N 1.91 0.60 -1.69 1.08 2.08 -1.26 -4.92 119.36 117.15 3mi3 n ILE 302 Ca -0.17 -0.25 -0.41 0.00 0.56 0.00 0.00 62.75 62.47 3mi3 n ILE 302 Cb 0.54 -2.36 0.01 0.00 -0.75 0.00 0.00 39.64 37.08 3mi3 n ILE 302 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3mi3 n PRO 303 N 7.92 1.82 0.20 0.38 -0.02 -1.26 -4.83 135.00 139.22 3mi3 n PRO 303 Ca 0.24 0.65 0.16 0.00 -2.02 0.00 0.00 63.50 62.54 3mi3 n PRO 303 Cb 0.41 -2.34 0.80 0.00 -0.02 0.00 0.00 33.50 32.36 3mi3 n PRO 303 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3mi3 h PHE 304 N 1.97 0.00 -0.42 6.00 -5.15 -1.95 -0.42 116.94 116.97 3mi3 h PHE 304 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 3mi3 h PHE 304 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 3mi3 h PHE 304 CO 0.47 0.00 0.00 0.27 -2.00 0.00 0.00 178.31 177.05 3mi3 n ASN 305 N -3.94 3.61 -4.64 -0.68 6.94 -1.26 -0.81 115.26 114.48 3mi3 n ASN 305 Ca 0.02 -2.33 -0.44 0.00 -0.02 0.00 0.00 54.58 51.80 3mi3 n ASN 305 Cb 0.31 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 3mi3 n ASN 305 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3mi3 n ASN 306 N 0.48 1.99 -4.72 0.53 5.15 -0.17 -4.84 115.26 113.68 3mi3 n ASN 306 Ca 0.18 1.18 -0.42 0.00 -0.60 0.00 0.00 54.58 54.92 3mi3 n ASN 306 Cb 0.65 -1.37 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 3mi3 n ASN 306 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3mi3 n TYR 307 N 0.54 2.71 0.00 1.20 4.01 -1.26 -1.36 117.16 123.00 3mi3 n TYR 307 Ca 0.08 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 3mi3 n TYR 307 Cb 0.33 -2.60 0.00 0.00 -0.31 0.00 0.00 39.34 36.76 3mi3 n TYR 307 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3mi3 n ILE 308 N 2.64 0.00 0.91 -0.72 5.41 -1.26 -4.20 119.36 122.13 3mi3 n ILE 308 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.96 3mi3 n ILE 308 Cb 0.35 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.23 3mi3 n ILE 308 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3mi3 n THR 309 N 0.00 0.00 -2.00 1.39 -2.24 -1.23 -4.58 114.28 105.62 3mi3 n THR 309 Ca 0.00 -0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 3mi3 n THR 309 Cb 0.00 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 3mi3 n THR 309 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mi3 s GLY 310 N -2.50 2.36 0.32 3.38 0.00 -0.46 -4.92 107.32 105.50 3mi3 s GLY 310 Ca 0.13 0.65 0.07 0.00 0.00 0.00 0.00 44.72 45.57 3mi3 s GLY 310 CO 0.63 1.00 1.60 -0.33 0.00 0.00 0.00 173.10 176.00 3mi3 h MET 311 N 0.57 0.07 -0.02 2.90 2.86 -1.57 -2.22 114.93 117.52 3mi3 h MET 311 Ca -0.48 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3mi3 h MET 311 Cb 1.25 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.89 3mi3 h MET 311 CO 0.56 0.05 -0.46 0.00 1.06 0.00 0.00 176.91 178.12 3mi3 h ALA 313 N 3.88 1.47 -1.49 0.00 0.00 -1.57 -2.85 119.26 118.70 3mi3 h ALA 313 Ca 0.00 -0.04 -0.70 0.00 0.00 0.00 0.00 54.91 54.17 3mi3 h ALA 313 Cb 0.74 -0.30 -0.34 0.00 0.00 0.00 0.00 17.79 17.89 3mi3 h ALA 313 CO 0.00 0.45 0.24 1.19 0.00 0.00 0.00 179.25 181.13 3mi3 n PHE 314 N -4.44 3.28 -4.48 0.00 3.72 -1.26 -4.91 117.46 109.37 3mi3 n PHE 314 Ca 0.11 -2.97 -0.22 0.00 -0.05 0.00 0.00 57.45 54.32 3mi3 n PHE 314 Cb 0.10 -0.77 -0.14 0.00 -0.94 0.00 0.00 39.48 37.73 3mi3 n PHE 314 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3mi3 s THR 315 N -4.85 1.31 0.09 4.37 -4.23 -1.08 -1.25 115.64 110.00 3mi3 s THR 315 Ca 0.47 -1.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.04 3mi3 s THR 315 Cb 0.33 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 3mi3 s THR 315 CO -0.22 0.10 -0.23 -1.00 -0.54 0.00 0.00 174.62 172.73 3mi3 s HIS 316 N -0.79 2.41 0.00 3.99 3.76 -0.56 -4.92 115.29 119.18 3mi3 s HIS 316 Ca 0.04 -0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 54.37 3mi3 s HIS 316 Cb -0.08 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.22 3mi3 s HIS 316 CO 0.01 0.28 0.74 0.21 -0.85 0.00 0.00 174.74 175.13 3mi3 s LYS 317 N -1.74 4.46 0.15 1.40 2.47 -1.26 -0.46 119.74 124.76 3mi3 s LYS 317 Ca 0.14 0.99 0.04 0.00 -1.56 0.00 0.00 55.97 55.58 3mi3 s LYS 317 Cb -0.10 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 3mi3 s LYS 317 CO 0.06 0.20 0.19 0.00 0.16 0.00 0.00 175.35 175.96 3mi3 s ALA 318 N 0.26 3.73 0.00 3.13 0.00 0.80 -3.99 121.76 125.70 3mi3 s ALA 318 Ca 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3mi3 s ALA 318 Cb -0.19 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3mi3 s ALA 318 CO 0.21 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.91 3mi3 n GLY 319 N -0.39 -0.82 0.35 0.00 0.00 -1.26 -4.40 105.19 98.67 3mi3 n GLY 319 Ca -0.08 -2.02 0.18 0.00 0.00 0.00 0.00 46.02 44.10 3mi3 n GLY 319 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3mi3 h ILE 320 N 0.00 0.33 0.00 -0.61 3.07 -1.97 0.10 117.51 118.43 3mi3 h ILE 320 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3mi3 h ILE 320 Cb 0.00 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 3mi3 h ILE 320 CO 0.00 0.00 -0.62 1.41 -1.05 0.00 0.00 178.15 177.89 3mi3 n HIS 321 N -3.57 0.33 0.18 0.16 8.25 -1.26 -3.34 115.22 115.97 3mi3 n HIS 321 Ca 0.02 0.10 0.04 0.00 -0.26 0.00 0.00 57.72 57.62 3mi3 n HIS 321 Cb 0.40 -0.50 0.31 0.00 1.12 0.00 0.00 29.99 31.33 3mi3 n HIS 321 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mi3 h ALA 322 N 2.68 1.05 0.00 -1.41 0.00 -0.92 -3.03 119.26 117.63 3mi3 h ALA 322 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3mi3 h ALA 322 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3mi3 h ALA 322 CO 0.00 0.53 0.00 0.36 0.00 0.00 0.00 179.25 180.14 3mi3 n LYS 323 N -3.67 0.63 0.22 0.00 2.85 -1.21 -3.38 118.16 113.60 3mi3 n LYS 323 Ca -0.01 0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3mi3 n LYS 323 Cb 0.51 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.75 3mi3 n LYS 323 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3mi3 h ALA 324 N 3.30 0.95 -2.34 0.58 0.00 -1.71 -3.42 119.26 116.63 3mi3 h ALA 324 Ca 0.00 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.25 3mi3 h ALA 324 Cb 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3mi3 h ALA 324 CO 0.00 0.18 -0.55 0.96 0.00 0.00 0.00 179.25 179.84 3mi3 s ILE 325 N -3.41 4.36 0.00 0.00 -4.36 -1.22 -5.07 121.20 111.50 3mi3 s ILE 325 Ca 0.03 -1.37 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 3mi3 s ILE 325 Cb 0.08 -3.32 -0.30 0.00 1.25 0.00 0.00 42.46 40.17 3mi3 s ILE 325 CO 0.64 -0.29 1.00 -0.07 0.24 0.00 0.00 174.94 176.47 3mi3 h LEU 326 N 1.78 0.66-10.04 0.37 3.38 -1.87 -3.46 115.31 106.13 3mi3 h LEU 326 Ca -0.48 -0.88 -0.48 0.00 0.09 0.00 0.00 57.88 56.13 3mi3 h LEU 326 Cb 1.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3mi3 h LEU 326 CO 0.61 1.48 0.15 0.00 0.09 0.00 0.00 178.44 180.77 3mi3 s ALA 327 N -2.74 3.27 0.02 1.53 0.00 -1.26 -5.02 121.76 117.56 3mi3 s ALA 327 Ca -0.12 0.08 -0.36 0.00 0.00 0.00 0.00 51.96 51.56 3mi3 s ALA 327 Cb 0.03 -2.83 -0.18 0.00 0.00 0.00 0.00 23.12 20.13 3mi3 s ALA 327 CO 0.88 0.25 0.93 -1.71 0.00 0.00 0.00 175.76 176.11 3mi3 n ASN 328 N -0.55 -0.15 -0.35 0.00 5.15 -1.26 -4.88 115.26 113.23 3mi3 n ASN 328 Ca 0.04 1.08 0.23 0.00 -0.60 0.00 0.00 54.58 55.33 3mi3 n ASN 328 Cb 0.53 -0.86 0.47 0.00 -0.53 0.00 0.00 39.78 39.40 3mi3 n ASN 328 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3mi3 h PRO 329 N 2.57 0.39 0.00 1.20 0.11 -1.92 -0.61 132.00 133.74 3mi3 h PRO 329 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mi3 h PRO 329 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3mi3 h PRO 329 CO 0.60 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 3mi3 n SER 330 N -4.87 0.50 0.30 -2.05 3.41 -1.26 -1.61 113.62 108.03 3mi3 n SER 330 Ca 0.29 0.66 0.17 0.00 -0.26 0.00 0.00 58.87 59.73 3mi3 n SER 330 Cb 0.93 -0.75 0.93 0.00 -0.26 0.00 0.00 64.21 65.06 3mi3 n SER 330 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mi3 h THR 331 N 0.00 0.37 -3.28 6.66 2.02 -1.45 -3.33 112.91 113.89 3mi3 h THR 331 Ca 0.00 -0.18 -0.69 0.00 0.77 0.00 0.00 66.41 66.31 3mi3 h THR 331 Cb 0.21 1.12 -0.37 0.00 -1.74 0.00 0.00 68.15 67.37 3mi3 h THR 331 CO 0.00 0.03 -0.19 -0.31 0.37 0.00 0.00 175.52 175.42 3mi3 s TYR 332 N -4.33 3.82 -0.47 3.16 2.02 -0.63 -4.86 117.35 116.07 3mi3 s TYR 332 Ca -0.04 -3.08 0.09 0.00 -0.37 0.00 0.00 57.07 53.67 3mi3 s TYR 332 Cb 0.14 -3.14 0.33 0.00 -0.40 0.00 0.00 41.96 38.89 3mi3 s TYR 332 CO 0.52 -0.71 0.79 0.39 -1.57 0.00 0.00 175.55 174.98 3mi3 n GLU 333 N 2.31 1.87 -0.14 -0.62 1.02 -1.25 -4.94 120.64 118.88 3mi3 n GLU 333 Ca 0.21 -3.99 0.11 0.00 -0.02 0.00 0.00 57.16 53.47 3mi3 n GLU 333 Cb 0.37 -1.89 0.45 0.00 -0.02 0.00 0.00 31.44 30.35 3mi3 n GLU 333 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3mi3 h ILE 334 N 1.95 0.90 -3.75 -3.67 6.09 -1.95 -3.37 117.51 113.72 3mi3 h ILE 334 Ca 0.11 -0.18 -0.63 0.00 -1.37 0.00 0.00 64.86 62.80 3mi3 h ILE 334 Cb 0.77 0.34 -0.16 0.00 0.47 0.00 0.00 36.82 38.24 3mi3 h ILE 334 CO 0.63 0.09 -0.50 -0.76 -3.07 0.00 0.00 178.15 174.54 3mi3 s LEU 335 N -9.47 4.06 -0.28 2.19 1.43 -1.26 -4.88 118.68 110.47 3mi3 s LEU 335 Ca -0.08 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 3mi3 s LEU 335 Cb 0.20 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3mi3 s LEU 335 CO 0.76 -0.00 0.67 -0.75 0.23 0.00 0.00 176.35 177.26 3mi3 s LYS 336 N 1.45 4.02 0.32 1.70 2.20 -1.26 -4.96 119.74 123.20 3mi3 s LYS 336 Ca 0.07 0.49 0.04 0.00 -0.36 0.00 0.00 55.97 56.22 3mi3 s LYS 336 Cb -0.15 -3.69 0.64 0.00 -1.51 0.00 0.00 37.83 33.12 3mi3 s LYS 336 CO 0.08 -0.52 1.88 -1.00 -0.36 0.00 0.00 175.35 175.43 3mi3 h PRO 337 N 8.02 0.87 0.00 4.03 0.13 -1.92 -1.69 132.00 141.44 3mi3 h PRO 337 Ca -0.26 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3mi3 h PRO 337 Cb 1.11 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3mi3 h PRO 337 CO 0.81 0.58 0.00 1.05 -0.23 0.00 0.00 178.00 180.21 3mi3 h GLU 338 N 0.90 0.00 0.00 0.86 9.09 -1.81 -0.53 114.58 123.09 3mi3 h GLU 338 Ca 0.43 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.80 3mi3 h GLU 338 Cb 0.44 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 3mi3 h GLU 338 CO -0.19 0.00 -0.20 -0.44 0.05 0.00 0.00 179.01 178.23 3mi3 h ASP 339 N 0.00 0.00 -0.36 3.06 3.32 -1.60 -3.15 116.42 117.69 3mi3 h ASP 339 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3mi3 h ASP 339 Cb 0.49 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3mi3 h ASP 339 CO 0.00 0.20 0.03 0.49 -1.72 0.00 0.00 179.24 178.24 3mi3 n PHE 340 N -3.43 1.24 -1.00 4.55 3.72 -0.85 -4.37 117.46 117.33 3mi3 n PHE 340 Ca -0.00 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.33 3mi3 n PHE 340 Cb 0.39 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3mi3 n PHE 340 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mi3 n GLY 341 N -0.55 0.56 3.82 1.37 0.00 -1.18 -4.52 105.19 104.69 3mi3 n GLY 341 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 3mi3 n GLY 341 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mi3 s MET 342 N -0.07 2.68 -0.12 1.61 -1.94 -0.26 -4.57 119.30 116.63 3mi3 s MET 342 Ca 0.00 -1.31 0.19 0.00 -1.71 0.00 0.00 55.69 52.86 3mi3 s MET 342 Cb 0.00 -2.43 -0.27 0.00 2.01 0.00 0.00 34.83 34.15 3mi3 s MET 342 CO 0.00 0.15 0.29 -1.13 -0.01 0.00 0.00 175.02 174.32 3mi3 n SER 343 N -1.30 0.11 -3.68 3.03 3.41 -0.32 -2.55 113.62 112.33 3mi3 n SER 343 Ca -0.03 0.05 -0.02 0.00 -0.26 0.00 0.00 58.87 58.61 3mi3 n SER 343 Cb 0.60 1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 65.74 3mi3 n SER 343 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mi3 s ARG 344 N -2.86 0.82 0.22 4.33 1.70 -1.26 -4.81 118.95 117.09 3mi3 s ARG 344 Ca -0.09 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 3mi3 s ARG 344 Cb 0.09 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 3mi3 s ARG 344 CO 0.85 -0.38 1.04 0.71 -1.08 0.00 0.00 175.30 176.45 3mi3 s TYR 345 N -2.90 3.72 -0.22 5.89 1.51 -1.26 -4.94 117.35 119.15 3mi3 s TYR 345 Ca 0.13 1.74 -0.17 0.00 -1.01 0.00 0.00 57.07 57.76 3mi3 s TYR 345 Cb 0.01 -3.17 -0.03 0.00 -0.11 0.00 0.00 41.96 38.66 3mi3 s TYR 345 CO -0.01 -0.21 0.48 0.08 -1.11 0.00 0.00 175.55 174.79 3mi3 s VAL 346 N -0.81 5.12 -0.57 0.71 1.01 -0.38 -4.92 120.40 120.56 3mi3 s VAL 346 Ca 0.45 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.07 3mi3 s VAL 346 Cb -0.29 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.35 3mi3 s VAL 346 CO 0.36 0.16 0.81 -1.00 0.00 0.00 0.00 175.10 175.43 3mi3 s HIS 347 N 1.81 2.87 -0.31 5.22 3.76 -1.26 -1.49 115.29 125.89 3mi3 s HIS 347 Ca 0.21 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.46 3mi3 s HIS 347 Cb -0.15 -3.96 -0.01 0.00 1.11 0.00 0.00 32.58 29.57 3mi3 s HIS 347 CO 0.09 -1.33 0.60 0.08 -0.85 0.00 0.00 174.74 173.34 3mi3 s VAL 348 N 3.38 4.96 -0.12 -0.90 1.01 0.39 -4.71 120.40 124.41 3mi3 s VAL 348 Ca 0.20 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.98 3mi3 s VAL 348 Cb -0.18 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3mi3 s VAL 348 CO 0.12 -0.13 0.33 0.61 0.00 0.00 0.00 175.10 176.03 3mi3 n GLY 349 N 4.48 -0.36 3.48 4.51 0.00 -1.26 -0.14 105.19 115.90 3mi3 n GLY 349 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3mi3 n GLY 349 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mi3 s SER 350 N -0.56 -0.31 -0.44 1.61 1.04 -1.26 -4.94 113.70 108.84 3mi3 s SER 350 Ca 0.01 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 55.78 3mi3 s SER 350 Cb 0.01 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3mi3 s SER 350 CO 0.03 -1.02 1.26 -0.60 0.98 0.00 0.00 173.24 173.89 3mi3 s ARG 351 N -3.84 3.68 -0.24 4.02 3.52 -1.26 -4.98 118.95 119.84 3mi3 s ARG 351 Ca 0.07 0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 3mi3 s ARG 351 Cb -0.01 -3.95 0.01 0.00 -1.56 0.00 0.00 34.95 29.44 3mi3 s ARG 351 CO -0.06 -1.44 1.09 -0.48 -0.81 0.00 0.00 175.30 173.60 3mi3 s LEU 352 N 4.85 4.06 0.16 -0.88 2.34 -1.26 -5.02 118.68 122.93 3mi3 s LEU 352 Ca 0.54 1.34 0.11 0.00 0.06 0.00 0.00 54.13 56.18 3mi3 s LEU 352 Cb -0.10 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 41.94 3mi3 s LEU 352 CO 0.31 -0.75 -0.25 0.42 -1.06 0.00 0.00 176.35 175.02 3mi3 s THR 353 N 3.40 2.28 0.00 5.48 -4.23 -1.26 -4.25 115.64 117.06 3mi3 s THR 353 Ca 0.46 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3mi3 s THR 353 Cb -0.15 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3mi3 s THR 353 CO 0.10 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3mi3 n GLY 354 N 0.57 1.05 0.32 3.99 0.00 -1.26 -3.07 105.19 106.79 3mi3 n GLY 354 Ca -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3mi3 n GLY 354 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3mi3 h TRP 355 N 0.00 0.81 -0.91 1.61 -0.00 -1.97 -2.79 115.95 112.70 3mi3 h TRP 355 Ca 0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.05 3mi3 h TRP 355 Cb 0.00 -0.26 -0.10 0.00 -0.00 0.00 0.00 29.16 28.80 3mi3 h TRP 355 CO 0.00 0.58 0.49 -0.91 -0.00 0.00 0.00 178.44 178.60 3mi3 h ASN 356 N 0.84 0.60 -0.24 2.65 4.21 -1.91 -0.37 115.58 121.34 3mi3 h ASN 356 Ca 0.21 0.10 -0.18 0.00 1.21 0.00 0.00 56.30 57.64 3mi3 h ASN 356 Cb 0.04 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3mi3 h ASN 356 CO -0.03 0.21 -0.53 0.00 -1.29 0.00 0.00 177.43 175.78 3mi3 h ALA 357 N 1.61 0.52 0.07 -0.83 0.00 -1.61 -2.63 119.26 116.40 3mi3 h ALA 357 Ca 0.52 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mi3 h ALA 357 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3mi3 h ALA 357 CO -0.39 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.33 3mi3 h ILE 358 N 0.64 1.09 -0.20 0.00 1.08 -1.35 -2.50 117.51 116.26 3mi3 h ILE 358 Ca 0.02 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.96 3mi3 h ILE 358 Cb 1.13 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 36.30 3mi3 h ILE 358 CO 0.12 0.14 0.00 0.11 -0.69 0.00 0.00 178.15 177.83 3mi3 h LYS 359 N -0.35 0.07 0.09 2.37 6.56 -1.15 0.38 116.57 124.54 3mi3 h LYS 359 Ca -0.01 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.60 3mi3 h LYS 359 Cb 0.30 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.91 3mi3 h LYS 359 CO 0.02 0.05 -0.25 1.03 -2.06 0.00 0.00 179.45 178.23 3mi3 h SER 360 N 0.07 -0.72 -0.55 0.86 0.87 -1.51 0.20 113.55 112.77 3mi3 h SER 360 Ca 0.09 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3mi3 h SER 360 Cb 0.11 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3mi3 h SER 360 CO -0.16 -0.34 0.19 -0.09 -0.53 0.00 0.00 176.83 175.90 3mi3 h ARG 361 N -0.44 0.85 -0.37 2.24 9.65 -1.22 -0.88 114.38 124.21 3mi3 h ARG 361 Ca 0.04 -0.18 -0.06 0.00 -1.10 0.00 0.00 59.98 58.68 3mi3 h ARG 361 Cb 0.48 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 3mi3 h ARG 361 CO -0.16 0.77 -0.01 0.00 2.80 0.00 0.00 179.97 183.36 3mi3 h ALA 362 N 1.05 1.29 -0.05 2.80 0.00 0.03 -0.98 119.26 123.40 3mi3 h ALA 362 Ca 0.18 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3mi3 h ALA 362 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mi3 h ALA 362 CO -0.01 0.48 -0.76 0.93 0.00 0.00 0.00 179.25 179.89 3mi3 h GLU 363 N 0.55 0.32 -0.27 0.00 5.08 -0.35 -0.51 114.58 119.39 3mi3 h GLU 363 Ca 0.11 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3mi3 h GLU 363 Cb 0.38 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3mi3 h GLU 363 CO 0.01 0.94 -0.13 0.37 -1.00 0.00 0.00 179.01 179.21 3mi3 h GLN 364 N 0.21 0.45 -0.14 2.33 4.15 -0.75 -3.04 115.11 118.32 3mi3 h GLN 364 Ca -0.03 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3mi3 h GLN 364 Cb 1.34 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3mi3 h GLN 364 CO 0.12 0.58 0.00 1.28 -1.93 0.00 0.00 178.83 178.88 3mi3 n LEU 365 N -4.21 1.61 -2.24 -2.39 4.77 -0.41 -1.17 117.00 112.96 3mi3 n LEU 365 Ca 0.00 -0.66 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 3mi3 n LEU 365 Cb 0.32 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3mi3 n LEU 365 CO 0.40 0.33 -0.25 0.59 -1.33 0.00 0.00 177.39 177.12 3mi3 n ASN 366 N 0.28 -5.72 -4.57 -1.43 3.02 -0.91 -4.72 115.26 101.21 3mi3 n ASN 366 Ca 0.17 0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 3mi3 n ASN 366 Cb 0.33 -4.76 -0.04 0.00 -0.61 0.00 0.00 39.78 34.70 3mi3 n ASN 366 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mi3 s LEU 367 N -5.70 4.00 -0.92 3.41 1.43 -0.25 -4.47 118.68 116.19 3mi3 s LEU 367 Ca 0.00 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 3mi3 s LEU 367 Cb 0.00 -3.20 0.14 0.00 0.03 0.00 0.00 46.19 43.15 3mi3 s LEU 367 CO 0.00 -1.05 1.10 -1.00 0.23 0.00 0.00 176.35 175.62 3mi3 s HIS 368 N 3.77 3.16 -0.05 0.29 3.76 -1.26 -4.51 115.29 120.44 3mi3 s HIS 368 Ca 0.37 -1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 53.57 3mi3 s HIS 368 Cb -0.10 -4.25 -0.02 0.00 1.11 0.00 0.00 32.58 29.32 3mi3 s HIS 368 CO 0.26 -1.46 1.05 -0.51 -0.85 0.00 0.00 174.74 173.24 3mi3 s LEU 369 N 2.54 4.30 0.91 0.89 1.43 -1.26 -5.04 118.68 122.44 3mi3 s LEU 369 Ca 0.31 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.95 3mi3 s LEU 369 Cb -0.05 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.74 3mi3 s LEU 369 CO -0.09 -0.42 1.10 0.42 0.23 0.00 0.00 176.35 177.58 3mi3 s THR 370 N 1.70 2.52 0.22 5.49 -4.23 -1.26 -4.82 115.64 115.25 3mi3 s THR 370 Ca 0.51 0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 3mi3 s THR 370 Cb -0.21 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.10 3mi3 s THR 370 CO 0.22 -0.22 1.87 -2.24 -0.54 0.00 0.00 174.62 173.71 3mi3 h ASP 371 N -1.57 0.86 -0.38 3.99 3.04 -1.99 -1.89 116.42 118.48 3mi3 h ASP 371 Ca -0.50 -0.01 -0.05 0.00 -3.24 0.00 0.00 57.03 53.23 3mi3 h ASP 371 Cb 1.30 -0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 39.37 3mi3 h ASP 371 CO 0.56 0.60 0.07 0.00 -2.04 0.00 0.00 179.24 178.44 3mi3 h ALA 372 N 1.32 1.28 -0.07 4.15 0.00 -2.00 -2.56 119.26 121.38 3mi3 h ALA 372 Ca 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3mi3 h ALA 372 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mi3 h ALA 372 CO -0.10 0.50 -0.08 1.96 0.00 0.00 0.00 179.25 181.52 3mi3 h GLN 373 N 0.67 0.19 -0.85 0.00 4.20 -1.87 -3.09 115.11 114.37 3mi3 h GLN 373 Ca 0.15 -0.10 0.23 0.00 0.06 0.00 0.00 58.65 58.98 3mi3 h GLN 373 Cb 0.31 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3mi3 h GLN 373 CO 0.00 0.64 0.59 0.00 -0.67 0.00 0.00 178.83 179.39 3mi3 h ALA 374 N 0.55 2.59 0.05 3.87 0.00 -1.25 -2.19 119.26 122.87 3mi3 h ALA 374 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mi3 h ALA 374 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3mi3 h ALA 374 CO 0.02 -0.84 -0.02 1.57 0.00 0.00 0.00 179.25 179.98 3mi3 h LYS 375 N 0.13 -0.07 -0.57 0.00 -0.00 -1.43 -3.06 116.57 111.57 3mi3 h LYS 375 Ca 0.42 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 61.15 3mi3 h LYS 375 Cb 1.44 0.02 -0.06 0.00 -0.00 0.00 0.00 32.23 33.62 3mi3 h LYS 375 CO -0.06 0.48 0.23 0.93 -0.00 0.00 0.00 179.45 181.02 3mi3 h GLU 376 N -0.66 0.41 -0.81 0.07 5.08 -1.41 -2.19 114.58 115.06 3mi3 h GLU 376 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3mi3 h GLU 376 Cb 0.57 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3mi3 h GLU 376 CO 0.01 0.27 0.39 -0.07 -1.00 0.00 0.00 179.01 178.61 3mi3 h LEU 377 N 0.42 1.05 0.00 1.33 3.38 -1.47 0.28 115.31 120.31 3mi3 h LEU 377 Ca 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3mi3 h LEU 377 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mi3 h LEU 377 CO -0.27 0.89 -0.18 0.71 0.09 0.00 0.00 178.44 179.68 3mi3 h THR 378 N 1.15 0.00 0.00 0.22 1.35 -1.43 0.20 112.91 114.40 3mi3 h THR 378 Ca 0.28 -0.64 -0.11 0.00 -0.55 0.00 0.00 66.41 65.39 3mi3 h THR 378 Cb 0.11 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 3mi3 h THR 378 CO -0.04 0.00 -0.41 0.58 -0.25 0.00 0.00 175.52 175.40 3mi3 h VAL 379 N 0.00 1.49 -0.49 6.82 2.07 -0.70 -3.08 116.25 122.37 3mi3 h VAL 379 Ca 0.00 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.43 3mi3 h VAL 379 Cb 0.82 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3mi3 h VAL 379 CO 0.00 0.57 0.02 0.03 0.02 0.00 0.00 177.57 178.21 3mi3 h ARG 380 N -0.32 0.86 0.00 1.57 -0.00 -0.38 -2.03 114.38 114.07 3mi3 h ARG 380 Ca -0.05 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.98 59.14 3mi3 h ARG 380 Cb 1.15 -0.08 -0.00 0.00 0.00 0.00 0.00 29.97 31.04 3mi3 h ARG 380 CO 0.08 0.88 -0.15 -0.84 0.00 0.00 0.00 179.97 179.95 3mi3 h ILE 381 N 0.72 0.57 0.00 2.04 3.07 -0.73 -1.52 117.51 121.66 3mi3 h ILE 381 Ca 0.14 -0.67 -0.00 0.00 1.55 0.00 0.00 64.86 65.88 3mi3 h ILE 381 Cb 0.48 1.44 -0.00 0.00 -0.27 0.00 0.00 36.82 38.47 3mi3 h ILE 381 CO 0.02 0.14 -0.05 0.07 -1.05 0.00 0.00 178.15 177.28 3mi3 h LYS 382 N 0.00 0.00 0.00 0.16 -0.00 -1.42 -2.43 116.57 112.88 3mi3 h LYS 382 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3mi3 h LYS 382 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.66 3mi3 h LYS 382 CO 0.02 0.00 0.24 1.63 -0.00 0.00 0.00 179.45 181.34 3mi3 n LYS 383 N -4.76 0.02 -0.09 0.07 4.01 -0.78 -0.22 118.16 116.40 3mi3 n LYS 383 Ca -0.01 0.34 -0.12 0.00 -0.51 0.00 0.00 58.31 58.02 3mi3 n LYS 383 Cb 0.03 -1.80 -0.05 0.00 -0.51 0.00 0.00 35.03 32.70 3mi3 n LYS 383 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 3mi3 n LEU 384 N -1.45 1.85 0.26 -0.35 7.94 -0.58 -3.97 117.00 120.71 3mi3 n LEU 384 Ca -0.00 0.52 0.10 0.00 -1.11 0.00 0.00 56.01 55.53 3mi3 n LEU 384 Cb 0.24 -0.88 0.71 0.00 0.53 0.00 0.00 43.42 44.02 3mi3 n LEU 384 CO 0.01 -0.17 1.03 0.00 -1.11 0.00 0.00 177.39 177.15 3mi3 h ALA 385 N -0.86 1.65 0.00 1.96 0.00 -0.62 -0.80 119.26 120.59 3mi3 h ALA 385 Ca -0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3mi3 h ALA 385 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3mi3 h ALA 385 CO -0.09 0.08 -0.42 0.38 0.00 0.00 0.00 179.25 179.20 3mi3 h ASP 386 N 0.00 0.00 1.02 0.00 -0.00 -0.82 -3.13 116.42 113.49 3mi3 h ASP 386 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.03 56.88 3mi3 h ASP 386 Cb 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.44 3mi3 h ASP 386 CO 0.01 0.42 -1.04 1.62 -0.00 0.00 0.00 179.24 180.25 3mi3 h VAL 387 N 0.00 0.70 -1.52 4.15 3.04 -1.33 -3.48 116.25 117.81 3mi3 h VAL 387 Ca -0.00 -2.15 0.08 0.00 -1.01 0.00 0.00 66.70 63.62 3mi3 h VAL 387 Cb 0.92 2.22 -0.27 0.00 -2.01 0.00 0.00 31.29 32.15 3mi3 h VAL 387 CO 0.05 0.40 0.52 -0.60 -1.01 0.00 0.00 177.57 176.94 3mi3 s ARG 388 N -2.93 0.44 -0.01 4.17 3.52 -0.46 -5.11 118.95 118.57 3mi3 s ARG 388 Ca -0.00 0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 55.79 3mi3 s ARG 388 Cb 0.08 0.21 -0.10 0.00 -1.56 0.00 0.00 34.95 33.59 3mi3 s ARG 388 CO 0.79 -0.05 1.96 -2.37 -0.81 0.00 0.00 175.30 174.81 3mi3 n THR 389 N 2.08 0.70 -1.61 4.11 5.66 -1.26 -3.73 114.28 120.24 3mi3 n THR 389 Ca -0.12 -0.14 -0.37 0.00 -3.05 0.00 0.00 64.05 60.37 3mi3 n THR 389 Cb 0.56 -2.19 0.07 0.00 -1.55 0.00 0.00 70.33 67.22 3mi3 n THR 389 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mi3 n LEU 390 N 7.43 5.03 -4.27 1.09 -0.00 -1.26 -5.02 117.00 119.99 3mi3 n LEU 390 Ca 0.21 0.78 -0.23 0.00 -0.00 0.00 0.00 56.01 56.77 3mi3 n LEU 390 Cb 0.37 -1.49 -0.12 0.00 -0.00 0.00 0.00 43.42 42.18 3mi3 n LEU 390 CO 0.70 -1.41 -0.51 0.00 -0.00 0.00 0.00 177.39 176.17 3mi3 s ALA 391 N -1.53 1.72 0.35 1.47 0.00 -1.26 -5.03 121.76 117.48 3mi3 s ALA 391 Ca 0.79 -1.21 0.14 0.00 0.00 0.00 0.00 51.96 51.68 3mi3 s ALA 391 Cb -0.38 -0.23 1.00 0.00 0.00 0.00 0.00 23.12 23.51 3mi3 s ALA 391 CO 0.44 0.34 1.72 1.98 0.00 0.00 0.00 175.76 180.24 3mi3 h MET 392 N 4.12 0.46 -0.12 0.00 4.05 -2.01 0.16 114.93 121.59 3mi3 h MET 392 Ca -0.45 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 58.91 3mi3 h MET 392 Cb 1.18 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 3mi3 h MET 392 CO 0.40 0.30 -0.05 -0.44 0.23 0.00 0.00 176.91 177.35 3mi3 h ASP 393 N 0.47 0.15 0.08 1.39 3.32 -1.96 -2.79 116.42 117.08 3mi3 h ASP 393 Ca 0.66 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.68 3mi3 h ASP 393 Cb 1.43 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 3mi3 h ASP 393 CO -0.45 0.23 -0.05 0.44 -1.72 0.00 0.00 179.24 177.70 3mi3 h ASP 394 N 0.17 0.00 0.21 6.45 3.32 -1.08 -2.15 116.42 123.33 3mi3 h ASP 394 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3mi3 h ASP 394 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3mi3 h ASP 394 CO 0.01 0.05 -0.10 0.58 -1.72 0.00 0.00 179.24 178.05 3mi3 h VAL 395 N 0.00 0.83 -0.08 -1.35 2.07 -1.58 -0.19 116.25 115.95 3mi3 h VAL 395 Ca -0.00 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3mi3 h VAL 395 Cb 0.10 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3mi3 h VAL 395 CO 0.01 0.04 -0.32 0.44 0.02 0.00 0.00 177.57 177.76 3mi3 h ASP 396 N -0.37 0.14 -0.20 0.57 3.32 -1.65 -2.61 116.42 115.62 3mi3 h ASP 396 Ca -0.03 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3mi3 h ASP 396 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3mi3 h ASP 396 CO 0.05 0.46 0.02 -0.09 -1.72 0.00 0.00 179.24 177.95 3mi3 h ARG 397 N 0.13 0.33 0.00 3.56 9.65 -1.08 -1.63 114.38 125.34 3mi3 h ARG 397 Ca 0.02 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 3mi3 h ARG 397 Cb 0.63 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.17 3mi3 h ARG 397 CO 0.05 0.50 -0.08 -0.39 2.80 0.00 0.00 179.97 182.85 3mi3 h VAL 398 N 0.11 0.17 0.00 0.20 -1.51 -1.01 -3.07 116.25 111.14 3mi3 h VAL 398 Ca 0.06 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 3mi3 h VAL 398 Cb 0.34 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3mi3 h VAL 398 CO 0.01 0.08 -0.34 0.18 -1.23 0.00 0.00 177.57 176.26 3mi3 n LEU 399 N -3.17 0.44 -0.24 4.19 4.77 -0.99 -4.46 117.00 117.53 3mi3 n LEU 399 Ca 0.01 0.25 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 3mi3 n LEU 399 Cb 0.41 -0.31 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 3mi3 n LEU 399 CO 0.31 0.02 0.97 -0.09 -1.33 0.00 0.00 177.39 177.26 3mi3 h ARG 400 N 0.00 0.33 -1.03 3.23 2.43 -1.20 -0.63 114.38 117.51 3mi3 h ARG 400 Ca 0.00 -0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.43 3mi3 h ARG 400 Cb 0.58 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.99 3mi3 h ARG 400 CO 0.00 0.22 0.70 0.93 -1.51 0.00 0.00 179.97 180.31 3mi3 h GLU 401 N 0.34 0.22 -6.28 0.20 5.08 -1.83 -3.44 114.58 108.87 3mi3 h GLU 401 Ca 0.40 -0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 58.18 3mi3 h GLU 401 Cb 0.65 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3mi3 h GLU 401 CO -0.45 0.14 -0.09 0.71 -1.00 0.00 0.00 179.01 178.32 3mi3 s TYR 402 N -5.25 3.66 0.26 4.33 2.02 -0.24 -5.09 117.35 117.03 3mi3 s TYR 402 Ca -0.07 1.09 0.11 0.00 -0.37 0.00 0.00 57.07 57.84 3mi3 s TYR 402 Cb 0.24 -2.38 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 3mi3 s TYR 402 CO 0.79 0.48 -0.20 -1.01 -1.57 0.00 0.00 175.55 174.05 3mi3 s HIS 403 N -1.36 2.21 -2.80 2.71 3.76 -1.26 -5.04 115.29 113.50 3mi3 s HIS 403 Ca 0.35 -0.37 0.26 0.00 -0.15 0.00 0.00 55.06 55.15 3mi3 s HIS 403 Cb -0.16 -0.98 0.53 0.00 1.11 0.00 0.00 32.58 33.08 3mi3 s HIS 403 CO 0.19 0.64 1.45 0.00 -0.85 0.00 0.00 174.74 176.17