#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hab s ARG 40 N 0.00 2.81 0.87 1.09 1.70 -1.26 -5.05 118.95 119.11 3hab s ARG 40 Ca 0.00 0.24 -0.11 0.00 -0.47 0.00 0.00 55.73 55.39 3hab s ARG 40 Cb 0.00 -2.12 0.12 0.00 -0.57 0.00 0.00 34.95 32.38 3hab s ARG 40 CO 0.00 -0.95 1.10 -1.59 -1.08 0.00 0.00 175.30 172.79 3hab s LYS 41 N -5.23 1.41 0.46 3.89 -2.85 -1.23 -4.67 119.74 111.52 3hab s LYS 41 Ca 0.57 1.18 0.08 0.00 -1.00 0.00 0.00 55.97 56.80 3hab s LYS 41 Cb -0.11 -1.80 0.03 0.00 -2.06 0.00 0.00 37.83 33.89 3hab s LYS 41 CO 0.49 -2.24 0.61 0.95 0.10 0.00 0.00 175.35 175.26 3hab s THR 42 N -2.80 2.78 -0.41 3.79 -4.23 -1.26 -0.38 115.64 113.13 3hab s THR 42 Ca 0.64 -1.02 -0.25 0.00 -1.18 0.00 0.00 61.69 59.88 3hab s THR 42 Cb -0.20 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 70.87 3hab s THR 42 CO 0.57 0.00 0.90 -0.47 -0.54 0.00 0.00 174.62 175.08 3hab s TYR 43 N -2.43 3.02 0.51 3.99 5.04 -1.26 -4.82 117.35 121.40 3hab s TYR 43 Ca 0.56 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.80 3hab s TYR 43 Cb -0.09 -3.74 0.04 0.00 0.35 0.00 0.00 41.96 38.52 3hab s TYR 43 CO 0.34 -0.93 0.71 0.95 -1.34 0.00 0.00 175.55 175.28 3hab s THR 44 N 3.52 2.66 0.24 4.34 -4.23 -1.26 -3.83 115.64 117.08 3hab s THR 44 Ca 0.36 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 3hab s THR 44 Cb -0.11 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 71.08 3hab s THR 44 CO 0.22 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.32 3hab h LEU 45 N 0.30 0.93 -0.78 4.79 5.85 -1.95 -2.44 115.31 122.00 3hab h LEU 45 Ca -0.38 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 3hab h LEU 45 Cb 1.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3hab h LEU 45 CO 0.45 0.89 0.07 0.74 -0.34 0.00 0.00 178.44 180.26 3hab h THR 46 N 0.95 1.26 -0.47 1.05 2.02 -1.97 -0.39 112.91 115.35 3hab h THR 46 Ca 0.20 -1.02 0.06 0.00 0.77 0.00 0.00 66.41 66.42 3hab h THR 46 Cb 0.32 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3hab h THR 46 CO -0.00 0.38 0.18 0.44 0.37 0.00 0.00 175.52 176.89 3hab h ASP 47 N 0.93 0.21 -0.02 4.18 3.45 -1.87 0.57 116.42 123.88 3hab h ASP 47 Ca 0.18 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.69 3hab h ASP 47 Cb 0.44 0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3hab h ASP 47 CO 0.01 0.15 0.01 0.22 -1.57 0.00 0.00 179.24 178.06 3hab h TYR 48 N 0.37 0.03 -0.14 4.55 3.20 -1.17 -2.03 116.97 121.77 3hab h TYR 48 Ca 0.22 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 3hab h TYR 48 Cb 0.20 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3hab h TYR 48 CO -0.15 0.19 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.04 3hab h LEU 49 N -0.14 0.37 -2.35 2.82 3.38 -0.61 -3.14 115.31 115.63 3hab h LEU 49 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hab h LEU 49 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hab h LEU 49 CO -0.00 0.77 0.00 0.29 0.09 0.00 0.00 178.44 179.59 3hab n LYS 50 N -3.99 2.52 -3.81 1.13 4.76 0.20 -4.98 118.16 113.98 3hab n LYS 50 Ca -0.02 -2.32 -0.25 0.00 -2.87 0.00 0.00 58.31 52.86 3hab n LYS 50 Cb 0.52 -1.52 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 3hab n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hab n ASN 51 N 1.47 -2.28 -0.20 4.39 3.02 -0.80 -4.88 115.26 115.98 3hab n ASN 51 Ca 0.21 -0.83 -0.02 0.00 -0.03 0.00 0.00 54.58 53.91 3hab n ASN 51 Cb 0.59 -3.86 0.20 0.00 -0.61 0.00 0.00 39.78 36.09 3hab n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3hab h THR 52 N -1.93 1.22 -3.52 3.41 2.02 -1.73 -3.37 112.91 108.99 3hab h THR 52 Ca -0.60 -0.59 -0.70 0.00 0.77 0.00 0.00 66.41 65.29 3hab h THR 52 Cb 1.37 0.32 -0.33 0.00 -1.74 0.00 0.00 68.15 67.76 3hab h THR 52 CO 0.61 0.25 -0.56 -0.31 0.37 0.00 0.00 175.52 175.88 3hab s TYR 53 N -5.58 3.51 -0.19 3.16 2.02 -1.26 -5.08 117.35 113.93 3hab s TYR 53 Ca -0.11 -2.23 -0.09 0.00 -0.37 0.00 0.00 57.07 54.27 3hab s TYR 53 Cb 0.17 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.66 3hab s TYR 53 CO 0.80 -0.93 0.10 1.03 -1.57 0.00 0.00 175.55 174.98 3hab s ARG 54 N 1.19 4.04 0.10 -0.62 0.52 -1.26 -5.05 118.95 117.87 3hab s ARG 54 Ca 0.06 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.70 3hab s ARG 54 Cb -0.22 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 31.86 3hab s ARG 54 CO -0.03 0.33 1.27 -0.51 0.02 0.00 0.00 175.30 176.38 3hab s LEU 55 N 0.25 4.38 0.29 2.53 1.02 -1.26 -4.79 118.68 121.09 3hab s LEU 55 Ca 0.07 2.17 -0.16 0.00 0.02 0.00 0.00 54.13 56.22 3hab s LEU 55 Cb -0.12 -3.59 -0.09 0.00 0.02 0.00 0.00 46.19 42.42 3hab s LEU 55 CO -0.01 -0.53 0.73 -0.54 0.02 0.00 0.00 176.35 176.02 3hab s LYS 56 N 0.88 4.07 0.50 1.70 1.02 -1.26 -5.09 119.74 121.57 3hab s LYS 56 Ca 0.60 0.72 0.02 0.00 0.02 0.00 0.00 55.97 57.33 3hab s LYS 56 Cb -0.33 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 3hab s LYS 56 CO 0.31 0.24 0.04 -0.51 -0.92 0.00 0.00 175.35 174.50 3hab s LEU 57 N -2.65 2.40 -0.41 3.17 1.02 -1.26 -4.90 118.68 116.04 3hab s LEU 57 Ca 0.50 -1.59 0.04 0.00 0.02 0.00 0.00 54.13 53.11 3hab s LEU 57 Cb -0.12 -0.80 0.17 0.00 0.02 0.00 0.00 46.19 45.46 3hab s LEU 57 CO 0.19 -0.82 0.41 -0.47 0.02 0.00 0.00 176.35 175.67 3hab s TYR 58 N -2.85 0.11 -0.51 0.29 5.04 -1.26 -4.95 117.35 113.22 3hab s TYR 58 Ca 0.11 -1.45 -0.21 0.00 -2.44 0.00 0.00 57.07 53.08 3hab s TYR 58 Cb 0.02 -0.52 0.05 0.00 0.35 0.00 0.00 41.96 41.86 3hab s TYR 58 CO 0.06 -0.96 0.72 -1.12 -1.34 0.00 0.00 175.55 172.92 3hab s SER 59 N 0.75 6.27 0.27 4.32 0.01 -1.26 -5.04 113.70 119.02 3hab s SER 59 Ca 0.26 -0.66 0.08 0.00 1.31 0.00 0.00 55.95 56.94 3hab s SER 59 Cb -0.06 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3hab s SER 59 CO -0.09 -0.98 0.10 -1.48 0.41 0.00 0.00 173.24 171.20 3hab s LEU 60 N 3.05 3.45 -0.22 2.44 0.05 -1.26 -4.58 118.68 121.62 3hab s LEU 60 Ca 0.21 -0.50 0.00 0.00 0.05 0.00 0.00 54.13 53.89 3hab s LEU 60 Cb -0.16 -1.98 0.06 0.00 -2.05 0.00 0.00 46.19 42.05 3hab s LEU 60 CO 0.15 -0.05 -0.05 -0.13 -0.55 0.00 0.00 176.35 175.73 3hab s ARG 61 N -3.76 1.50 0.13 1.48 0.52 0.01 -4.94 118.95 113.88 3hab s ARG 61 Ca 0.33 -0.83 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 3hab s ARG 61 Cb -0.07 -2.42 -0.09 0.00 0.52 0.00 0.00 34.95 32.89 3hab s ARG 61 CO 0.22 -0.56 1.48 -1.58 0.02 0.00 0.00 175.30 174.88 3hab s TRP 62 N 1.49 3.10 -0.92 -0.53 0.52 -1.26 0.13 118.94 121.47 3hab s TRP 62 Ca -0.04 0.78 0.10 0.00 0.02 0.00 0.00 56.10 56.96 3hab s TRP 62 Cb -0.18 -3.80 -0.00 0.00 -1.15 0.00 0.00 33.47 28.34 3hab s TRP 62 CO -0.07 -2.89 0.64 0.44 0.02 0.00 0.00 176.95 175.08 3hab n ILE 63 N 4.04 0.00 -3.10 2.03 -5.35 -0.62 -4.91 119.36 111.45 3hab n ILE 63 Ca 0.13 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3hab n ILE 63 Cb 0.41 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 3hab n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hab n SER 64 N -0.23 0.00 0.00 7.28 3.41 -1.19 -4.98 113.62 117.91 3hab n SER 64 Ca 0.04 -0.73 0.14 0.00 -0.26 0.00 0.00 58.87 58.06 3hab n SER 64 Cb 0.21 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.78 3hab n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hab n ASP 65 N -0.46 0.00 0.00 4.04 5.75 -1.26 -1.91 116.55 122.71 3hab n ASP 65 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 3hab n ASP 65 Cb 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3hab n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hab n HIS 66 N -1.45 0.00 -3.87 2.11 1.44 -1.26 -4.49 115.22 107.70 3hab n HIS 66 Ca 0.08 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.68 3hab n HIS 66 Cb 0.30 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.31 3hab n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hab s GLU 67 N -0.32 0.46 0.12 -1.40 2.02 -1.26 -1.21 118.70 117.10 3hab s GLU 67 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.66 3hab s GLU 67 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 3hab s GLU 67 CO 0.00 -0.11 -0.05 1.52 0.02 0.00 0.00 175.26 176.64 3hab s TYR 68 N -1.27 0.98 0.00 1.61 -0.85 -0.80 -1.58 117.35 115.44 3hab s TYR 68 Ca -0.14 -0.93 -0.02 0.00 -0.52 0.00 0.00 57.07 55.47 3hab s TYR 68 Cb -0.07 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.67 3hab s TYR 68 CO 0.01 -0.15 0.17 -0.51 -1.52 0.00 0.00 175.55 173.56 3hab s LEU 69 N -3.08 4.31 -0.15 -3.49 1.43 0.12 -0.35 118.68 117.47 3hab s LEU 69 Ca 0.15 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3hab s LEU 69 Cb 0.05 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.71 3hab s LEU 69 CO -0.03 0.25 0.32 -0.47 0.23 0.00 0.00 176.35 176.66 3hab s TYR 70 N -1.34 -0.53 -0.30 0.29 5.04 -0.43 -0.81 117.35 119.28 3hab s TYR 70 Ca 0.28 1.13 -0.29 0.00 -2.44 0.00 0.00 57.07 55.75 3hab s TYR 70 Cb -0.13 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.32 3hab s TYR 70 CO 0.20 -0.36 1.06 0.21 -1.34 0.00 0.00 175.55 175.32 3hab s LYS 71 N 2.08 4.10 -0.14 4.97 2.20 -1.26 -1.03 119.74 130.64 3hab s LYS 71 Ca -0.03 1.11 -0.01 0.00 -0.36 0.00 0.00 55.97 56.67 3hab s LYS 71 Cb -0.11 -3.72 0.04 0.00 -1.51 0.00 0.00 37.83 32.53 3hab s LYS 71 CO -0.10 -0.85 -0.02 -1.14 -0.36 0.00 0.00 175.35 172.87 3hab s GLN 72 N 3.56 1.05 -1.40 4.03 0.74 0.19 -4.80 119.66 123.03 3hab s GLN 72 Ca 0.45 -0.31 -0.10 0.00 0.05 0.00 0.00 55.36 55.45 3hab s GLN 72 Cb -0.13 -1.73 0.03 0.00 1.10 0.00 0.00 33.01 32.29 3hab s GLN 72 CO 0.14 -0.43 1.13 0.39 -0.55 0.00 0.00 175.29 175.97 3hab n GLU 73 N 4.99 -7.33 -0.26 1.67 1.02 -1.26 -1.88 120.64 117.59 3hab n GLU 73 Ca -0.10 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3hab n GLU 73 Cb 0.48 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.12 3hab n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hab n ASN 74 N -2.98 0.00 -4.71 1.62 3.02 -1.26 -4.86 115.26 106.10 3hab n ASN 74 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 3hab n ASN 74 Cb 0.55 -1.09 -0.05 0.00 -0.61 0.00 0.00 39.78 38.58 3hab n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3hab s ASN 75 N -2.68 6.86 -0.25 6.41 0.01 -0.79 -3.95 114.94 120.55 3hab s ASN 75 Ca 0.00 1.03 -0.27 0.00 -0.71 0.00 0.00 52.86 52.92 3hab s ASN 75 Cb 0.00 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3hab s ASN 75 CO 0.00 -0.13 0.94 -0.63 -1.51 0.00 0.00 177.10 175.77 3hab s ILE 76 N 1.00 4.73 0.12 0.60 1.01 -0.46 -0.64 121.20 127.57 3hab s ILE 76 Ca 0.33 1.73 0.05 0.00 0.00 0.00 0.00 60.65 62.76 3hab s ILE 76 Cb -0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 3hab s ILE 76 CO 0.15 -0.18 0.08 -0.76 0.00 0.00 0.00 174.94 174.22 3hab s LEU 77 N 3.09 3.68 -0.16 2.97 1.43 -0.20 -0.05 118.68 129.44 3hab s LEU 77 Ca 0.39 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3hab s LEU 77 Cb -0.15 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 3hab s LEU 77 CO 0.08 0.12 -0.06 -0.69 0.23 0.00 0.00 176.35 176.04 3hab s VAL 78 N -1.55 3.60 -0.09 -1.59 1.01 -0.34 -1.31 120.40 120.13 3hab s VAL 78 Ca 0.29 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3hab s VAL 78 Cb -0.11 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3hab s VAL 78 CO 0.21 0.49 -0.01 -0.36 0.00 0.00 0.00 175.10 175.44 3hab s PHE 79 N 0.55 3.13 -0.15 5.22 0.08 0.52 -1.98 117.98 125.36 3hab s PHE 79 Ca -0.04 0.14 -0.29 0.00 0.12 0.00 0.00 56.93 56.86 3hab s PHE 79 Cb -0.15 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3hab s PHE 79 CO 0.03 0.42 1.00 1.21 -0.10 0.00 0.00 175.22 177.78 3hab s ASN 80 N -0.77 7.18 0.14 1.36 3.84 -0.22 -1.90 114.94 124.56 3hab s ASN 80 Ca 0.12 1.45 -0.11 0.00 0.21 0.00 0.00 52.86 54.53 3hab s ASN 80 Cb -0.11 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.00 3hab s ASN 80 CO 0.02 -0.51 1.48 0.00 -2.79 0.00 0.00 177.10 175.30 3hab h ALA 81 N 7.22 0.58 -0.37 1.71 0.00 -1.48 0.13 119.26 127.06 3hab h ALA 81 Ca -0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3hab h ALA 81 Cb 1.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hab h ALA 81 CO 0.89 0.66 0.19 1.49 0.00 0.00 0.00 179.25 182.49 3hab h GLU 82 N 0.76 0.51 0.00 0.00 4.57 -1.94 -3.33 114.58 115.15 3hab h GLU 82 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hab h GLU 82 Cb 0.94 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3hab h GLU 82 CO 0.09 0.43 -1.54 0.66 -1.18 0.00 0.00 179.01 177.47 3hab n TYR 83 N -4.75 0.00 -0.92 0.92 4.02 -1.24 -5.01 117.16 110.19 3hab n TYR 83 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3hab n TYR 83 Cb 0.09 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 3hab n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hab n GLY 84 N 1.75 0.79 3.78 2.72 0.00 0.47 -5.04 105.19 109.67 3hab n GLY 84 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3hab n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hab s ASN 85 N -2.61 5.14 0.21 1.61 4.22 -1.25 -4.79 114.94 117.48 3hab s ASN 85 Ca 0.00 1.87 -0.01 0.00 -2.14 0.00 0.00 52.86 52.58 3hab s ASN 85 Cb 0.00 -2.53 -0.04 0.00 1.28 0.00 0.00 41.25 39.96 3hab s ASN 85 CO 0.00 -1.61 0.17 -0.94 -2.04 0.00 0.00 177.10 172.68 3hab s SER 86 N -2.98 0.25 0.06 3.54 1.04 -1.26 -1.06 113.70 113.29 3hab s SER 86 Ca 0.64 -1.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 3hab s SER 86 Cb -0.18 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3hab s SER 86 CO 0.46 -0.88 0.03 -0.44 0.98 0.00 0.00 173.24 173.39 3hab s SER 87 N -3.17 0.38 -0.13 7.02 0.01 -0.84 -4.99 113.70 111.99 3hab s SER 87 Ca 0.38 -0.90 -0.29 0.00 1.31 0.00 0.00 55.95 56.45 3hab s SER 87 Cb 0.06 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 3hab s SER 87 CO 0.13 -0.63 1.16 -0.69 0.41 0.00 0.00 173.24 173.62 3hab s VAL 88 N -3.88 4.43 -0.14 3.43 1.01 -1.26 -1.20 120.40 122.79 3hab s VAL 88 Ca 0.06 1.73 -0.17 0.00 0.00 0.00 0.00 61.98 63.60 3hab s VAL 88 Cb 0.07 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 32.09 3hab s VAL 88 CO -0.10 -0.08 0.45 0.15 0.00 0.00 0.00 175.10 175.52 3hab h PHE 89 N 7.65 0.30 -2.84 5.22 3.04 -0.77 -3.46 116.94 126.08 3hab h PHE 89 Ca -0.28 -0.22 -0.19 0.00 3.98 0.00 0.00 57.97 61.25 3hab h PHE 89 Cb 1.12 -0.01 -0.31 0.00 2.56 0.00 0.00 35.95 39.31 3hab h PHE 89 CO 0.75 1.54 -0.49 -1.17 -2.02 0.00 0.00 178.31 176.92 3hab s LEU 90 N -7.60 -0.21 0.39 0.59 2.96 -0.67 -5.01 118.68 109.12 3hab s LEU 90 Ca -0.23 0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 54.07 3hab s LEU 90 Cb 0.05 0.81 -0.09 0.00 0.50 0.00 0.00 46.19 47.46 3hab s LEU 90 CO 0.71 -0.22 1.19 -1.61 -1.32 0.00 0.00 176.35 175.10 3hab s GLU 91 N 2.20 4.10 0.55 1.98 2.02 -1.26 -1.36 118.70 126.94 3hab s GLU 91 Ca -0.01 1.90 0.24 0.00 0.02 0.00 0.00 54.97 57.11 3hab s GLU 91 Cb -0.12 -2.75 1.54 0.00 0.10 0.00 0.00 34.13 32.91 3hab s GLU 91 CO -0.09 -0.29 2.18 -2.95 0.02 0.00 0.00 175.26 174.12 3hab h ASN 92 N 2.77 0.00 1.66 -0.19 -1.07 -1.89 -2.62 115.58 114.24 3hab h ASN 92 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 3hab h ASN 92 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 3hab h ASN 92 CO 0.63 0.03 0.00 0.77 0.07 0.00 0.00 177.43 178.93 3hab h SER 93 N 0.00 0.00 -0.97 6.14 4.64 -1.92 -3.36 113.55 118.09 3hab h SER 93 Ca -0.00 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.58 3hab h SER 93 Cb 0.06 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.02 3hab h SER 93 CO 0.00 0.00 0.52 0.74 -0.87 0.00 0.00 176.83 177.23 3hab h THR 94 N 0.00 0.46 -0.73 2.95 2.02 -1.86 -1.01 112.91 114.74 3hab h THR 94 Ca 0.00 -0.16 -0.43 0.00 0.77 0.00 0.00 66.41 66.60 3hab h THR 94 Cb 0.83 -0.04 -0.24 0.00 -1.74 0.00 0.00 68.15 66.95 3hab h THR 94 CO 0.00 0.08 0.27 0.49 0.37 0.00 0.00 175.52 176.74 3hab n PHE 95 N -4.98 2.33 -0.29 3.16 3.72 -1.26 -4.73 117.46 115.41 3hab n PHE 95 Ca 0.27 -2.03 0.01 0.00 -0.05 0.00 0.00 57.45 55.65 3hab n PHE 95 Cb 0.77 -0.82 0.15 0.00 -0.94 0.00 0.00 39.48 38.64 3hab n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3hab h ASP 96 N 1.31 0.71 -0.68 4.37 3.32 -1.41 -2.31 116.42 121.73 3hab h ASP 96 Ca 0.45 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.40 3hab h ASP 96 Cb 1.90 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 41.26 3hab h ASP 96 CO 0.90 0.43 0.17 -0.62 -1.72 0.00 0.00 179.24 178.40 3hab n GLU 97 N -4.71 4.17 -0.20 3.56 4.71 -1.26 -4.67 120.64 122.23 3hab n GLU 97 Ca 0.12 -3.13 0.01 0.00 -0.01 0.00 0.00 57.16 54.15 3hab n GLU 97 Cb 0.23 -2.24 0.26 0.00 -1.01 0.00 0.00 31.44 28.67 3hab n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3hab h PHE 98 N 3.16 0.92 0.00 -0.32 3.57 -1.76 -3.46 116.94 119.05 3hab h PHE 98 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hab h PHE 98 Cb 2.21 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.63 3hab h PHE 98 CO 1.22 0.58 0.00 0.41 -2.23 0.00 0.00 178.31 178.29 3hab n GLY 99 N -1.42 3.41 3.24 2.40 0.00 -1.26 -5.03 105.19 106.53 3hab n GLY 99 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3hab n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hab s HIS 100 N -2.94 1.70 -0.10 1.61 3.76 -1.26 -5.10 115.29 112.95 3hab s HIS 100 Ca 0.00 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.23 3hab s HIS 100 Cb 0.00 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 3hab s HIS 100 CO 0.00 0.11 1.53 0.45 -0.85 0.00 0.00 174.74 175.98 3hab s SER 101 N -1.36 6.72 -0.15 1.40 0.15 -1.26 -4.98 113.70 114.22 3hab s SER 101 Ca 0.06 2.02 -0.26 0.00 0.70 0.00 0.00 55.95 58.47 3hab s SER 101 Cb -0.09 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 3hab s SER 101 CO 0.02 -0.91 0.85 -0.63 1.20 0.00 0.00 173.24 173.78 3hab s ILE 102 N 3.98 4.87 -0.06 6.45 1.01 -1.26 -4.41 121.20 131.77 3hab s ILE 102 Ca 0.68 1.69 -0.24 0.00 0.00 0.00 0.00 60.65 62.78 3hab s ILE 102 Cb -0.29 -4.16 -0.26 0.00 0.01 0.00 0.00 42.46 37.76 3hab s ILE 102 CO 0.25 0.03 0.95 -1.13 0.00 0.00 0.00 174.94 175.04 3hab h ASN 103 N 7.27 0.28 -5.19 3.58 -1.24 0.12 -3.49 115.58 116.91 3hab h ASN 103 Ca -0.30 -0.87 -0.08 0.00 0.71 0.00 0.00 56.30 55.77 3hab h ASN 103 Cb 1.14 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 3hab h ASN 103 CO 0.84 1.12 0.04 -0.62 -1.29 0.00 0.00 177.43 177.52 3hab s ASP 104 N -6.53 0.15 0.05 1.15 -1.08 -1.16 -5.02 116.67 104.23 3hab s ASP 104 Ca -0.16 -1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 50.79 3hab s ASP 104 Cb 0.00 0.71 -0.03 0.00 -1.46 0.00 0.00 42.92 42.14 3hab s ASP 104 CO 0.77 -1.38 -0.00 -0.72 0.52 0.00 0.00 175.17 174.36 3hab s TYR 105 N -3.26 0.41 -0.19 -5.34 1.13 -1.26 -1.09 117.35 107.75 3hab s TYR 105 Ca 0.20 -0.88 -0.04 0.00 -1.41 0.00 0.00 57.07 54.94 3hab s TYR 105 Cb -0.03 -0.30 0.10 0.00 -1.10 0.00 0.00 41.96 40.62 3hab s TYR 105 CO 0.12 -0.36 0.30 0.45 -2.51 0.00 0.00 175.55 173.55 3hab s SER 106 N -2.58 0.61 0.04 -0.18 0.15 0.01 -4.96 113.70 106.79 3hab s SER 106 Ca 0.02 0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.67 3hab s SER 106 Cb 0.04 0.78 -0.06 0.00 -1.71 0.00 0.00 66.02 65.07 3hab s SER 106 CO -0.08 -0.29 0.74 -0.63 1.20 0.00 0.00 173.24 174.19 3hab s ILE 107 N 2.44 4.75 0.58 6.45 1.01 -1.26 0.15 121.20 135.33 3hab s ILE 107 Ca 0.06 1.58 -0.20 0.00 0.00 0.00 0.00 60.65 62.09 3hab s ILE 107 Cb -0.14 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3hab s ILE 107 CO -0.12 0.38 1.30 -0.94 0.00 0.00 0.00 174.94 175.56 3hab s SER 108 N -0.10 5.06 0.45 3.58 1.04 0.46 -4.89 113.70 119.31 3hab s SER 108 Ca 0.37 2.64 0.19 0.00 0.48 0.00 0.00 55.95 59.63 3hab s SER 108 Cb -0.20 -2.62 1.16 0.00 0.10 0.00 0.00 66.02 64.45 3hab s SER 108 CO 0.22 -1.70 1.92 -0.65 0.98 0.00 0.00 173.24 174.01 3hab h PRO 109 N 1.08 0.29 -0.00 4.02 0.11 -1.81 0.69 132.00 136.38 3hab h PRO 109 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hab h PRO 109 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hab h PRO 109 CO 0.56 0.19 -0.04 -0.40 -0.21 0.00 0.00 178.00 178.10 3hab n ASP 110 N -4.45 0.13 0.00 -2.05 3.85 -1.13 -4.85 116.55 108.04 3hab n ASP 110 Ca 0.15 -0.23 0.00 0.00 -0.71 0.00 0.00 54.79 54.00 3hab n ASP 110 Cb 0.61 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 3hab n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hab n GLY 111 N 1.30 0.89 0.16 6.12 0.00 0.23 -4.92 105.19 108.97 3hab n GLY 111 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3hab n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hab h GLN 112 N 3.02 0.00 -4.66 1.61 4.20 -1.92 -3.45 115.11 113.91 3hab h GLN 112 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 3hab h GLN 112 Cb 0.00 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.57 3hab h GLN 112 CO 0.00 0.35 -0.74 -0.06 -0.67 0.00 0.00 178.83 177.71 3hab s PHE 113 N -3.03 0.74 -0.09 2.96 0.08 -1.26 -0.62 117.98 116.75 3hab s PHE 113 Ca 0.04 -0.49 0.04 0.00 0.12 0.00 0.00 56.93 56.64 3hab s PHE 113 Cb 0.07 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 3hab s PHE 113 CO 0.73 -0.07 -0.21 -1.50 -0.10 0.00 0.00 175.22 174.08 3hab s ILE 114 N -1.35 1.80 -0.22 0.64 2.07 -0.46 -0.40 121.20 123.29 3hab s ILE 114 Ca -0.09 -0.87 -0.18 0.00 -1.41 0.00 0.00 60.65 58.10 3hab s ILE 114 Cb -0.10 -1.57 -0.03 0.00 0.13 0.00 0.00 42.46 40.89 3hab s ILE 114 CO 0.01 0.50 0.52 -0.22 -1.91 0.00 0.00 174.94 173.84 3hab s LEU 115 N 0.42 4.11 -0.28 8.50 2.96 0.12 -0.96 118.68 133.56 3hab s LEU 115 Ca -0.17 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.28 3hab s LEU 115 Cb -0.17 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 3hab s LEU 115 CO 0.07 -0.23 0.12 -0.76 -1.32 0.00 0.00 176.35 174.23 3hab s LEU 116 N 1.92 3.77 -0.18 -0.68 1.02 0.14 -0.81 118.68 123.86 3hab s LEU 116 Ca 0.23 -0.29 -0.09 0.00 0.02 0.00 0.00 54.13 54.00 3hab s LEU 116 Cb -0.15 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 3hab s LEU 116 CO 0.09 -0.10 0.13 -0.70 0.02 0.00 0.00 176.35 175.80 3hab s GLU 117 N 1.64 4.04 0.33 1.70 2.12 -0.25 -1.49 118.70 126.79 3hab s GLU 117 Ca 0.06 -0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 3hab s GLU 117 Cb -0.16 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.89 3hab s GLU 117 CO 0.06 0.39 0.65 1.52 -0.54 0.00 0.00 175.26 177.33 3hab s TYR 118 N 0.10 0.31 -1.55 5.30 1.13 -0.68 0.88 117.35 122.84 3hab s TYR 118 Ca 0.09 -0.79 -0.14 0.00 -1.41 0.00 0.00 57.07 54.82 3hab s TYR 118 Cb -0.11 0.48 0.09 0.00 -1.10 0.00 0.00 41.96 41.32 3hab s TYR 118 CO -0.01 -1.30 0.97 0.09 -2.51 0.00 0.00 175.55 172.79 3hab n ASN 119 N -1.02 -4.65 -4.73 -0.18 3.02 -1.26 0.24 115.26 106.69 3hab n ASN 119 Ca -0.04 -0.80 -0.42 0.00 -0.03 0.00 0.00 54.58 53.29 3hab n ASN 119 Cb 0.60 -3.79 -0.03 0.00 -0.61 0.00 0.00 39.78 35.96 3hab n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hab s TYR 120 N -3.31 2.95 -0.18 3.10 5.04 -1.26 -4.24 117.35 119.45 3hab s TYR 120 Ca 0.66 0.60 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 3hab s TYR 120 Cb -0.33 -4.02 0.06 0.00 0.35 0.00 0.00 41.96 38.02 3hab s TYR 120 CO 0.84 -3.68 0.05 0.08 -1.34 0.00 0.00 175.55 171.50 3hab s VAL 121 N 0.81 0.38 0.41 3.14 1.01 -0.28 -5.01 120.40 120.87 3hab s VAL 121 Ca 0.69 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 3hab s VAL 121 Cb -0.46 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 34.92 3hab s VAL 121 CO 0.36 -0.20 1.45 -0.75 0.00 0.00 0.00 175.10 175.96 3hab s LYS 122 N 1.93 3.91 0.00 2.72 2.20 -1.26 -1.32 119.74 127.91 3hab s LYS 122 Ca 0.00 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 3hab s LYS 122 Cb -0.17 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3hab s LYS 122 CO -0.08 -0.66 0.00 0.94 -0.36 0.00 0.00 175.35 175.20 3hab n GLN 123 N 0.15 0.00 0.00 4.03 7.27 0.16 -4.86 117.38 124.12 3hab n GLN 123 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3hab n GLN 123 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 3hab n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3hab n TRP 124 N 0.00 0.00 -0.19 3.69 5.03 -1.15 -4.92 117.44 119.90 3hab n TRP 124 Ca 0.00 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.44 3hab n TRP 124 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.32 3hab n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3hab h ARG 125 N 0.00 1.04 0.00 -0.99 2.43 -1.97 -3.37 114.38 111.52 3hab h ARG 125 Ca 0.00 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 3hab h ARG 125 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3hab h ARG 125 CO 0.00 1.04 -1.44 0.72 -1.51 0.00 0.00 179.97 178.78 3hab n HIS 126 N -4.17 0.00 -2.38 2.20 8.25 -1.26 -5.06 115.22 112.80 3hab n HIS 126 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 3hab n HIS 126 Cb 0.37 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3hab n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hab s SER 127 N -3.82 6.05 0.03 0.41 1.04 -1.26 -4.67 113.70 111.49 3hab s SER 127 Ca -0.03 2.00 -0.28 0.00 0.48 0.00 0.00 55.95 58.12 3hab s SER 127 Cb 0.02 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.67 3hab s SER 127 CO 0.26 -0.98 0.95 -0.72 0.98 0.00 0.00 173.24 173.72 3hab s TYR 128 N -1.96 -0.25 0.28 5.02 -0.85 -1.26 -0.67 117.35 117.66 3hab s TYR 128 Ca 0.69 0.07 0.11 0.00 -0.52 0.00 0.00 57.07 57.41 3hab s TYR 128 Cb -0.19 0.57 -0.05 0.00 0.38 0.00 0.00 41.96 42.67 3hab s TYR 128 CO 0.24 -0.60 -0.11 0.95 -1.52 0.00 0.00 175.55 174.51 3hab s THR 129 N -3.10 2.80 0.25 -3.49 -4.23 -0.44 -4.63 115.64 102.80 3hab s THR 129 Ca 0.08 -2.19 -0.19 0.00 -1.18 0.00 0.00 61.69 58.21 3hab s THR 129 Cb -0.01 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3hab s THR 129 CO -0.05 -0.36 0.63 0.00 -0.54 0.00 0.00 174.62 174.30 3hab s ALA 130 N -2.46 -1.04 0.20 3.99 0.00 -0.84 -1.12 121.76 120.50 3hab s ALA 130 Ca 0.31 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3hab s ALA 130 Cb -0.05 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3hab s ALA 130 CO 0.17 -0.94 0.34 -1.12 0.00 0.00 0.00 175.76 174.21 3hab s SER 131 N -2.91 6.33 0.00 0.00 0.01 0.14 -1.83 113.70 115.43 3hab s SER 131 Ca 0.12 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.55 3hab s SER 131 Cb -0.04 -1.90 -0.00 0.00 0.21 0.00 0.00 66.02 64.28 3hab s SER 131 CO 0.04 -0.03 -0.03 -0.31 0.41 0.00 0.00 173.24 173.32 3hab s TYR 132 N -1.89 0.24 0.16 2.43 1.51 -1.26 -1.68 117.35 116.86 3hab s TYR 132 Ca 0.35 -0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.41 3hab s TYR 132 Cb -0.10 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 3hab s TYR 132 CO 0.29 -0.02 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.02 3hab s ASP 133 N -0.19 2.68 -0.13 2.29 1.01 -0.56 -4.49 116.67 117.29 3hab s ASP 133 Ca -0.00 -0.84 0.01 0.00 0.71 0.00 0.00 52.55 52.43 3hab s ASP 133 Cb -0.02 -0.16 -0.00 0.00 1.01 0.00 0.00 42.92 43.75 3hab s ASP 133 CO -0.00 -0.02 -0.17 -0.63 0.21 0.00 0.00 175.17 174.56 3hab s ILE 134 N -1.92 2.58 -0.16 0.77 1.01 -1.26 0.29 121.20 122.51 3hab s ILE 134 Ca 0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3hab s ILE 134 Cb -0.06 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3hab s ILE 134 CO 0.06 0.53 -0.04 -0.47 0.00 0.00 0.00 174.94 175.03 3hab s TYR 135 N 0.52 3.01 -0.40 3.97 5.04 -0.13 -0.49 117.35 128.87 3hab s TYR 135 Ca -0.11 -0.32 -0.29 0.00 -2.44 0.00 0.00 57.07 53.91 3hab s TYR 135 Cb -0.16 -1.96 0.02 0.00 0.35 0.00 0.00 41.96 40.21 3hab s TYR 135 CO 0.04 -0.05 1.09 0.34 -1.34 0.00 0.00 175.55 175.63 3hab s ASP 136 N 0.39 6.76 0.49 4.32 -1.08 0.75 -1.35 116.67 126.95 3hab s ASP 136 Ca -0.04 0.71 0.28 0.00 -0.52 0.00 0.00 52.55 52.98 3hab s ASP 136 Cb -0.14 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.71 3hab s ASP 136 CO 0.03 -1.06 1.82 -0.07 0.52 0.00 0.00 175.17 176.41 3hab h LEU 137 N 10.64 0.00 0.07 -1.34 3.38 -1.17 -0.09 115.31 126.80 3hab h LEU 137 Ca -0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.47 3hab h LEU 137 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3hab h LEU 137 CO 1.07 0.06 -1.51 0.78 0.09 0.00 0.00 178.44 178.94 3hab h ASN 138 N 0.00 0.23 -0.30 -0.43 2.35 -1.91 -3.34 115.58 112.18 3hab h ASN 138 Ca -0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 3hab h ASN 138 Cb 0.73 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hab h ASN 138 CO 0.01 1.63 0.00 2.29 -1.65 0.00 0.00 177.43 179.71 3hab n LYS 139 N -4.01 1.92 -3.88 0.81 2.85 -1.25 -4.96 118.16 109.64 3hab n LYS 139 Ca -0.30 -1.40 -0.27 0.00 -1.05 0.00 0.00 58.31 55.29 3hab n LYS 139 Cb 0.85 -1.38 0.02 0.00 -0.65 0.00 0.00 35.03 33.87 3hab n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hab n ARG 140 N 0.62 -4.91 -3.87 -1.58 5.12 -0.09 -4.97 116.66 106.98 3hab n ARG 140 Ca 0.16 0.57 -0.11 0.00 -1.93 0.00 0.00 57.85 56.53 3hab n ARG 140 Cb 0.37 -5.26 -0.11 0.00 -1.16 0.00 0.00 32.46 26.30 3hab n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hab s GLN 141 N -6.45 0.36 0.25 5.56 -0.21 -0.97 -4.98 119.66 113.23 3hab s GLN 141 Ca 0.40 -0.23 -0.30 0.00 0.02 0.00 0.00 55.36 55.25 3hab s GLN 141 Cb -0.20 0.15 -0.10 0.00 1.00 0.00 0.00 33.01 33.86 3hab s GLN 141 CO 0.84 -0.08 1.37 -0.51 -2.12 0.00 0.00 175.29 174.80 3hab s LEU 142 N -0.92 4.40 -0.03 2.90 1.43 -1.26 -0.18 118.68 125.03 3hab s LEU 142 Ca -0.10 2.59 -0.30 0.00 -1.03 0.00 0.00 54.13 55.29 3hab s LEU 142 Cb -0.06 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3hab s LEU 142 CO 0.01 -0.61 1.12 -0.63 0.23 0.00 0.00 176.35 176.47 3hab s ILE 143 N -0.19 4.42 -0.39 -0.59 1.09 0.35 -4.90 121.20 121.00 3hab s ILE 143 Ca 0.56 1.73 0.11 0.00 -1.10 0.00 0.00 60.65 61.95 3hab s ILE 143 Cb -0.40 -4.11 -0.14 0.00 -1.06 0.00 0.00 42.46 36.76 3hab s ILE 143 CO 0.44 0.06 0.41 0.35 -0.10 0.00 0.00 174.94 176.09 3hab n THR 144 N 4.30 0.00 -3.33 2.92 -2.24 -1.26 -4.63 114.28 110.04 3hab n THR 144 Ca 0.09 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 3hab n THR 144 Cb 0.48 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3hab n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hab s GLU 145 N -2.25 4.14 -1.30 -0.78 0.41 -1.26 -4.50 118.70 113.15 3hab s GLU 145 Ca 0.02 0.65 -0.01 0.00 -0.41 0.00 0.00 54.97 55.21 3hab s GLU 145 Cb 0.08 -3.24 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 3hab s GLU 145 CO 0.46 0.63 0.70 0.39 -0.49 0.00 0.00 175.26 176.95 3hab n GLU 146 N 1.84 -4.61 -2.00 1.61 -0.58 -1.26 -4.62 120.64 111.01 3hab n GLU 146 Ca -0.11 0.61 -0.35 0.00 -0.42 0.00 0.00 57.16 56.89 3hab n GLU 146 Cb 0.51 -5.12 0.03 0.00 -0.57 0.00 0.00 31.44 26.29 3hab n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3hab s ARG 147 N -5.96 3.00 0.23 3.49 0.52 -1.26 -4.81 118.95 114.16 3hab s ARG 147 Ca 0.03 1.67 -0.32 0.00 -0.52 0.00 0.00 55.73 56.59 3hab s ARG 147 Cb -0.01 -1.95 -0.12 0.00 0.52 0.00 0.00 34.95 33.39 3hab s ARG 147 CO 0.82 -1.14 1.70 0.42 0.02 0.00 0.00 175.30 177.11 3hab s ILE 148 N -1.82 2.00 0.89 1.52 1.01 -1.26 -4.98 121.20 118.56 3hab s ILE 148 Ca 0.74 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.28 3hab s ILE 148 Cb -0.26 -3.00 0.13 0.00 0.01 0.00 0.00 42.46 39.34 3hab s ILE 148 CO 0.33 0.00 1.11 -2.16 0.00 0.00 0.00 174.94 174.22 3hab s PRO 149 N 0.78 1.22 0.73 2.79 0.04 -1.26 -4.56 135.00 134.74 3hab s PRO 149 Ca 0.72 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 3hab s PRO 149 Cb -0.50 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3hab s PRO 149 CO 0.36 -2.39 1.08 -0.80 0.04 0.00 0.00 177.00 175.28 3hab s ASN 150 N -2.98 4.96 -1.60 6.66 0.01 -1.26 -3.67 114.94 117.06 3hab s ASN 150 Ca 0.65 1.72 -0.03 0.00 -0.71 0.00 0.00 52.86 54.48 3hab s ASN 150 Cb -0.21 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 38.95 3hab s ASN 150 CO 0.58 -1.73 0.40 0.59 -1.51 0.00 0.00 177.10 175.44 3hab n ASN 151 N -3.31 -5.91 -4.74 -1.22 3.02 -1.16 -4.97 115.26 96.97 3hab n ASN 151 Ca 0.08 -0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 3hab n ASN 151 Cb 0.53 -4.82 -0.03 0.00 -0.61 0.00 0.00 39.78 34.85 3hab n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hab s THR 152 N -3.11 3.06 -0.06 3.41 2.01 -0.76 -4.58 115.64 115.61 3hab s THR 152 Ca 0.21 0.87 0.10 0.00 0.31 0.00 0.00 61.69 63.18 3hab s THR 152 Cb -0.09 -3.56 -0.23 0.00 0.01 0.00 0.00 72.50 68.62 3hab s THR 152 CO 0.26 0.13 0.60 0.00 -0.69 0.00 0.00 174.62 174.92 3hab n GLN 153 N 2.60 0.65 -3.66 4.92 6.02 0.59 -1.98 117.38 126.52 3hab n GLN 153 Ca 0.06 0.28 -0.14 0.00 -0.01 0.00 0.00 57.00 57.20 3hab n GLN 153 Cb 0.42 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 3hab n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3hab s TRP 154 N -2.59 -0.60 -0.00 1.08 -0.11 -1.17 -4.64 118.94 110.91 3hab s TRP 154 Ca -0.07 1.36 -0.00 0.00 1.22 0.00 0.00 56.10 58.61 3hab s TRP 154 Cb 0.08 0.24 -0.00 0.00 -1.50 0.00 0.00 33.47 32.28 3hab s TRP 154 CO 0.82 -0.36 0.01 0.54 -4.62 0.00 0.00 176.95 173.33 3hab s VAL 155 N -0.10 0.02 -0.15 5.86 0.11 -1.26 -0.68 120.40 124.20 3hab s VAL 155 Ca -0.03 -0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 58.80 3hab s VAL 155 Cb -0.03 -0.06 0.05 0.00 -1.53 0.00 0.00 36.38 34.80 3hab s VAL 155 CO 0.03 -0.07 0.36 0.28 -3.33 0.00 0.00 175.10 172.37 3hab s THR 156 N -0.20 -0.02 0.65 5.04 -1.32 -0.28 -5.01 115.64 114.49 3hab s THR 156 Ca -0.02 0.08 -0.17 0.00 -1.21 0.00 0.00 61.69 60.36 3hab s THR 156 Cb -0.01 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.43 3hab s THR 156 CO -0.00 0.03 1.22 0.26 -2.21 0.00 0.00 174.62 173.92 3hab s TRP 157 N 1.05 2.24 0.87 9.09 0.52 -1.26 -1.37 118.94 130.07 3hab s TRP 157 Ca -0.07 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.48 3hab s TRP 157 Cb -0.07 -3.51 0.12 0.00 -1.15 0.00 0.00 33.47 28.86 3hab s TRP 157 CO -0.08 -2.45 1.15 -1.54 0.02 0.00 0.00 176.95 174.05 3hab s SER 158 N -1.72 3.27 0.44 2.95 1.04 0.04 -4.87 113.70 114.84 3hab s SER 158 Ca 0.77 2.19 0.30 0.00 0.48 0.00 0.00 55.95 59.69 3hab s SER 158 Cb -0.31 -2.57 1.18 0.00 0.10 0.00 0.00 66.02 64.42 3hab s SER 158 CO 0.38 -2.88 1.87 -0.65 0.98 0.00 0.00 173.24 172.95 3hab h PRO 159 N -1.55 0.00 -4.96 4.02 0.11 -1.82 -3.43 132.00 124.37 3hab h PRO 159 Ca -0.44 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.25 3hab h PRO 159 Cb 1.27 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.10 3hab h PRO 159 CO 0.44 0.00 -0.79 0.08 -0.21 0.00 0.00 178.00 177.52 3hab s VAL 160 N -3.51 0.87 0.00 3.15 1.01 -1.26 -4.79 120.40 115.86 3hab s VAL 160 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3hab s VAL 160 Cb 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3hab s VAL 160 CO 0.50 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3hab n GLY 161 N 2.65 0.37 1.97 4.51 0.00 -1.26 -4.53 105.19 108.89 3hab n GLY 161 Ca -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 3hab n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hab n HIS 162 N 12.05 -1.15 -1.81 1.61 1.44 -1.26 -2.86 115.22 123.24 3hab n HIS 162 Ca 0.00 -1.21 -0.32 0.00 -2.01 0.00 0.00 57.72 54.19 3hab n HIS 162 Cb 0.00 1.09 0.03 0.00 0.12 0.00 0.00 29.99 31.22 3hab n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hab s LYS 163 N 0.02 3.15 -0.00 -1.40 1.02 -1.26 -4.56 119.74 116.71 3hab s LYS 163 Ca 0.06 1.06 0.05 0.00 0.02 0.00 0.00 55.97 57.15 3hab s LYS 163 Cb 0.26 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 3hab s LYS 163 CO -0.08 -0.93 -0.15 -0.51 -0.92 0.00 0.00 175.35 172.76 3hab s LEU 164 N -5.03 2.05 -0.09 3.17 1.43 0.25 -0.78 118.68 119.68 3hab s LEU 164 Ca 0.60 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 3hab s LEU 164 Cb -0.15 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 3hab s LEU 164 CO 0.46 0.17 -0.21 0.00 0.23 0.00 0.00 176.35 177.00 3hab s ALA 165 N -0.43 2.32 0.07 4.21 0.00 -0.47 -0.49 121.76 126.96 3hab s ALA 165 Ca 0.05 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 3hab s ALA 165 Cb -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3hab s ALA 165 CO -0.00 0.35 -0.04 1.52 0.00 0.00 0.00 175.76 177.59 3hab s TYR 166 N 0.07 0.65 -0.11 0.00 1.13 -0.11 -1.12 117.35 117.85 3hab s TYR 166 Ca -0.09 -1.01 0.03 0.00 -1.41 0.00 0.00 57.07 54.59 3hab s TYR 166 Cb -0.15 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 3hab s TYR 166 CO 0.06 -0.30 -0.23 0.08 -2.51 0.00 0.00 175.55 172.65 3hab s VAL 167 N -3.80 2.15 -0.10 -3.49 1.01 0.14 -0.24 120.40 116.07 3hab s VAL 167 Ca 0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 3hab s VAL 167 Cb 0.07 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3hab s VAL 167 CO -0.08 0.55 0.23 0.86 0.00 0.00 0.00 175.10 176.66 3hab s TRP 168 N 0.45 -0.29 -1.58 5.22 -0.00 -0.45 -0.30 118.94 121.99 3hab s TRP 168 Ca -0.16 0.72 -0.15 0.00 -0.00 0.00 0.00 56.10 56.52 3hab s TRP 168 Cb -0.17 0.03 0.10 0.00 -0.00 0.00 0.00 33.47 33.44 3hab s TRP 168 CO 0.06 -0.21 0.90 0.09 -0.00 0.00 0.00 176.95 177.80 3hab n ASN 169 N 4.05 -4.14 0.00 5.86 5.03 -1.26 -2.15 115.26 122.65 3hab n ASN 169 Ca -0.24 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.36 3hab n ASN 169 Cb 0.54 -3.53 0.00 0.00 -1.02 0.00 0.00 39.78 35.77 3hab n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3hab n ASN 170 N -2.79 -4.20 -4.53 6.41 5.03 -1.26 -4.31 115.26 109.61 3hab n ASN 170 Ca 0.03 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.21 3hab n ASN 170 Cb 0.52 -2.10 -0.10 0.00 -1.02 0.00 0.00 39.78 37.08 3hab n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3hab s ASP 171 N -2.05 4.05 -0.07 6.41 -0.00 -0.91 -1.78 116.67 122.32 3hab s ASP 171 Ca 0.00 -0.61 -0.13 0.00 -0.00 0.00 0.00 52.55 51.81 3hab s ASP 171 Cb 0.00 -0.62 -0.05 0.00 -0.00 0.00 0.00 42.92 42.25 3hab s ASP 171 CO 0.00 0.13 0.33 -0.63 -0.00 0.00 0.00 175.17 175.00 3hab s ILE 172 N -1.55 5.21 0.07 0.77 1.01 -1.26 -1.34 121.20 124.11 3hab s ILE 172 Ca 0.22 0.65 0.06 0.00 0.00 0.00 0.00 60.65 61.58 3hab s ILE 172 Cb -0.09 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3hab s ILE 172 CO 0.13 0.52 -0.15 -0.31 0.00 0.00 0.00 174.94 175.13 3hab s TYR 173 N -0.56 1.31 -0.05 3.97 1.51 0.66 -0.25 117.35 123.95 3hab s TYR 173 Ca 0.20 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3hab s TYR 173 Cb -0.15 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3hab s TYR 173 CO 0.09 0.08 -0.14 0.08 -1.11 0.00 0.00 175.55 174.55 3hab s VAL 174 N -1.23 1.25 -0.21 0.71 1.01 -0.49 -0.93 120.40 120.51 3hab s VAL 174 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3hab s VAL 174 Cb -0.10 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 3hab s VAL 174 CO 0.03 0.37 -0.08 -0.54 0.00 0.00 0.00 175.10 174.88 3hab s LYS 175 N 0.34 3.28 0.16 2.72 1.02 0.35 -0.36 119.74 127.26 3hab s LYS 175 Ca -0.09 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 3hab s LYS 175 Cb -0.13 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3hab s LYS 175 CO 0.03 -0.20 1.41 0.82 -0.92 0.00 0.00 175.35 176.49 3hab h ILE 176 N 5.77 1.35 -4.01 2.17 1.08 -1.84 0.72 117.51 122.75 3hab h ILE 176 Ca -0.43 -2.07 -0.38 0.00 -0.39 0.00 0.00 64.86 61.60 3hab h ILE 176 Cb 1.16 2.05 -0.27 0.00 -3.07 0.00 0.00 36.82 36.68 3hab h ILE 176 CO 0.61 0.63 -0.77 -1.61 -0.69 0.00 0.00 178.15 176.32 3hab s GLU 177 N -3.68 0.71 0.53 2.37 0.41 -1.26 -4.27 118.70 113.50 3hab s GLU 177 Ca -0.07 -0.45 0.21 0.00 -0.41 0.00 0.00 54.97 54.25 3hab s GLU 177 Cb 0.10 -0.66 1.35 0.00 -1.78 0.00 0.00 34.13 33.13 3hab s GLU 177 CO 0.86 0.17 2.07 -1.35 -0.49 0.00 0.00 175.26 176.52 3hab h PRO 178 N 5.55 0.00 -0.22 0.39 0.11 -1.86 -1.28 132.00 134.69 3hab h PRO 178 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hab h PRO 178 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hab h PRO 178 CO 0.47 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 3hab n ASN 179 N -4.44 2.41 -4.85 -2.05 6.94 -1.26 -4.84 115.26 107.17 3hab n ASN 179 Ca 0.03 -1.82 -0.25 0.00 -0.02 0.00 0.00 54.58 52.52 3hab n ASN 179 Cb 0.35 -0.14 -0.04 0.00 -2.36 0.00 0.00 39.78 37.59 3hab n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hab s LEU 180 N -1.61 3.95 0.56 -4.53 1.43 -0.48 -4.58 118.68 113.42 3hab s LEU 180 Ca 0.34 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 3hab s LEU 180 Cb 0.20 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3hab s LEU 180 CO 0.29 0.03 1.30 -2.65 0.23 0.00 0.00 176.35 175.55 3hab n PRO 181 N -0.67 1.51 -2.65 1.29 -0.02 -1.26 -4.83 135.00 128.37 3hab n PRO 181 Ca -0.08 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 3hab n PRO 181 Cb 0.55 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3hab n PRO 181 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hab s SER 182 N -1.01 6.78 -0.24 2.55 0.01 -1.26 -4.71 113.70 115.81 3hab s SER 182 Ca 0.74 1.89 -0.15 0.00 1.31 0.00 0.00 55.95 59.73 3hab s SER 182 Cb -0.42 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.21 3hab s SER 182 CO 0.48 -0.47 0.39 -0.31 0.41 0.00 0.00 173.24 173.73 3hab s TYR 183 N -1.87 3.30 -0.16 2.43 2.02 0.52 -4.92 117.35 118.67 3hab s TYR 183 Ca 0.60 0.50 -0.29 0.00 -0.37 0.00 0.00 57.07 57.51 3hab s TYR 183 Cb -0.17 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 38.83 3hab s TYR 183 CO 0.21 -0.14 1.22 0.50 -1.57 0.00 0.00 175.55 175.77 3hab s ARG 184 N 1.75 4.25 -0.11 -0.62 6.06 -1.26 -1.40 118.95 127.63 3hab s ARG 184 Ca 0.17 1.61 -0.12 0.00 -2.50 0.00 0.00 55.73 54.89 3hab s ARG 184 Cb -0.15 -3.72 -0.27 0.00 0.06 0.00 0.00 34.95 30.87 3hab s ARG 184 CO 0.09 -0.66 0.46 0.82 -2.50 0.00 0.00 175.30 173.51 3hab h ILE 185 N 5.43 0.82 -3.89 4.11 1.08 -0.98 -3.39 117.51 120.70 3hab h ILE 185 Ca -0.26 -2.37 -0.53 0.00 -0.39 0.00 0.00 64.86 61.31 3hab h ILE 185 Cb 1.10 2.58 -0.21 0.00 -3.07 0.00 0.00 36.82 37.22 3hab h ILE 185 CO 0.96 0.78 -0.81 0.42 -0.69 0.00 0.00 178.15 178.80 3hab s THR 186 N -2.52 1.61 0.00 -0.27 -4.23 -1.19 -4.72 115.64 104.32 3hab s THR 186 Ca -0.21 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3hab s THR 186 Cb 0.06 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.41 3hab s THR 186 CO 0.77 -0.11 0.46 0.79 -0.54 0.00 0.00 174.62 175.99 3hab n TRP 187 N 1.06 0.00 1.12 3.99 7.02 -1.26 -4.40 117.44 124.97 3hab n TRP 187 Ca -0.19 -0.07 0.12 0.00 -1.02 0.00 0.00 57.50 56.34 3hab n TRP 187 Cb 0.54 -0.01 0.18 0.00 -2.42 0.00 0.00 31.31 29.60 3hab n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3hab n THR 188 N -0.07 0.00 -1.63 -0.99 -2.24 -1.26 -4.98 114.28 103.11 3hab n THR 188 Ca 0.00 -0.27 -0.47 0.00 -2.27 0.00 0.00 64.05 61.04 3hab n THR 188 Cb 0.11 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 3hab n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hab n GLY 189 N 1.36 0.50 3.46 3.38 0.00 -1.26 -4.68 105.19 107.95 3hab n GLY 189 Ca 0.12 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 46.64 3hab n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hab s LYS 190 N -0.16 0.47 0.06 1.61 2.20 -0.74 -4.88 119.74 118.29 3hab s LYS 190 Ca 0.73 1.22 -0.37 0.00 -0.36 0.00 0.00 55.97 57.19 3hab s LYS 190 Cb -0.76 0.53 -0.17 0.00 -1.51 0.00 0.00 37.83 35.92 3hab s LYS 190 CO 0.49 -0.22 1.32 -1.91 -0.36 0.00 0.00 175.35 174.67 3hab n GLU 191 N 5.26 0.99 -0.90 4.03 2.13 -1.26 -1.08 120.64 129.81 3hab n GLU 191 Ca -0.12 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3hab n GLU 191 Cb 0.50 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.23 3hab n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hab n ASP 192 N 2.48 -3.53 0.04 4.31 8.00 -1.26 -4.70 116.55 121.89 3hab n ASP 192 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3hab n ASP 192 Cb 0.17 -2.25 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 3hab n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hab n ILE 193 N -2.24 0.26 -3.93 0.53 5.41 -0.40 -4.70 119.36 114.30 3hab n ILE 193 Ca 0.00 0.09 -0.35 0.00 1.00 0.00 0.00 62.75 63.49 3hab n ILE 193 Cb 0.23 -0.72 -0.14 0.00 -0.71 0.00 0.00 39.64 38.30 3hab n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hab s ILE 194 N -1.43 3.24 -0.33 1.39 -1.09 -0.24 -0.35 121.20 122.39 3hab s ILE 194 Ca 0.00 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 57.81 3hab s ILE 194 Cb 0.00 -2.48 0.04 0.00 -1.58 0.00 0.00 42.46 38.45 3hab s ILE 194 CO 0.00 0.42 0.07 -0.31 -1.23 0.00 0.00 174.94 173.89 3hab s TYR 195 N 1.46 3.26 -0.30 3.97 1.51 -0.06 -1.79 117.35 125.40 3hab s TYR 195 Ca 0.05 -1.59 -0.11 0.00 -1.01 0.00 0.00 57.07 54.42 3hab s TYR 195 Cb -0.14 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3hab s TYR 195 CO -0.04 -0.76 0.18 -0.80 -1.11 0.00 0.00 175.55 173.02 3hab s ASN 196 N 1.36 5.84 0.00 2.29 0.01 -0.73 -0.57 114.94 123.14 3hab s ASN 196 Ca -0.03 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 3hab s ASN 196 Cb -0.20 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.38 3hab s ASN 196 CO 0.01 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 3hab n GLY 197 N 5.04 0.86 3.29 0.66 0.00 -0.31 -4.36 105.19 110.38 3hab n GLY 197 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 3hab n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hab s ILE 198 N -3.57 1.46 0.28 -0.61 -4.36 -1.26 -0.36 121.20 112.78 3hab s ILE 198 Ca 0.00 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.32 3hab s ILE 198 Cb 0.00 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 3hab s ILE 198 CO 0.00 -0.60 0.51 0.42 0.24 0.00 0.00 174.94 175.50 3hab s THR 199 N -2.90 5.10 0.75 8.37 -4.23 0.64 -4.68 115.64 118.68 3hab s THR 199 Ca 0.17 -0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 3hab s THR 199 Cb -0.01 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.23 3hab s THR 199 CO 0.04 -0.36 1.02 -0.90 -0.54 0.00 0.00 174.62 173.88 3hab n ASP 200 N -1.13 0.31 -0.15 3.99 5.75 -1.26 -4.75 116.55 119.31 3hab n ASP 200 Ca -0.03 -1.51 -0.05 0.00 -0.01 0.00 0.00 54.79 53.18 3hab n ASP 200 Cb 0.55 -0.75 0.01 0.00 -1.03 0.00 0.00 41.12 39.89 3hab n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hab h TRP 201 N -1.38 -0.73 0.00 2.11 7.01 -2.00 -0.95 115.95 120.00 3hab h TRP 201 Ca -0.33 0.06 -0.23 0.00 2.11 0.00 0.00 58.89 60.50 3hab h TRP 201 Cb 0.97 0.39 0.00 0.00 -2.10 0.00 0.00 29.16 28.42 3hab h TRP 201 CO 0.00 -0.35 -0.95 -0.24 -2.79 0.00 0.00 178.44 174.12 3hab h VAL 202 N -0.17 1.40 -0.22 2.65 3.04 -1.94 -1.54 116.25 119.48 3hab h VAL 202 Ca 0.21 -2.45 -0.12 0.00 -1.01 0.00 0.00 66.70 63.34 3hab h VAL 202 Cb 0.51 2.42 -0.01 0.00 -2.01 0.00 0.00 31.29 32.20 3hab h VAL 202 CO -0.58 0.73 -0.37 1.88 -1.01 0.00 0.00 177.57 178.22 3hab h TYR 203 N 0.23 0.56 0.45 3.17 -1.99 -1.91 0.95 116.97 118.43 3hab h TYR 203 Ca -0.08 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.48 3hab h TYR 203 Cb 1.58 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.19 3hab h TYR 203 CO 0.06 0.79 -0.22 1.49 -0.00 0.00 0.00 178.16 180.28 3hab h GLU 204 N 0.40 -0.59 -0.39 4.88 4.81 -1.01 -0.70 114.58 121.99 3hab h GLU 204 Ca 0.04 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3hab h GLU 204 Cb 0.84 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3hab h GLU 204 CO 0.07 -0.30 0.02 1.49 -0.73 0.00 0.00 179.01 179.56 3hab h GLU 205 N -0.81 0.68 0.00 1.92 4.57 -1.26 -1.73 114.58 117.95 3hab h GLU 205 Ca -0.06 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 3hab h GLU 205 Cb 0.55 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3hab h GLU 205 CO 0.10 0.76 -1.59 0.39 -1.18 0.00 0.00 179.01 177.49 3hab n GLU 206 N -4.48 0.95 -0.01 1.92 -0.58 0.32 -4.54 120.64 114.22 3hab n GLU 206 Ca -0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.63 3hab n GLU 206 Cb 0.27 -1.27 -0.01 0.00 -0.57 0.00 0.00 31.44 29.86 3hab n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hab n VAL 207 N -2.05 1.00 0.63 2.62 0.31 -0.96 -4.83 118.33 115.05 3hab n VAL 207 Ca -0.07 0.27 0.11 0.00 -0.01 0.00 0.00 64.34 64.65 3hab n VAL 207 Cb 0.47 -1.73 0.02 0.00 -0.91 0.00 0.00 33.84 31.68 3hab n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hab n PHE 208 N -3.54 0.20 -4.09 3.52 3.72 -0.31 -4.96 117.46 112.00 3hab n PHE 208 Ca -0.04 0.06 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 3hab n PHE 208 Cb 0.16 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 3hab n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hab n SER 209 N -1.88 -2.19 -3.52 4.37 7.64 -0.66 -4.93 113.62 112.45 3hab n SER 209 Ca 0.02 -0.99 -0.09 0.00 1.01 0.00 0.00 58.87 58.81 3hab n SER 209 Cb 0.42 -2.95 -0.03 0.00 -1.01 0.00 0.00 64.21 60.64 3hab n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hab s ALA 210 N -3.58 -1.84 -0.09 -0.43 0.00 -1.15 -4.97 121.76 109.71 3hab s ALA 210 Ca 0.43 1.13 0.14 0.00 0.00 0.00 0.00 51.96 53.67 3hab s ALA 210 Cb -0.23 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.96 3hab s ALA 210 CO 0.91 -0.60 1.00 -0.92 0.00 0.00 0.00 175.76 176.15 3hab h TYR 211 N 2.15 0.00 -3.58 0.00 3.20 -1.88 -3.38 116.97 113.49 3hab h TYR 211 Ca -0.22 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.13 3hab h TYR 211 Cb 1.22 0.00 0.05 0.00 1.54 0.00 0.00 36.73 39.55 3hab h TYR 211 CO 0.27 0.68 0.68 0.45 -1.64 0.00 0.00 178.16 178.60 3hab s SER 212 N -6.10 6.77 -0.32 -2.11 0.15 -1.26 -0.26 113.70 110.56 3hab s SER 212 Ca -0.01 2.60 0.16 0.00 0.70 0.00 0.00 55.95 59.40 3hab s SER 212 Cb 0.08 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.23 3hab s SER 212 CO 0.80 -0.58 1.05 0.00 1.20 0.00 0.00 173.24 175.71 3hab n ALA 213 N 1.81 3.67 -2.43 5.45 0.00 0.51 -4.61 120.51 124.91 3hab n ALA 213 Ca 0.04 -3.32 -0.31 0.00 0.00 0.00 0.00 53.44 49.85 3hab n ALA 213 Cb 0.42 -0.78 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 3hab n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hab s LEU 214 N -3.44 2.09 -0.26 0.00 1.43 -1.23 -1.98 118.68 115.28 3hab s LEU 214 Ca 0.34 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3hab s LEU 214 Cb 0.40 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 45.36 3hab s LEU 214 CO -0.02 0.30 0.12 0.26 0.23 0.00 0.00 176.35 177.23 3hab s TRP 215 N -0.50 0.42 0.34 0.29 0.51 0.11 -4.99 118.94 115.12 3hab s TRP 215 Ca 0.07 -0.82 -0.29 0.00 -2.12 0.00 0.00 56.10 52.94 3hab s TRP 215 Cb -0.11 -0.92 -0.11 0.00 -0.81 0.00 0.00 33.47 31.52 3hab s TRP 215 CO 0.00 -0.76 1.39 -1.58 -0.51 0.00 0.00 176.95 175.49 3hab s TRP 216 N 2.06 2.88 0.79 -1.98 0.52 -1.26 -0.37 118.94 121.59 3hab s TRP 216 Ca 0.07 1.28 -0.12 0.00 0.02 0.00 0.00 56.10 57.36 3hab s TRP 216 Cb -0.16 -3.82 0.07 0.00 -1.15 0.00 0.00 33.47 28.41 3hab s TRP 216 CO -0.29 -2.35 1.13 -1.54 0.02 0.00 0.00 176.95 173.91 3hab s SER 217 N -0.27 4.08 0.38 2.95 1.04 0.26 -4.90 113.70 117.24 3hab s SER 217 Ca 0.51 2.03 0.15 0.00 0.48 0.00 0.00 55.95 59.12 3hab s SER 217 Cb -0.42 -2.55 1.00 0.00 0.10 0.00 0.00 66.02 64.14 3hab s SER 217 CO 0.55 -2.33 1.80 -0.65 0.98 0.00 0.00 173.24 173.59 3hab h PRO 218 N -1.08 0.49 -0.60 4.02 0.11 -1.91 -0.30 132.00 132.73 3hab h PRO 218 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hab h PRO 218 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hab h PRO 218 CO 0.49 0.32 0.00 0.27 -0.21 0.00 0.00 178.00 178.87 3hab n ASN 219 N -4.64 3.77 0.00 -2.05 0.23 -1.26 -4.36 115.26 106.95 3hab n ASN 219 Ca 0.23 -2.09 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 3hab n ASN 219 Cb 0.74 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 3hab n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hab n GLY 220 N 1.20 0.62 0.11 4.83 0.00 -0.12 -4.68 105.19 107.15 3hab n GLY 220 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 3hab n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hab h THR 221 N 0.00 1.01 -2.97 2.61 2.02 -1.94 -3.45 112.91 110.19 3hab h THR 221 Ca 0.00 -0.54 -0.64 0.00 0.77 0.00 0.00 66.41 66.01 3hab h THR 221 Cb 0.02 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 3hab h THR 221 CO 0.00 0.13 -0.53 -0.36 0.37 0.00 0.00 175.52 175.13 3hab s PHE 222 N -5.14 3.42 -0.22 3.16 0.08 -1.26 -1.08 117.98 116.94 3hab s PHE 222 Ca -0.15 0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.15 3hab s PHE 222 Cb 0.03 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 3hab s PHE 222 CO 0.63 0.58 -0.11 -1.17 -0.10 0.00 0.00 175.22 175.05 3hab s LEU 223 N -2.19 2.67 0.18 -0.37 2.96 -0.36 -0.57 118.68 120.99 3hab s LEU 223 Ca 0.30 -1.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.03 3hab s LEU 223 Cb -0.13 -1.36 -0.07 0.00 0.50 0.00 0.00 46.19 45.13 3hab s LEU 223 CO 0.22 -0.15 0.53 0.00 -1.32 0.00 0.00 176.35 175.63 3hab s ALA 224 N 1.29 3.59 0.05 5.97 0.00 0.50 -1.23 121.76 131.93 3hab s ALA 224 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 3hab s ALA 224 Cb -0.17 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.53 3hab s ALA 224 CO -0.08 0.49 0.39 1.52 0.00 0.00 0.00 175.76 178.09 3hab s TYR 225 N -1.61 -0.23 0.11 0.00 1.13 0.12 0.09 117.35 116.96 3hab s TYR 225 Ca 0.41 0.15 0.02 0.00 -1.41 0.00 0.00 57.07 56.25 3hab s TYR 225 Cb -0.13 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3hab s TYR 225 CO 0.20 -0.56 0.21 0.00 -2.51 0.00 0.00 175.55 172.89 3hab s ALA 226 N -2.56 3.88 -0.11 9.51 0.00 -0.84 -0.71 121.76 130.94 3hab s ALA 226 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3hab s ALA 226 Cb -0.01 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.43 3hab s ALA 226 CO -0.03 0.66 -0.17 -1.14 0.00 0.00 0.00 175.76 175.09 3hab s GLN 227 N -2.86 2.38 -0.12 0.00 0.74 -0.19 -1.16 119.66 118.45 3hab s GLN 227 Ca 0.34 -0.62 -0.04 0.00 0.05 0.00 0.00 55.36 55.09 3hab s GLN 227 Cb -0.12 -1.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.97 3hab s GLN 227 CO 0.27 -0.04 0.00 -0.06 -0.55 0.00 0.00 175.29 174.91 3hab s PHE 228 N 0.92 3.15 -0.29 1.67 0.08 0.27 -1.46 117.98 122.32 3hab s PHE 228 Ca -0.07 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 56.99 3hab s PHE 228 Cb -0.15 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 3hab s PHE 228 CO -0.01 0.27 -0.01 1.21 -0.10 0.00 0.00 175.22 176.58 3hab s ASN 229 N -0.29 4.77 -0.16 1.36 3.84 -0.27 -0.88 114.94 123.31 3hab s ASN 229 Ca 0.06 -1.13 0.16 0.00 0.21 0.00 0.00 52.86 52.16 3hab s ASN 229 Cb -0.12 -1.72 0.60 0.00 -0.55 0.00 0.00 41.25 39.46 3hab s ASN 229 CO 0.02 -0.22 1.51 0.47 -2.79 0.00 0.00 177.10 176.09 3hab n ASP 230 N 4.66 4.35 -0.34 -4.21 9.92 0.53 -1.24 116.55 130.22 3hab n ASP 230 Ca -0.14 -2.76 0.05 0.00 -0.53 0.00 0.00 54.79 51.40 3hab n ASP 230 Cb 0.45 -0.54 0.12 0.00 -0.64 0.00 0.00 41.12 40.51 3hab n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3hab h THR 231 N 2.75 0.05 -0.49 -3.53 2.02 -1.84 -0.68 112.91 111.19 3hab h THR 231 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hab h THR 231 Cb 1.48 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3hab h THR 231 CO 0.26 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.53 3hab n GLU 232 N -5.59 3.17 -2.65 6.66 1.02 -1.26 -4.93 120.64 117.04 3hab n GLU 232 Ca 0.14 -2.56 -0.42 0.00 -0.02 0.00 0.00 57.16 54.30 3hab n GLU 232 Cb 0.47 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 3hab n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hab s VAL 233 N -1.60 4.71 0.71 2.62 1.01 -0.26 -4.67 120.40 122.92 3hab s VAL 233 Ca 0.40 1.95 -0.13 0.00 0.00 0.00 0.00 61.98 64.20 3hab s VAL 233 Cb 0.25 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.40 3hab s VAL 233 CO 0.20 0.11 1.10 -2.84 0.00 0.00 0.00 175.10 173.66 3hab s PRO 234 N 1.34 2.59 -0.17 2.72 0.02 -1.26 -4.71 135.00 135.53 3hab s PRO 234 Ca 0.52 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.73 3hab s PRO 234 Cb -0.22 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 3hab s PRO 234 CO 0.25 -1.39 0.08 -0.51 -0.33 0.00 0.00 177.00 175.10 3hab s LEU 235 N -5.35 3.96 0.28 -5.54 1.02 -1.26 -0.90 118.68 110.89 3hab s LEU 235 Ca 0.64 0.17 -0.29 0.00 0.02 0.00 0.00 54.13 54.67 3hab s LEU 235 Cb -0.18 -2.00 -0.09 0.00 0.02 0.00 0.00 46.19 43.94 3hab s LEU 235 CO 0.48 0.22 1.03 -0.51 0.02 0.00 0.00 176.35 177.59 3hab s ILE 236 N 0.08 3.76 -0.03 -0.59 1.10 -0.14 -4.86 121.20 120.53 3hab s ILE 236 Ca 0.07 1.71 0.05 0.00 -0.51 0.00 0.00 60.65 61.97 3hab s ILE 236 Cb -0.12 -4.07 -0.01 0.00 0.15 0.00 0.00 42.46 38.42 3hab s ILE 236 CO 0.00 0.36 -0.17 -1.61 -2.11 0.00 0.00 174.94 171.42 3hab s GLU 237 N -1.49 1.53 0.10 3.50 2.02 -1.26 -1.54 118.70 121.56 3hab s GLU 237 Ca 0.45 -0.59 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 3hab s GLU 237 Cb -0.28 -1.41 0.04 0.00 0.10 0.00 0.00 34.13 32.58 3hab s GLU 237 CO 0.35 0.30 0.44 1.52 0.02 0.00 0.00 175.26 177.90 3hab s TYR 238 N -0.19 -0.29 0.34 1.61 1.13 -0.70 -4.97 117.35 114.28 3hab s TYR 238 Ca 0.02 0.09 -0.25 0.00 -1.41 0.00 0.00 57.07 55.51 3hab s TYR 238 Cb -0.09 0.30 -0.10 0.00 -1.10 0.00 0.00 41.96 40.97 3hab s TYR 238 CO 0.01 -0.69 0.95 -1.12 -2.51 0.00 0.00 175.55 172.19 3hab s SER 239 N -2.53 7.29 -0.11 -0.18 0.01 -1.26 -0.15 113.70 116.77 3hab s SER 239 Ca -0.00 1.82 0.01 0.00 1.31 0.00 0.00 55.95 59.09 3hab s SER 239 Cb 0.01 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 3hab s SER 239 CO -0.09 -0.11 -0.13 0.12 0.41 0.00 0.00 173.24 173.44 3hab s PHE 240 N -1.68 1.82 -0.05 2.43 5.36 0.17 -4.64 117.98 121.39 3hab s PHE 240 Ca 0.52 -0.86 0.06 0.00 -0.96 0.00 0.00 56.93 55.69 3hab s PHE 240 Cb -0.18 -1.35 -0.24 0.00 -0.34 0.00 0.00 43.02 40.91 3hab s PHE 240 CO 0.23 -0.47 0.65 1.88 -1.46 0.00 0.00 175.22 176.04 3hab h TYR 241 N 7.56 0.16 -0.69 10.12 -1.99 -1.96 -0.06 116.97 130.11 3hab h TYR 241 Ca -0.32 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.30 3hab h TYR 241 Cb 1.16 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3hab h TYR 241 CO 0.48 1.22 0.00 0.45 -0.00 0.00 0.00 178.16 180.31 3hab n SER 242 N -3.20 -2.07 -4.74 3.88 2.88 -1.26 -4.70 113.62 104.40 3hab n SER 242 Ca -0.19 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.03 3hab n SER 242 Cb 1.04 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.60 3hab n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3hab s ASP 243 N -4.00 4.27 0.49 -3.46 1.01 -1.26 -4.89 116.67 108.83 3hab s ASP 243 Ca 0.00 2.04 0.25 0.00 0.71 0.00 0.00 52.55 55.55 3hab s ASP 243 Cb 0.00 -2.55 1.32 0.00 1.01 0.00 0.00 42.92 42.70 3hab s ASP 243 CO 0.00 -2.20 1.89 -0.08 0.21 0.00 0.00 175.17 174.99 3hab h GLU 244 N -0.85 0.16 0.00 8.23 4.81 -2.05 -0.29 114.58 124.58 3hab h GLU 244 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hab h GLU 244 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3hab h GLU 244 CO 0.50 0.10 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 3hab h SER 245 N 0.16 0.00 -3.43 1.04 4.64 -1.93 -3.42 113.55 110.61 3hab h SER 245 Ca 0.43 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.18 3hab h SER 245 Cb 1.43 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.45 3hab h SER 245 CO -0.08 0.00 0.89 -0.22 -0.87 0.00 0.00 176.83 176.55 3hab s LEU 246 N -5.99 3.82 0.10 5.97 2.96 -0.12 -4.92 118.68 120.50 3hab s LEU 246 Ca -0.03 0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 54.59 3hab s LEU 246 Cb 0.11 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.19 3hab s LEU 246 CO 0.43 -1.04 1.47 -0.61 -1.32 0.00 0.00 176.35 175.29 3hab h GLN 247 N 8.63 0.62 -5.43 1.98 4.15 -1.89 -3.42 115.11 119.75 3hab h GLN 247 Ca -0.22 -0.26 -0.66 0.00 0.77 0.00 0.00 58.65 58.28 3hab h GLN 247 Cb 1.06 -0.02 -0.26 0.00 0.21 0.00 0.00 27.48 28.47 3hab h GLN 247 CO 1.07 0.83 -0.76 0.71 -1.93 0.00 0.00 178.83 178.75 3hab s TYR 248 N -4.66 2.80 0.68 3.99 2.02 -1.26 -5.11 117.35 115.82 3hab s TYR 248 Ca -0.13 -0.58 -0.17 0.00 -0.37 0.00 0.00 57.07 55.82 3hab s TYR 248 Cb 0.08 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3hab s TYR 248 CO 0.79 -0.16 1.26 -2.14 -1.57 0.00 0.00 175.55 173.73 3hab s PRO 249 N 0.23 2.37 0.10 -1.71 0.02 -1.26 -5.00 135.00 129.74 3hab s PRO 249 Ca -0.08 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 62.76 3hab s PRO 249 Cb -0.15 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 3hab s PRO 249 CO 0.05 -1.71 0.48 0.21 -0.33 0.00 0.00 177.00 175.70 3hab s LYS 250 N -3.57 3.90 -0.34 5.54 2.20 -0.04 -4.91 119.74 122.53 3hab s LYS 250 Ca 0.80 0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 56.66 3hab s LYS 250 Cb -0.34 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 3hab s LYS 250 CO 0.42 0.54 0.25 0.99 -0.36 0.00 0.00 175.35 177.19 3hab s THR 251 N -1.38 5.28 0.02 3.43 2.01 -1.26 0.42 115.64 124.15 3hab s THR 251 Ca 0.34 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.90 3hab s THR 251 Cb -0.15 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3hab s THR 251 CO 0.18 -0.02 0.75 -0.69 -0.69 0.00 0.00 174.62 174.16 3hab s VAL 252 N 1.75 4.80 -0.14 3.82 1.01 0.79 -4.90 120.40 127.53 3hab s VAL 252 Ca 0.07 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3hab s VAL 252 Cb -0.17 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.13 3hab s VAL 252 CO 0.11 0.34 -0.11 -0.13 0.00 0.00 0.00 175.10 175.31 3hab s ARG 253 N 0.14 1.92 -0.09 2.72 0.52 -1.26 -1.71 118.95 121.18 3hab s ARG 253 Ca 0.39 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3hab s ARG 253 Cb -0.20 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.37 3hab s ARG 253 CO 0.22 -0.27 -0.12 0.08 0.02 0.00 0.00 175.30 175.23 3hab s VAL 254 N 1.58 1.23 -0.00 3.52 1.01 -0.59 -4.97 120.40 122.17 3hab s VAL 254 Ca 0.04 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3hab s VAL 254 Cb -0.13 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 3hab s VAL 254 CO -0.09 0.39 1.79 -2.84 0.00 0.00 0.00 175.10 174.34 3hab s PRO 255 N 1.05 4.16 -0.24 2.72 0.02 -1.26 -0.96 135.00 140.49 3hab s PRO 255 Ca -0.07 2.39 -0.03 0.00 0.02 0.00 0.00 61.00 63.31 3hab s PRO 255 Cb -0.15 -4.03 0.13 0.00 0.02 0.00 0.00 34.50 30.48 3hab s PRO 255 CO -0.01 -0.88 0.41 -0.47 -0.33 0.00 0.00 177.00 175.71 3hab s TYR 256 N 4.10 -0.89 -0.34 6.54 6.14 -0.08 -4.47 117.35 128.35 3hab s TYR 256 Ca 0.80 1.04 -0.25 0.00 0.64 0.00 0.00 57.07 59.30 3hab s TYR 256 Cb -0.38 0.12 0.01 0.00 0.42 0.00 0.00 41.96 42.13 3hab s TYR 256 CO 0.35 -0.69 0.86 -1.25 0.64 0.00 0.00 175.55 175.45 3hab s PRO 257 N 2.59 3.88 0.80 4.97 0.04 -1.26 -4.50 135.00 141.53 3hab s PRO 257 Ca 0.11 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 3hab s PRO 257 Cb -0.15 -3.77 0.08 0.00 0.04 0.00 0.00 34.50 30.70 3hab s PRO 257 CO -0.16 -0.83 1.17 0.15 0.04 0.00 0.00 177.00 177.37 3hab s LYS 258 N 3.22 2.01 0.06 4.56 1.02 -1.26 -0.54 119.74 128.81 3hab s LYS 258 Ca 0.35 0.17 -0.35 0.00 0.02 0.00 0.00 55.97 56.16 3hab s LYS 258 Cb -0.13 -1.95 -0.14 0.00 -0.52 0.00 0.00 37.83 35.09 3hab s LYS 258 CO 0.16 -1.58 1.62 0.00 -0.92 0.00 0.00 175.35 174.63 3hab n ALA 259 N -3.32 0.73 -0.03 5.17 0.00 -0.14 -1.26 120.51 121.66 3hab n ALA 259 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3hab n ALA 259 Cb 0.60 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3hab n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hab n GLY 260 N 3.55 1.70 3.90 0.00 0.00 -1.26 -4.86 105.19 108.22 3hab n GLY 260 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3hab n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hab s ALA 261 N -2.62 2.59 0.14 4.61 0.00 -0.39 -4.99 121.76 121.11 3hab s ALA 261 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 3hab s ALA 261 Cb 0.00 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 3hab s ALA 261 CO 0.00 -1.76 1.65 0.08 0.00 0.00 0.00 175.76 175.72 3hab s VAL 262 N -3.60 2.62 0.33 0.00 1.01 -1.26 -4.90 120.40 114.60 3hab s VAL 262 Ca 0.63 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.96 3hab s VAL 262 Cb -0.10 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3hab s VAL 262 CO 0.49 0.02 0.53 0.20 0.00 0.00 0.00 175.10 176.34 3hab s ASN 263 N 1.66 6.30 0.66 3.32 0.02 -1.26 -4.43 114.94 121.22 3hab s ASN 263 Ca 0.73 0.43 -0.17 0.00 -1.02 0.00 0.00 52.86 52.83 3hab s ASN 263 Cb -0.44 -2.02 -0.00 0.00 0.02 0.00 0.00 41.25 38.81 3hab s ASN 263 CO 0.32 -0.27 1.21 -2.16 0.02 0.00 0.00 177.10 176.23 3hab s PRO 264 N -4.23 2.58 0.29 -0.60 0.04 -1.26 -4.77 135.00 127.05 3hab s PRO 264 Ca 0.40 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.29 3hab s PRO 264 Cb -0.10 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3hab s PRO 264 CO 0.35 -1.51 0.40 0.95 0.04 0.00 0.00 177.00 177.24 3hab s THR 265 N -1.78 4.58 -0.00 1.26 -4.23 -0.37 -4.93 115.64 110.18 3hab s THR 265 Ca 0.76 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3hab s THR 265 Cb -0.30 -3.60 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 3hab s THR 265 CO 0.39 -0.24 -0.01 0.54 -0.54 0.00 0.00 174.62 174.76 3hab s VAL 266 N -2.09 0.12 0.17 2.29 0.11 -1.26 -1.11 120.40 118.62 3hab s VAL 266 Ca 0.40 -0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.43 3hab s VAL 266 Cb -0.09 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 3hab s VAL 266 CO 0.30 0.04 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.47 3hab s LYS 267 N -0.01 1.15 -0.03 1.54 1.02 -0.53 -4.99 119.74 117.89 3hab s LYS 267 Ca 0.00 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 54.50 3hab s LYS 267 Cb -0.01 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 3hab s LYS 267 CO -0.00 0.06 -0.06 0.12 -0.92 0.00 0.00 175.35 174.55 3hab s PHE 268 N -3.29 0.69 0.08 3.18 5.36 -1.26 -1.02 117.98 121.73 3hab s PHE 268 Ca 0.20 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.04 3hab s PHE 268 Cb 0.03 -0.55 -0.03 0.00 -0.34 0.00 0.00 43.02 42.12 3hab s PHE 268 CO 0.03 -0.11 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.52 3hab s PHE 269 N 0.44 0.98 -0.05 10.12 0.40 0.12 -1.39 117.98 128.60 3hab s PHE 269 Ca -0.06 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 3hab s PHE 269 Cb -0.10 -0.55 0.01 0.00 0.51 0.00 0.00 43.02 42.89 3hab s PHE 269 CO 0.00 -0.03 -0.12 0.08 0.70 0.00 0.00 175.22 175.86 3hab s VAL 270 N -2.22 1.06 0.02 -0.44 1.01 0.11 -0.70 120.40 119.24 3hab s VAL 270 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3hab s VAL 270 Cb -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3hab s VAL 270 CO -0.00 0.33 -0.25 0.54 0.00 0.00 0.00 175.10 175.72 3hab s VAL 271 N 0.46 2.03 -0.45 2.92 0.11 -0.37 -0.49 120.40 124.62 3hab s VAL 271 Ca -0.10 -1.24 -0.24 0.00 -2.93 0.00 0.00 61.98 57.47 3hab s VAL 271 Cb -0.13 -1.72 0.03 0.00 -1.53 0.00 0.00 36.38 33.03 3hab s VAL 271 CO 0.02 0.43 0.86 0.21 -3.33 0.00 0.00 175.10 173.29 3hab s ASN 272 N -0.97 6.47 0.00 3.54 3.84 -1.26 -1.23 114.94 125.33 3hab s ASN 272 Ca 0.10 0.04 0.29 0.00 0.21 0.00 0.00 52.86 53.51 3hab s ASN 272 Cb -0.10 -2.42 1.27 0.00 -0.55 0.00 0.00 41.25 39.45 3hab s ASN 272 CO 0.01 -0.97 1.91 0.35 -2.79 0.00 0.00 177.10 175.61 3hab n THR 273 N 6.25 0.00 0.34 -5.21 -2.24 -0.24 -3.01 114.28 110.17 3hab n THR 273 Ca 0.04 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 3hab n THR 273 Cb 0.48 -0.35 0.15 0.00 -2.10 0.00 0.00 70.33 68.52 3hab n THR 273 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hab h ASP 274 N 0.11 0.00 -0.35 3.42 3.32 -1.89 -3.35 116.42 117.68 3hab h ASP 274 Ca 0.00 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.77 3hab h ASP 274 Cb 0.40 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.80 3hab h ASP 274 CO 0.00 0.03 -0.31 -1.54 -1.72 0.00 0.00 179.24 175.70 3hab n SER 275 N -2.58 2.94 -4.78 6.45 3.41 -1.16 -5.03 113.62 112.86 3hab n SER 275 Ca 0.03 -3.83 -0.36 0.00 -0.26 0.00 0.00 58.87 54.45 3hab n SER 275 Cb 0.50 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3hab n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hab s LEU 276 N -3.35 4.00 0.02 1.04 1.43 -1.25 -5.00 118.68 115.58 3hab s LEU 276 Ca 0.45 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.68 3hab s LEU 276 Cb 0.40 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 3hab s LEU 276 CO -0.02 -0.71 -0.16 -0.55 0.23 0.00 0.00 176.35 175.14 3hab s SER 277 N -1.65 1.89 0.37 2.29 0.15 -1.26 -5.03 113.70 110.46 3hab s SER 277 Ca 0.63 -0.41 0.18 0.00 0.70 0.00 0.00 55.95 57.05 3hab s SER 277 Cb -0.22 -0.16 0.68 0.00 -1.71 0.00 0.00 66.02 64.61 3hab s SER 277 CO 0.27 0.11 1.74 0.28 1.20 0.00 0.00 173.24 176.84 3hab h SER 278 N 5.19 0.00 0.35 5.45 0.02 -2.00 -3.34 113.55 119.23 3hab h SER 278 Ca -0.38 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.25 3hab h SER 278 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 3hab h SER 278 CO 0.45 0.39 -1.89 0.52 -1.14 0.00 0.00 176.83 175.16 3hab n VAL 279 N -3.59 1.57 -5.28 2.27 0.31 -1.26 -4.93 118.33 107.43 3hab n VAL 279 Ca -0.00 -0.79 -0.31 0.00 -0.01 0.00 0.00 64.34 63.23 3hab n VAL 279 Cb 0.50 -0.97 -0.16 0.00 -0.91 0.00 0.00 33.84 32.30 3hab n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hab s THR 280 N -2.57 2.01 0.56 2.52 2.01 -1.25 -5.12 115.64 113.80 3hab s THR 280 Ca -0.08 -1.09 -0.21 0.00 0.31 0.00 0.00 61.69 60.62 3hab s THR 280 Cb 0.07 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3hab s THR 280 CO 0.82 0.57 1.32 0.59 -0.69 0.00 0.00 174.62 177.22 3hab n ASN 281 N 2.45 2.44 -4.77 3.53 3.02 -1.26 -4.29 115.26 116.39 3hab n ASN 281 Ca -0.16 0.94 -0.38 0.00 -0.03 0.00 0.00 54.58 54.95 3hab n ASN 281 Cb 0.51 -1.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.12 3hab n ASN 281 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hab s ALA 282 N -1.32 3.10 -0.28 5.41 0.00 -1.26 -4.95 121.76 122.46 3hab s ALA 282 Ca 0.74 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 3hab s ALA 282 Cb -0.41 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 3hab s ALA 282 CO 0.48 -0.74 0.21 0.99 0.00 0.00 0.00 175.76 176.69 3hab s THR 283 N -1.39 5.30 -0.19 0.00 2.01 -1.26 -5.01 115.64 115.09 3hab s THR 283 Ca 0.60 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.69 3hab s THR 283 Cb -0.33 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3hab s THR 283 CO 0.41 0.23 0.13 -0.44 -0.69 0.00 0.00 174.62 174.27 3hab s SER 284 N 1.75 6.24 -0.23 3.53 0.01 -1.26 -4.46 113.70 119.27 3hab s SER 284 Ca 0.08 0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.45 3hab s SER 284 Cb -0.16 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 3hab s SER 284 CO 0.11 0.22 0.38 -0.63 0.41 0.00 0.00 173.24 173.73 3hab s ILE 285 N 0.14 5.19 0.14 1.44 -1.09 0.36 -4.88 121.20 122.50 3hab s ILE 285 Ca 0.09 0.64 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 3hab s ILE 285 Cb -0.11 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 3hab s ILE 285 CO -0.01 0.22 0.95 -1.58 -1.23 0.00 0.00 174.94 173.29 3hab s GLN 286 N 1.58 4.73 -0.35 2.79 0.74 -1.26 -0.72 119.66 127.17 3hab s GLN 286 Ca 0.17 1.45 -0.09 0.00 0.05 0.00 0.00 55.36 56.94 3hab s GLN 286 Cb -0.15 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.64 3hab s GLN 286 CO 0.08 0.29 0.15 0.42 -0.55 0.00 0.00 175.29 175.68 3hab s ILE 287 N -0.27 4.20 0.42 -2.34 1.01 -0.49 -4.90 121.20 118.83 3hab s ILE 287 Ca 0.45 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 3hab s ILE 287 Cb -0.24 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 3hab s ILE 287 CO 0.30 -0.17 0.89 0.42 0.00 0.00 0.00 174.94 176.38 3hab s THR 288 N 1.49 4.53 0.64 2.92 -4.23 -1.26 -4.22 115.64 115.51 3hab s THR 288 Ca 0.01 1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 61.57 3hab s THR 288 Cb -0.19 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3hab s THR 288 CO 0.05 -0.38 1.14 0.00 -0.54 0.00 0.00 174.62 174.88 3hab s ALA 289 N -2.24 2.47 0.78 3.99 0.00 -1.26 -5.00 121.76 120.49 3hab s ALA 289 Ca 0.58 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 53.10 3hab s ALA 289 Cb -0.10 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.73 3hab s ALA 289 CO 0.19 -1.25 1.21 -2.14 0.00 0.00 0.00 175.76 173.77 3hab s PRO 290 N -3.83 1.82 0.41 0.00 0.02 -1.26 -4.70 135.00 127.46 3hab s PRO 290 Ca 0.70 1.76 0.10 0.00 0.02 0.00 0.00 61.00 63.57 3hab s PRO 290 Cb -0.23 -1.80 0.91 0.00 0.02 0.00 0.00 34.50 33.40 3hab s PRO 290 CO 0.38 -2.07 2.00 0.00 -0.33 0.00 0.00 177.00 176.98 3hab h ALA 291 N -0.68 1.84 0.00 -1.55 0.00 -1.98 0.52 119.26 117.41 3hab h ALA 291 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hab h ALA 291 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hab h ALA 291 CO 0.47 0.07 0.00 0.66 0.00 0.00 0.00 179.25 180.45 3hab h SER 292 N 0.54 0.00 0.04 0.00 4.64 -2.03 -2.77 113.55 113.97 3hab h SER 292 Ca 0.24 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.19 3hab h SER 292 Cb 0.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 3hab h SER 292 CO -0.07 0.00 -2.15 0.23 -0.87 0.00 0.00 176.83 173.97 3hab n MET 293 N -2.81 0.65 0.34 4.77 2.00 0.10 -4.48 117.12 117.69 3hab n MET 293 Ca -0.02 0.28 0.22 0.00 0.00 0.00 0.00 57.70 58.18 3hab n MET 293 Cb 0.10 -1.61 1.18 0.00 0.00 0.00 0.00 33.22 32.89 3hab n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hab h LEU 294 N -0.37 0.00 -2.31 4.03 3.38 -1.11 -2.76 115.31 116.16 3hab h LEU 294 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hab h LEU 294 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3hab h LEU 294 CO -0.13 0.00 0.00 0.16 0.09 0.00 0.00 178.44 178.56 3hab h ILE 295 N 0.00 0.00 -1.24 1.22 3.07 -1.72 -3.46 117.51 115.38 3hab h ILE 295 Ca 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.30 3hab h ILE 295 Cb 0.07 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 3hab h ILE 295 CO -0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3hab n GLY 296 N -0.84 2.28 3.77 0.16 0.00 -1.04 -5.14 105.19 104.38 3hab n GLY 296 Ca -0.02 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3hab n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hab s ASP 297 N 0.80 5.96 0.29 1.61 1.01 -1.26 -4.95 116.67 120.12 3hab s ASP 297 Ca 0.00 2.93 -0.21 0.00 0.71 0.00 0.00 52.55 55.98 3hab s ASP 297 Cb 0.00 -2.66 0.02 0.00 1.01 0.00 0.00 42.92 41.30 3hab s ASP 297 CO 0.00 -1.12 0.73 -1.38 0.21 0.00 0.00 175.17 173.61 3hab s HIS 298 N -1.19 -0.16 0.09 4.23 -3.43 -1.26 -1.58 115.29 111.98 3hab s HIS 298 Ca 0.60 -0.31 0.06 0.00 -0.80 0.00 0.00 55.06 54.60 3hab s HIS 298 Cb -0.44 0.72 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 3hab s HIS 298 CO 0.57 -1.26 -0.16 0.71 -2.00 0.00 0.00 174.74 172.60 3hab s TYR 299 N -3.77 1.40 -0.19 0.38 2.02 0.13 -4.85 117.35 112.47 3hab s TYR 299 Ca 0.11 -0.47 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 3hab s TYR 299 Cb -0.06 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.71 3hab s TYR 299 CO 0.07 0.12 0.66 -1.17 -1.57 0.00 0.00 175.55 173.65 3hab s LEU 300 N -1.94 4.16 -0.00 -1.29 2.96 -1.26 -0.57 118.68 120.73 3hab s LEU 300 Ca 0.03 0.89 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3hab s LEU 300 Cb -0.09 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3hab s LEU 300 CO 0.03 -0.28 0.07 0.00 -1.32 0.00 0.00 176.35 174.85 3hab s ASP 302 N -1.60 -0.45 -0.08 0.00 -1.08 -1.11 -4.86 116.67 107.48 3hab s ASP 302 Ca 0.00 0.82 -0.00 0.00 -0.52 0.00 0.00 52.55 52.85 3hab s ASP 302 Cb 0.02 0.85 0.02 0.00 -1.46 0.00 0.00 42.92 42.35 3hab s ASP 302 CO 0.09 -0.21 -0.05 -0.69 0.52 0.00 0.00 175.17 174.83 3hab s VAL 303 N 0.02 0.75 -0.15 1.11 1.01 -1.26 -1.21 120.40 120.67 3hab s VAL 303 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3hab s VAL 303 Cb -0.03 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.61 3hab s VAL 303 CO 0.01 0.31 0.15 -0.89 0.00 0.00 0.00 175.10 174.68 3hab s THR 304 N 1.59 -0.21 0.27 3.92 2.01 -0.35 -5.03 115.64 117.84 3hab s THR 304 Ca 0.01 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3hab s THR 304 Cb -0.13 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.79 3hab s THR 304 CO -0.05 -0.10 1.38 0.26 -0.69 0.00 0.00 174.62 175.41 3hab s TRP 305 N 2.24 3.06 -0.25 4.92 0.52 -1.26 -0.54 118.94 127.63 3hab s TRP 305 Ca 0.04 1.19 -0.13 0.00 0.02 0.00 0.00 56.10 57.22 3hab s TRP 305 Cb -0.14 -3.74 -0.16 0.00 -1.15 0.00 0.00 33.47 28.28 3hab s TRP 305 CO -0.09 -2.27 -0.13 0.00 0.02 0.00 0.00 176.95 174.48 3hab n ALA 306 N 1.82 1.10 -3.20 0.98 0.00 0.13 -4.87 120.51 116.46 3hab n ALA 306 Ca 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 53.44 52.54 3hab n ALA 306 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 3hab n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hab n THR 307 N -4.10 0.00 0.31 0.00 -2.24 -0.78 -4.54 114.28 102.93 3hab n THR 307 Ca -0.46 -0.38 0.18 0.00 -2.27 0.00 0.00 64.05 61.12 3hab n THR 307 Cb 0.86 0.20 1.00 0.00 -2.10 0.00 0.00 70.33 70.29 3hab n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3hab h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.98 -3.21 115.11 110.22 3hab h GLN 308 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hab h GLN 308 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3hab h GLN 308 CO 0.06 0.02 -0.21 0.39 -0.95 0.00 0.00 178.83 178.13 3hab n GLU 309 N -3.48 0.59 -3.82 1.46 1.02 -1.26 -4.87 120.64 110.29 3hab n GLU 309 Ca -0.03 -1.22 -0.23 0.00 -0.02 0.00 0.00 57.16 55.66 3hab n GLU 309 Cb 0.11 -0.75 -0.17 0.00 -0.02 0.00 0.00 31.44 30.61 3hab n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hab s ARG 310 N -0.66 0.76 0.03 3.49 3.52 -1.21 -0.53 118.95 124.36 3hab s ARG 310 Ca 0.06 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3hab s ARG 310 Cb 0.05 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.36 3hab s ARG 310 CO 0.01 -0.28 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.49 3hab s ILE 311 N 1.86 2.42 0.04 4.11 2.07 -0.19 0.19 121.20 131.70 3hab s ILE 311 Ca 0.04 -1.26 0.05 0.00 -1.41 0.00 0.00 60.65 58.07 3hab s ILE 311 Cb -0.12 -1.97 -0.03 0.00 0.13 0.00 0.00 42.46 40.46 3hab s ILE 311 CO -0.05 0.38 -0.11 -0.94 -1.91 0.00 0.00 174.94 172.31 3hab s SER 312 N -1.24 4.35 -0.01 4.50 1.04 0.30 -0.32 113.70 122.31 3hab s SER 312 Ca 0.13 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.29 3hab s SER 312 Cb -0.10 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.13 3hab s SER 312 CO 0.03 0.25 -0.06 -0.76 0.98 0.00 0.00 173.24 173.68 3hab s LEU 313 N -1.64 1.83 -0.08 2.42 1.43 -0.65 -1.22 118.68 120.78 3hab s LEU 313 Ca 0.18 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3hab s LEU 313 Cb -0.11 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 3hab s LEU 313 CO 0.09 0.05 -0.10 -1.10 0.23 0.00 0.00 176.35 175.51 3hab s GLN 314 N 0.13 2.81 0.14 1.70 -0.21 -0.35 -0.48 119.66 123.39 3hab s GLN 314 Ca -0.01 -0.62 0.09 0.00 0.02 0.00 0.00 55.36 54.85 3hab s GLN 314 Cb -0.06 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 3hab s GLN 314 CO -0.00 0.56 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.97 3hab s TRP 315 N -0.54 2.51 -0.04 0.91 0.52 0.29 -0.76 118.94 121.83 3hab s TRP 315 Ca 0.08 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.94 3hab s TRP 315 Cb -0.12 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 3hab s TRP 315 CO 0.02 0.41 -0.07 -1.17 0.02 0.00 0.00 176.95 176.16 3hab s LEU 316 N -2.29 1.59 0.63 2.99 2.96 0.27 -1.33 118.68 123.50 3hab s LEU 316 Ca 0.19 -0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 3hab s LEU 316 Cb -0.10 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 3hab s LEU 316 CO 0.10 0.01 1.11 -0.13 -1.32 0.00 0.00 176.35 176.13 3hab s ARG 317 N 0.53 2.95 0.38 1.98 0.52 -0.82 0.18 118.95 124.67 3hab s ARG 317 Ca -0.08 1.42 0.06 0.00 -0.52 0.00 0.00 55.73 56.61 3hab s ARG 317 Cb -0.12 -1.97 0.79 0.00 0.52 0.00 0.00 34.95 34.18 3hab s ARG 317 CO 0.01 -1.14 2.00 -0.09 0.02 0.00 0.00 175.30 176.10 3hab h ARG 318 N 0.29 0.66 -6.26 3.54 2.43 -1.62 -3.10 114.38 110.32 3hab h ARG 318 Ca -0.47 -0.04 -0.56 0.00 -0.81 0.00 0.00 59.98 58.10 3hab h ARG 318 Cb 1.25 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.56 3hab h ARG 318 CO 0.55 0.43 0.94 0.42 -1.51 0.00 0.00 179.97 180.80 3hab s ILE 319 N -5.60 3.92 -0.11 1.20 -1.09 -1.26 -4.81 121.20 113.45 3hab s ILE 319 Ca -0.09 0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.75 3hab s ILE 319 Cb 0.18 -4.82 0.09 0.00 -1.58 0.00 0.00 42.46 36.34 3hab s ILE 319 CO 0.76 -1.63 1.76 0.00 -1.23 0.00 0.00 174.94 174.60 3hab n GLN 320 N 8.81 1.27 -0.38 2.79 6.02 -1.17 -3.76 117.38 130.96 3hab n GLN 320 Ca 0.03 -0.56 0.08 0.00 -0.01 0.00 0.00 57.00 56.54 3hab n GLN 320 Cb 0.48 -1.22 0.23 0.00 1.02 0.00 0.00 30.24 30.76 3hab n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hab n ASN 321 N 0.83 3.67 -3.63 1.08 0.23 -1.26 -0.92 115.26 115.25 3hab n ASN 321 Ca 0.11 -2.63 -0.15 0.00 -0.53 0.00 0.00 54.58 51.38 3hab n ASN 321 Cb 0.58 -0.44 -0.14 0.00 -2.08 0.00 0.00 39.78 37.70 3hab n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3hab s TYR 322 N -2.13 -0.37 0.14 -2.53 6.14 -1.25 -1.53 117.35 115.83 3hab s TYR 322 Ca 0.37 0.80 0.05 0.00 0.64 0.00 0.00 57.07 58.93 3hab s TYR 322 Cb 0.27 -0.12 -0.04 0.00 0.42 0.00 0.00 41.96 42.48 3hab s TYR 322 CO 0.12 -0.38 -0.12 -1.54 0.64 0.00 0.00 175.55 174.28 3hab s SER 323 N 2.39 1.86 -0.04 4.32 1.04 0.34 -1.94 113.70 121.67 3hab s SER 323 Ca 0.03 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.55 3hab s SER 323 Cb -0.13 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.98 3hab s SER 323 CO -0.09 -0.25 -0.04 -0.69 0.98 0.00 0.00 173.24 173.15 3hab s VAL 324 N -2.78 0.50 -0.18 5.02 1.01 -0.44 -0.87 120.40 122.67 3hab s VAL 324 Ca 0.13 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 3hab s VAL 324 Cb -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3hab s VAL 324 CO 0.02 0.21 0.28 -0.32 0.00 0.00 0.00 175.10 175.30 3hab s MET 325 N 0.86 4.21 -0.02 2.72 1.75 0.32 -0.54 119.30 128.59 3hab s MET 325 Ca -0.11 0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.35 3hab s MET 325 Cb -0.14 -3.47 -0.04 0.00 2.84 0.00 0.00 34.83 34.02 3hab s MET 325 CO 0.00 0.15 0.13 -0.51 -0.65 0.00 0.00 175.02 174.15 3hab s ASP 326 N 0.68 6.06 -0.21 1.11 1.01 0.36 -1.52 116.67 124.16 3hab s ASP 326 Ca 0.15 0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.69 3hab s ASP 326 Cb -0.13 -1.84 0.04 0.00 1.01 0.00 0.00 42.92 42.00 3hab s ASP 326 CO 0.04 0.28 -0.12 -0.63 0.21 0.00 0.00 175.17 174.95 3hab s ILE 327 N -1.24 1.84 -0.07 0.77 1.01 -1.26 -1.63 121.20 120.62 3hab s ILE 327 Ca 0.24 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.78 3hab s ILE 327 Cb -0.12 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3hab s ILE 327 CO 0.15 0.19 -0.18 0.00 0.00 0.00 0.00 174.94 175.10 3hab s ASP 329 N -0.26 3.92 0.07 0.00 1.11 0.54 -1.02 116.67 121.03 3hab s ASP 329 Ca 0.00 -0.27 -0.31 0.00 0.18 0.00 0.00 52.55 52.16 3hab s ASP 329 Cb -0.13 -1.07 -0.07 0.00 1.07 0.00 0.00 42.92 42.73 3hab s ASP 329 CO 0.03 0.28 1.35 -0.47 1.18 0.00 0.00 175.17 177.54 3hab s TYR 330 N -0.36 3.17 -0.46 4.23 5.04 0.31 -1.11 117.35 128.17 3hab s TYR 330 Ca 0.03 0.99 -0.13 0.00 -2.44 0.00 0.00 57.07 55.52 3hab s TYR 330 Cb -0.12 -3.62 0.08 0.00 0.35 0.00 0.00 41.96 38.65 3hab s TYR 330 CO 0.02 -2.15 0.36 0.34 -1.34 0.00 0.00 175.55 172.79 3hab s ASP 331 N 1.33 5.98 0.50 4.32 2.15 0.77 -4.97 116.67 126.74 3hab s ASP 331 Ca 0.63 -1.46 0.21 0.00 0.43 0.00 0.00 52.55 52.36 3hab s ASP 331 Cb -0.33 -2.12 1.31 0.00 -0.30 0.00 0.00 42.92 41.48 3hab s ASP 331 CO 0.29 -0.64 2.08 -0.08 -0.17 0.00 0.00 175.17 176.65 3hab h GLU 332 N 8.65 0.00 0.02 4.34 4.81 -1.95 0.47 114.58 130.91 3hab h GLU 332 Ca -0.27 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.74 3hab h GLU 332 Cb 1.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hab h GLU 332 CO 0.86 0.11 -1.08 0.66 -0.73 0.00 0.00 179.01 178.83 3hab h SER 333 N 0.00 0.05 0.00 1.04 4.64 -1.96 -3.33 113.55 113.99 3hab h SER 333 Ca -0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hab h SER 333 Cb 0.24 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hab h SER 333 CO 0.01 1.05 -1.41 -1.54 -0.87 0.00 0.00 176.83 174.07 3hab n SER 334 N -3.35 0.67 -1.12 4.97 3.41 -1.00 -4.97 113.62 112.22 3hab n SER 334 Ca -0.02 -0.49 -0.15 0.00 -0.26 0.00 0.00 58.87 57.95 3hab n SER 334 Cb 0.96 1.45 -0.06 0.00 -0.26 0.00 0.00 64.21 66.29 3hab n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hab n GLY 335 N 1.41 1.45 3.86 5.00 0.00 0.16 -5.00 105.19 112.08 3hab n GLY 335 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3hab n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hab s ARG 336 N -3.19 3.01 -0.23 1.61 1.81 -1.19 -4.90 118.95 115.88 3hab s ARG 336 Ca 0.00 -1.02 -0.07 0.00 -1.72 0.00 0.00 55.73 52.92 3hab s ARG 336 Cb 0.00 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 3hab s ARG 336 CO 0.00 0.35 0.05 -1.58 -0.68 0.00 0.00 175.30 173.44 3hab s TRP 337 N -2.13 3.08 -0.09 -0.53 0.52 -1.26 -0.17 118.94 118.37 3hab s TRP 337 Ca 0.35 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 56.06 3hab s TRP 337 Cb -0.08 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3hab s TRP 337 CO 0.26 -0.32 -0.16 -0.80 0.02 0.00 0.00 176.95 175.96 3hab s ASN 338 N 1.41 3.84 -0.48 2.95 0.02 -0.27 -4.88 114.94 117.55 3hab s ASN 338 Ca 0.05 -0.31 0.01 0.00 -1.02 0.00 0.00 52.86 51.60 3hab s ASN 338 Cb -0.15 -1.18 0.13 0.00 0.02 0.00 0.00 41.25 40.07 3hab s ASN 338 CO 0.03 0.25 0.24 0.00 0.02 0.00 0.00 177.10 177.63 3hab n LEU 340 N 3.71 4.25 -0.04 0.00 4.77 -1.25 -4.91 117.00 123.53 3hab n LEU 340 Ca 0.04 1.11 0.07 0.00 -0.03 0.00 0.00 56.01 57.19 3hab n LEU 340 Cb 0.37 -1.59 0.44 0.00 -2.33 0.00 0.00 43.42 40.31 3hab n LEU 340 CO 0.31 0.20 1.17 0.58 -1.33 0.00 0.00 177.39 178.32 3hab h VAL 341 N 3.58 1.03 0.00 4.08 2.07 -1.98 -0.98 116.25 124.05 3hab h VAL 341 Ca -0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3hab h VAL 341 Cb 1.21 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hab h VAL 341 CO 0.87 0.10 0.04 0.00 0.02 0.00 0.00 177.57 178.60 3hab h ALA 342 N 1.72 1.04 -0.63 1.67 0.00 -1.96 -1.93 119.26 119.18 3hab h ALA 342 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hab h ALA 342 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hab h ALA 342 CO -0.05 -0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.70 3hab n ARG 343 N -3.01 3.15 -2.76 0.00 1.74 -0.37 -4.43 116.66 110.98 3hab n ARG 343 Ca -0.03 -2.67 -0.40 0.00 -0.77 0.00 0.00 57.85 53.98 3hab n ARG 343 Cb 0.10 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 3hab n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hab s GLN 344 N -1.40 4.79 -0.16 5.56 -0.21 -0.73 -4.04 119.66 123.48 3hab s GLN 344 Ca 0.46 1.46 0.00 0.00 0.02 0.00 0.00 55.36 57.30 3hab s GLN 344 Cb 0.27 -3.31 0.03 0.00 1.00 0.00 0.00 33.01 31.00 3hab s GLN 344 CO 0.27 0.43 -0.13 -1.01 -2.12 0.00 0.00 175.29 172.73 3hab s HIS 345 N -0.83 2.19 -0.04 0.91 3.76 -0.58 -4.93 115.29 115.77 3hab s HIS 345 Ca 0.42 -1.28 -0.18 0.00 -0.15 0.00 0.00 55.06 53.87 3hab s HIS 345 Cb -0.25 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 3hab s HIS 345 CO 0.31 -0.68 0.50 0.42 -0.85 0.00 0.00 174.74 174.44 3hab s ILE 346 N 1.48 5.03 -0.16 0.60 1.01 -1.26 -0.52 121.20 127.37 3hab s ILE 346 Ca 0.04 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.71 3hab s ILE 346 Cb -0.14 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.55 3hab s ILE 346 CO -0.10 0.44 -0.07 -0.70 0.00 0.00 0.00 174.94 174.51 3hab s GLU 347 N -0.20 1.58 0.24 2.79 2.12 -0.05 -5.00 118.70 120.18 3hab s GLU 347 Ca 0.27 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 55.11 3hab s GLU 347 Cb -0.17 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 3hab s GLU 347 CO 0.14 -0.40 0.01 0.00 -0.54 0.00 0.00 175.26 174.47 3hab s MET 348 N 1.60 1.37 -0.03 4.30 0.23 -1.26 -0.50 119.30 125.01 3hab s MET 348 Ca 0.01 -1.70 0.03 0.00 -1.03 0.00 0.00 55.69 53.00 3hab s MET 348 Cb -0.15 -0.60 0.00 0.00 -1.53 0.00 0.00 34.83 32.55 3hab s MET 348 CO -0.08 -0.12 -0.11 0.45 -2.03 0.00 0.00 175.02 173.13 3hab s SER 349 N -3.32 1.40 0.04 -1.18 0.15 -0.58 -4.99 113.70 105.23 3hab s SER 349 Ca 0.30 -0.22 0.23 0.00 0.70 0.00 0.00 55.95 56.96 3hab s SER 349 Cb 0.06 -0.37 0.06 0.00 -1.71 0.00 0.00 66.02 64.06 3hab s SER 349 CO 0.10 0.08 1.04 0.35 1.20 0.00 0.00 173.24 176.01 3hab n THR 350 N 3.25 0.14 0.03 6.45 -2.24 -1.26 -4.48 114.28 116.16 3hab n THR 350 Ca -0.18 -0.20 0.05 0.00 -2.27 0.00 0.00 64.05 61.45 3hab n THR 350 Cb 0.54 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 3hab n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hab n THR 351 N -1.89 0.00 -0.02 4.28 -2.24 -1.26 -5.08 114.28 108.08 3hab n THR 351 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3hab n THR 351 Cb 0.42 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3hab n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hab n GLY 352 N 1.84 3.11 4.01 3.38 0.00 -1.26 -4.83 105.19 111.44 3hab n GLY 352 Ca -0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3hab n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hab s TRP 353 N 0.20 1.80 -0.21 1.61 -2.14 -1.26 -4.54 118.94 114.40 3hab s TRP 353 Ca 0.00 -0.42 -0.12 0.00 2.66 0.00 0.00 56.10 58.22 3hab s TRP 353 Cb 0.00 -2.62 -0.05 0.00 -3.10 0.00 0.00 33.47 27.70 3hab s TRP 353 CO 0.00 -1.28 0.21 0.08 -2.66 0.00 0.00 176.95 173.30 3hab s VAL 354 N -2.84 5.34 0.00 -0.66 1.01 -0.10 -4.74 120.40 118.41 3hab s VAL 354 Ca 0.62 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3hab s VAL 354 Cb -0.07 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3hab s VAL 354 CO 0.41 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3hab n GLY 355 N 3.82 -0.97 0.29 4.51 0.00 -1.26 -3.24 105.19 108.34 3hab n GLY 355 Ca -0.14 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 3hab n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hab h ARG 356 N 0.00 -0.65 0.00 1.61 3.08 -1.94 -3.40 114.38 113.08 3hab h ARG 356 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hab h ARG 356 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hab h ARG 356 CO 0.00 -0.36 -0.23 1.19 -1.07 0.00 0.00 179.97 179.50 3hab n PHE 357 N -5.25 0.00 -3.56 3.04 3.72 -1.26 -4.88 117.46 109.27 3hab n PHE 357 Ca -0.10 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.23 3hab n PHE 357 Cb 0.31 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 3hab n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3hab s ARG 358 N -1.25 0.78 0.41 -1.08 1.70 -1.26 -4.99 118.95 113.26 3hab s ARG 358 Ca 0.00 -0.32 -0.25 0.00 -0.47 0.00 0.00 55.73 54.68 3hab s ARG 358 Cb 0.00 0.34 -0.11 0.00 -0.57 0.00 0.00 34.95 34.62 3hab s ARG 358 CO 0.02 -0.35 1.15 -2.30 -1.08 0.00 0.00 175.30 172.74 3hab n PRO 359 N -0.27 1.66 -1.47 3.89 -0.02 -1.20 -4.28 135.00 133.31 3hab n PRO 359 Ca -0.07 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3hab n PRO 359 Cb 0.61 -2.20 0.08 0.00 -0.02 0.00 0.00 33.50 31.97 3hab n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hab s SER 360 N -0.61 4.71 0.26 2.55 1.04 -1.26 -4.92 113.70 115.48 3hab s SER 360 Ca 0.61 1.52 -0.29 0.00 0.48 0.00 0.00 55.95 58.27 3hab s SER 360 Cb -0.55 -2.30 -0.09 0.00 0.10 0.00 0.00 66.02 63.18 3hab s SER 360 CO 0.58 -1.86 0.99 -1.83 0.98 0.00 0.00 173.24 172.10 3hab s GLU 361 N -5.05 4.75 0.48 4.02 1.03 -1.26 -4.96 118.70 117.71 3hab s GLU 361 Ca 0.60 1.56 -0.16 0.00 0.03 0.00 0.00 54.97 57.01 3hab s GLU 361 Cb -0.15 -3.19 -0.08 0.00 -0.80 0.00 0.00 34.13 29.91 3hab s GLU 361 CO 0.55 0.39 0.93 -1.25 -1.33 0.00 0.00 175.26 174.55 3hab s PRO 362 N -1.37 3.94 -0.29 -4.83 0.04 -1.26 -4.58 135.00 126.65 3hab s PRO 362 Ca 0.43 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.36 3hab s PRO 362 Cb -0.27 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.15 3hab s PRO 362 CO 0.34 -0.19 -0.03 -1.01 0.04 0.00 0.00 177.00 176.15 3hab s HIS 363 N -2.52 3.25 0.31 0.56 3.76 0.98 -4.93 115.29 116.69 3hab s HIS 363 Ca 0.57 -2.47 -0.22 0.00 -0.15 0.00 0.00 55.06 52.78 3hab s HIS 363 Cb -0.10 -2.25 -0.09 0.00 1.11 0.00 0.00 32.58 31.24 3hab s HIS 363 CO 0.29 -0.89 0.86 -0.06 -0.85 0.00 0.00 174.74 174.09 3hab s PHE 364 N 1.10 3.60 1.02 1.40 0.40 -1.26 -0.87 117.98 123.36 3hab s PHE 364 Ca 0.00 1.59 -0.13 0.00 -0.60 0.00 0.00 56.93 57.80 3hab s PHE 364 Cb -0.19 -2.79 0.20 0.00 0.51 0.00 0.00 43.02 40.75 3hab s PHE 364 CO -0.07 0.20 1.09 0.95 0.70 0.00 0.00 175.22 178.08 3hab s THR 365 N -1.69 2.00 0.22 0.64 -4.23 -0.93 -4.88 115.64 106.77 3hab s THR 365 Ca 0.50 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 3hab s THR 365 Cb -0.16 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.37 3hab s THR 365 CO 0.21 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.97 3hab h LEU 366 N -1.96 0.31 0.00 4.79 4.07 -1.92 -0.08 115.31 120.51 3hab h LEU 366 Ca -0.55 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3hab h LEU 366 Cb 1.33 0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.12 3hab h LEU 366 CO 0.58 0.16 0.00 -0.90 -1.08 0.00 0.00 178.44 177.20 3hab n ASP 367 N -4.96 0.00 -1.37 -0.43 5.68 -1.26 -4.92 116.55 109.29 3hab n ASP 367 Ca 0.11 0.25 -0.18 0.00 -0.50 0.00 0.00 54.79 54.48 3hab n ASP 367 Cb 0.31 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 39.80 3hab n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hab n GLY 368 N 1.40 1.67 0.01 6.12 0.00 -0.05 -4.87 105.19 109.47 3hab n GLY 368 Ca 0.10 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3hab n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hab n ASN 369 N -0.85 0.52 -3.88 1.61 3.02 -1.26 -4.91 115.26 109.51 3hab n ASN 369 Ca -0.18 -0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.08 3hab n ASN 369 Cb 0.58 0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 3hab n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hab s SER 370 N -3.17 -0.09 0.14 6.41 1.04 -1.26 -1.87 113.70 114.91 3hab s SER 370 Ca 0.10 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.62 3hab s SER 370 Cb 0.17 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.84 3hab s SER 370 CO 0.70 -0.98 0.48 0.72 0.98 0.00 0.00 173.24 175.14 3hab s PHE 371 N -3.94 -0.32 -0.04 5.02 -0.12 -0.11 -2.18 117.98 116.29 3hab s PHE 371 Ca 0.15 0.04 0.05 0.00 -0.05 0.00 0.00 56.93 57.11 3hab s PHE 371 Cb 0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 3hab s PHE 371 CO -0.00 -0.77 -0.17 0.71 -0.05 0.00 0.00 175.22 174.94 3hab s TYR 372 N -3.79 2.61 -0.17 3.49 1.51 -0.05 -0.41 117.35 120.53 3hab s TYR 372 Ca 0.03 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 55.73 3hab s TYR 372 Cb 0.01 -1.59 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 3hab s TYR 372 CO -0.12 0.15 0.45 0.21 -1.11 0.00 0.00 175.55 175.12 3hab s LYS 373 N -0.77 0.48 -0.11 -0.62 2.20 -0.32 -0.01 119.74 120.58 3hab s LYS 373 Ca 0.11 0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 56.16 3hab s LYS 373 Cb -0.10 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 3hab s LYS 373 CO 0.01 -0.11 0.96 0.42 -0.36 0.00 0.00 175.35 176.27 3hab s ILE 374 N 0.78 4.81 0.05 5.43 1.01 -1.26 -0.30 121.20 131.73 3hab s ILE 374 Ca -0.04 1.95 -0.05 0.00 0.00 0.00 0.00 60.65 62.51 3hab s ILE 374 Cb -0.05 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3hab s ILE 374 CO -0.06 0.02 0.07 0.27 0.00 0.00 0.00 174.94 175.25 3hab s ILE 375 N 1.96 0.17 0.03 2.92 -4.36 -0.46 -4.55 121.20 116.92 3hab s ILE 375 Ca 0.46 -1.36 -0.30 0.00 -0.26 0.00 0.00 60.65 59.18 3hab s ILE 375 Cb -0.18 -1.21 -0.06 0.00 1.25 0.00 0.00 42.46 42.26 3hab s ILE 375 CO 0.17 -0.75 1.43 -0.44 0.24 0.00 0.00 174.94 175.59 3hab s SER 376 N -2.58 6.82 1.04 4.36 0.01 -1.26 -1.53 113.70 120.56 3hab s SER 376 Ca 0.01 2.20 -0.16 0.00 1.31 0.00 0.00 55.95 59.31 3hab s SER 376 Cb 0.03 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.92 3hab s SER 376 CO -0.08 -0.72 1.22 -0.46 0.41 0.00 0.00 173.24 173.61 3hab n ASN 377 N 5.09 -0.26 0.31 2.44 0.23 0.40 -4.85 115.26 118.61 3hab n ASN 377 Ca 0.13 -1.40 0.21 0.00 -0.53 0.00 0.00 54.58 52.99 3hab n ASN 377 Cb 0.43 -0.96 1.06 0.00 -2.08 0.00 0.00 39.78 38.23 3hab n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hab h GLU 378 N 0.00 0.00 -0.01 -3.83 4.39 -1.96 0.16 114.58 113.33 3hab h GLU 378 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3hab h GLU 378 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hab h GLU 378 CO 0.28 0.00 -0.17 0.39 -1.16 0.00 0.00 179.01 178.35 3hab n GLU 379 N -2.98 1.25 -0.88 2.33 -0.58 -1.26 -4.94 120.64 113.58 3hab n GLU 379 Ca -0.02 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 3hab n GLU 379 Cb 0.11 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3hab n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hab n GLY 380 N 1.29 0.49 3.81 0.62 0.00 0.05 -4.73 105.19 106.71 3hab n GLY 380 Ca 0.14 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3hab n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hab s TYR 381 N -2.00 3.47 -0.26 1.61 1.51 -1.26 0.60 117.35 121.02 3hab s TYR 381 Ca 0.00 0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 56.18 3hab s TYR 381 Cb 0.00 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 3hab s TYR 381 CO 0.00 0.60 1.05 1.03 -1.11 0.00 0.00 175.55 177.12 3hab s ARG 382 N -0.74 4.19 0.16 -0.62 0.52 -1.26 -0.45 118.95 120.75 3hab s ARG 382 Ca 0.13 1.26 -0.00 0.00 -0.52 0.00 0.00 55.73 56.59 3hab s ARG 382 Cb -0.12 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 3hab s ARG 382 CO 0.03 -0.73 0.06 -1.01 0.02 0.00 0.00 175.30 173.67 3hab s HIS 383 N 3.36 1.06 -0.14 -0.53 3.76 -0.58 -1.24 115.29 120.98 3hab s HIS 383 Ca 0.44 -1.20 -0.24 0.00 -0.15 0.00 0.00 55.06 53.91 3hab s HIS 383 Cb -0.14 -0.59 -0.02 0.00 1.11 0.00 0.00 32.58 32.94 3hab s HIS 383 CO 0.09 -0.44 0.78 0.42 -0.85 0.00 0.00 174.74 174.74 3hab s ILE 384 N -3.94 4.94 -0.02 0.60 1.01 -1.26 -1.35 121.20 121.17 3hab s ILE 384 Ca 0.28 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.49 3hab s ILE 384 Cb 0.07 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3hab s ILE 384 CO 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 174.94 175.05 3hab s TYR 386 N -0.98 3.10 -0.01 0.00 5.04 0.19 -1.18 117.35 123.50 3hab s TYR 386 Ca 0.16 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.40 3hab s TYR 386 Cb -0.11 -2.25 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 3hab s TYR 386 CO 0.07 -0.36 -0.04 -0.06 -1.34 0.00 0.00 175.55 173.82 3hab s PHE 387 N 1.62 2.97 0.05 4.97 0.08 0.45 -1.21 117.98 126.91 3hab s PHE 387 Ca 0.06 0.02 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 3hab s PHE 387 Cb -0.15 -1.65 -0.06 0.00 -0.57 0.00 0.00 43.02 40.59 3hab s PHE 387 CO 0.04 0.40 0.44 -0.65 -0.10 0.00 0.00 175.22 175.35 3hab s GLN 388 N -1.35 3.90 0.50 0.44 -1.52 -1.26 -0.94 119.66 119.43 3hab s GLN 388 Ca 0.17 0.38 0.21 0.00 -1.95 0.00 0.00 55.36 54.17 3hab s GLN 388 Cb -0.11 -3.11 1.31 0.00 -0.22 0.00 0.00 33.01 30.87 3hab s GLN 388 CO 0.07 0.62 2.09 -0.84 -0.25 0.00 0.00 175.29 176.98 3hab h ILE 389 N 3.30 0.87 -0.20 1.08 3.07 -1.72 -2.46 117.51 121.44 3hab h ILE 389 Ca -0.50 -0.38 -0.12 0.00 1.55 0.00 0.00 64.86 65.41 3hab h ILE 389 Cb 1.21 1.21 -0.08 0.00 -0.27 0.00 0.00 36.82 38.90 3hab h ILE 389 CO 0.64 0.10 -0.34 -0.90 -1.05 0.00 0.00 178.15 176.59 3hab n ASP 390 N -4.12 2.30 -4.13 2.16 5.68 -1.26 -4.23 116.55 112.95 3hab n ASP 390 Ca -0.03 -3.86 -0.24 0.00 -0.50 0.00 0.00 54.79 50.17 3hab n ASP 390 Cb 0.18 -0.57 -0.15 0.00 -1.14 0.00 0.00 41.12 39.45 3hab n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hab s LYS 391 N -3.28 1.35 0.07 0.11 1.02 -0.93 -4.90 119.74 113.18 3hab s LYS 391 Ca 0.42 -0.56 -0.16 0.00 0.02 0.00 0.00 55.97 55.69 3hab s LYS 391 Cb 0.39 -1.27 -0.15 0.00 -0.52 0.00 0.00 37.83 36.28 3hab s LYS 391 CO -0.04 0.31 1.30 -0.22 -0.92 0.00 0.00 175.35 175.79 3hab h LYS 392 N 5.87 0.64 -6.24 1.68 3.64 -1.90 -3.41 116.57 116.86 3hab h LYS 392 Ca -0.35 -0.46 -0.55 0.00 -1.27 0.00 0.00 60.65 58.02 3hab h LYS 392 Cb 1.16 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 3hab h LYS 392 CO 0.48 1.08 0.14 -0.51 -2.27 0.00 0.00 179.45 178.38 3hab s ASP 393 N -6.73 7.16 0.28 4.20 1.01 -1.26 -5.00 116.67 116.33 3hab s ASP 393 Ca -0.12 1.39 0.06 0.00 0.71 0.00 0.00 52.55 54.59 3hab s ASP 393 Cb 0.07 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 3hab s ASP 393 CO 0.84 -0.02 0.38 0.00 0.21 0.00 0.00 175.17 176.59 3hab s THR 395 N -2.09 3.24 -0.03 0.00 2.01 -0.35 -4.88 115.64 113.55 3hab s THR 395 Ca 0.39 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3hab s THR 395 Cb -0.09 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3hab s THR 395 CO 0.29 0.48 1.29 -0.36 -0.69 0.00 0.00 174.62 175.63 3hab s PHE 396 N 0.85 3.04 -0.36 4.92 0.08 -1.26 0.54 117.98 125.78 3hab s PHE 396 Ca -0.03 1.04 0.22 0.00 0.12 0.00 0.00 56.93 58.28 3hab s PHE 396 Cb -0.15 -3.53 -0.21 0.00 -0.57 0.00 0.00 43.02 38.57 3hab s PHE 396 CO 0.01 -1.81 0.73 0.44 -0.10 0.00 0.00 175.22 174.49 3hab n ILE 397 N 4.65 0.10 -4.40 0.64 -5.35 0.32 -4.93 119.36 110.38 3hab n ILE 397 Ca 0.12 -0.36 -0.21 0.00 -0.27 0.00 0.00 62.75 62.03 3hab n ILE 397 Cb 0.45 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.45 3hab n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hab s THR 398 N -3.34 2.03 0.01 7.28 -4.23 -1.23 -4.92 115.64 111.25 3hab s THR 398 Ca -0.02 -2.28 -0.28 0.00 -1.18 0.00 0.00 61.69 57.93 3hab s THR 398 Cb 0.14 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.89 3hab s THR 398 CO 0.87 -0.49 0.80 -1.59 -0.54 0.00 0.00 174.62 173.66 3hab s LYS 399 N -3.60 0.95 0.00 3.99 -2.85 -1.26 -4.55 119.74 112.42 3hab s LYS 399 Ca 0.26 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 3hab s LYS 399 Cb -0.02 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 3hab s LYS 399 CO 0.11 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.58 3hab n GLY 400 N -0.01 2.15 2.78 0.59 0.00 -1.26 -4.94 105.19 104.50 3hab n GLY 400 Ca -0.13 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 3hab n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hab n THR 401 N -1.80 4.32 -3.77 2.61 -2.24 -1.26 -4.75 114.28 107.39 3hab n THR 401 Ca 0.00 -4.12 -0.02 0.00 -2.27 0.00 0.00 64.05 57.64 3hab n THR 401 Cb 0.00 -2.37 -0.00 0.00 -2.10 0.00 0.00 70.33 65.86 3hab n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3hab s TRP 402 N 0.67 -0.05 0.06 4.78 1.48 -1.26 -5.03 118.94 119.58 3hab s TRP 402 Ca 0.43 -0.24 0.05 0.00 -1.06 0.00 0.00 56.10 55.29 3hab s TRP 402 Cb 0.12 0.64 -0.03 0.00 -1.16 0.00 0.00 33.47 33.04 3hab s TRP 402 CO -0.02 -0.72 -0.14 -1.21 -4.06 0.00 0.00 176.95 170.79 3hab s GLU 403 N -2.76 0.86 -0.01 3.25 2.02 -1.26 -4.51 118.70 116.29 3hab s GLU 403 Ca 0.16 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 3hab s GLU 403 Cb -0.00 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.33 3hab s GLU 403 CO 0.02 0.20 1.03 0.08 0.02 0.00 0.00 175.26 176.61 3hab s VAL 404 N -1.08 4.69 -0.10 2.63 1.01 -0.37 -2.41 120.40 124.76 3hab s VAL 404 Ca -0.01 1.93 -0.14 0.00 0.00 0.00 0.00 61.98 63.76 3hab s VAL 404 Cb -0.09 -4.24 -0.28 0.00 0.00 0.00 0.00 36.38 31.78 3hab s VAL 404 CO 0.02 0.12 0.55 0.40 0.00 0.00 0.00 175.10 176.19 3hab h ILE 405 N 4.80 0.98 -1.89 2.22 1.08 -0.93 -3.45 117.51 120.32 3hab h ILE 405 Ca -0.39 -2.41 0.02 0.00 -0.39 0.00 0.00 64.86 61.69 3hab h ILE 405 Cb 1.21 2.69 -0.20 0.00 -3.07 0.00 0.00 36.82 37.45 3hab h ILE 405 CO 0.78 0.74 0.38 -0.83 -0.69 0.00 0.00 178.15 178.53 3hab s GLY 406 N -5.04 -0.43 -0.12 5.37 0.00 -1.18 -5.00 107.32 100.92 3hab s GLY 406 Ca -0.20 1.56 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 3hab s GLY 406 CO 0.78 0.88 0.63 -0.42 0.00 0.00 0.00 173.10 174.97 3hab s ILE 407 N -1.50 5.07 -0.12 0.90 1.01 -1.26 -1.11 121.20 124.19 3hab s ILE 407 Ca -0.04 1.26 0.04 0.00 0.00 0.00 0.00 60.65 61.90 3hab s ILE 407 Cb -0.00 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 3hab s ILE 407 CO 0.03 0.22 -0.07 -0.62 0.00 0.00 0.00 174.94 174.50 3hab n GLU 408 N 4.15 0.96 -3.60 2.79 -0.58 0.11 -4.98 120.64 119.49 3hab n GLU 408 Ca -0.02 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.63 3hab n GLU 408 Cb 0.51 -1.26 -0.05 0.00 -0.57 0.00 0.00 31.44 30.06 3hab n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hab s ALA 409 N -2.26 -1.24 -0.04 0.62 0.00 -1.01 -4.84 121.76 112.99 3hab s ALA 409 Ca -0.14 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 3hab s ALA 409 Cb 0.04 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.57 3hab s ALA 409 CO 0.34 -0.50 -0.01 -1.17 0.00 0.00 0.00 175.76 174.43 3hab s LEU 410 N -2.00 0.98 0.47 0.00 2.96 -1.26 0.23 118.68 120.05 3hab s LEU 410 Ca -0.05 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3hab s LEU 410 Cb -0.01 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 3hab s LEU 410 CO -0.02 -0.12 0.03 0.42 -1.32 0.00 0.00 176.35 175.33 3hab s THR 411 N 1.33 1.20 0.34 3.68 -4.23 0.46 -4.98 115.64 113.43 3hab s THR 411 Ca -0.05 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.81 3hab s THR 411 Cb -0.13 -2.34 0.39 0.00 1.34 0.00 0.00 72.50 71.75 3hab s THR 411 CO -0.02 0.00 2.12 0.77 -0.54 0.00 0.00 174.62 176.94 3hab h SER 412 N 1.52 0.00 0.00 3.99 4.64 -2.01 -3.26 113.55 118.42 3hab h SER 412 Ca -0.42 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.55 3hab h SER 412 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3hab h SER 412 CO 0.72 0.03 -2.31 0.47 -0.87 0.00 0.00 176.83 174.88 3hab n ASP 413 N -3.20 0.93 -4.03 4.97 8.00 -1.26 -4.84 116.55 117.12 3hab n ASP 413 Ca -0.01 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 3hab n ASP 413 Cb 0.23 0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 41.76 3hab n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hab s TYR 414 N -2.46 0.58 -0.09 1.24 1.51 -1.23 -1.32 117.35 115.57 3hab s TYR 414 Ca -0.16 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 3hab s TYR 414 Cb 0.06 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 3hab s TYR 414 CO 0.70 -0.09 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.74 3hab s LEU 415 N -1.35 2.68 -0.17 -1.29 0.20 -0.97 -0.40 118.68 117.38 3hab s LEU 415 Ca -0.09 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.39 3hab s LEU 415 Cb -0.09 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 3hab s LEU 415 CO 0.00 0.24 0.01 -0.31 -0.29 0.00 0.00 176.35 176.00 3hab s TYR 416 N -0.13 3.11 0.05 5.38 1.51 0.14 -1.09 117.35 126.31 3hab s TYR 416 Ca -0.01 -0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3hab s TYR 416 Cb -0.14 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3hab s TYR 416 CO 0.03 -0.00 0.07 1.52 -1.11 0.00 0.00 175.55 176.06 3hab s TYR 417 N 0.49 0.30 -0.10 2.71 -0.85 -0.51 0.04 117.35 119.43 3hab s TYR 417 Ca -0.01 -0.71 -0.10 0.00 -0.52 0.00 0.00 57.07 55.73 3hab s TYR 417 Cb -0.14 -0.21 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 3hab s TYR 417 CO 0.02 -0.40 0.22 0.42 -1.52 0.00 0.00 175.55 174.29 3hab s ILE 418 N -3.26 5.37 0.20 -3.49 -1.09 -0.27 -0.64 121.20 118.03 3hab s ILE 418 Ca 0.01 0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 58.73 3hab s ILE 418 Cb 0.03 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 3hab s ILE 418 CO -0.08 0.57 0.32 -0.94 -1.23 0.00 0.00 174.94 173.58 3hab s SER 419 N -0.75 0.02 -0.34 3.58 1.04 -0.38 -0.22 113.70 116.65 3hab s SER 419 Ca 0.16 -1.02 0.08 0.00 0.48 0.00 0.00 55.95 55.65 3hab s SER 419 Cb -0.13 0.48 0.61 0.00 0.10 0.00 0.00 66.02 67.08 3hab s SER 419 CO 0.06 -0.97 1.68 -0.46 0.98 0.00 0.00 173.24 174.52 3hab n ASN 420 N -0.29 3.47 -0.27 7.02 0.23 -1.01 -1.35 115.26 123.04 3hab n ASN 420 Ca -0.03 -3.56 -0.05 0.00 -0.53 0.00 0.00 54.58 50.42 3hab n ASN 420 Cb 0.63 -0.72 0.06 0.00 -2.08 0.00 0.00 39.78 37.68 3hab n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hab h GLU 421 N 1.37 1.00 -6.53 -3.83 4.81 -1.85 -3.31 114.58 106.24 3hab h GLU 421 Ca 0.36 -0.07 -0.55 0.00 -0.13 0.00 0.00 59.36 58.96 3hab h GLU 421 Cb 2.19 -0.22 0.05 0.00 0.63 0.00 0.00 28.75 31.40 3hab h GLU 421 CO 0.69 0.68 0.97 0.98 -0.73 0.00 0.00 179.01 181.59 3hab n TYR 422 N -4.54 2.52 -1.54 0.92 9.36 -1.26 -1.03 117.16 121.59 3hab n TYR 422 Ca 0.07 0.07 -0.16 0.00 3.32 0.00 0.00 57.90 61.21 3hab n TYR 422 Cb 0.03 -2.64 -0.06 0.00 -0.63 0.00 0.00 39.34 36.03 3hab n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hab n LYS 423 N 4.39 -1.40 -2.96 2.98 5.02 -1.26 -2.11 118.16 122.81 3hab n LYS 423 Ca 0.17 0.91 -0.21 0.00 -2.02 0.00 0.00 58.31 57.17 3hab n LYS 423 Cb 0.33 -5.23 0.01 0.00 -0.02 0.00 0.00 35.03 30.12 3hab n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hab n GLY 424 N -0.34 -0.51 3.37 0.72 0.00 -0.19 -4.95 105.19 103.29 3hab n GLY 424 Ca -0.16 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3hab n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hab s MET 425 N -5.62 2.86 0.57 1.61 -1.94 -0.90 -4.95 119.30 110.93 3hab s MET 425 Ca 0.25 -1.25 0.33 0.00 -1.71 0.00 0.00 55.69 53.30 3hab s MET 425 Cb -0.12 -3.94 1.75 0.00 2.01 0.00 0.00 34.83 34.53 3hab s MET 425 CO 0.31 -0.89 2.17 -1.35 -0.01 0.00 0.00 175.02 175.25 3hab h PRO 426 N 8.58 0.00 -0.65 2.03 0.11 -1.90 -2.32 132.00 137.86 3hab h PRO 426 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hab h PRO 426 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hab h PRO 426 CO 0.78 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 3hab n GLY 427 N -0.84 2.65 3.74 -0.55 0.00 -1.26 -4.88 105.19 104.06 3hab n GLY 427 Ca -0.02 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 3hab n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hab s GLY 428 N -0.86 1.54 -0.05 -0.02 0.00 -0.87 -2.01 107.32 105.06 3hab s GLY 428 Ca 0.50 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 3hab s GLY 428 CO 0.23 -1.54 0.10 0.50 0.00 0.00 0.00 173.10 172.39 3hab s ARG 429 N -3.67 0.03 0.07 2.90 1.81 0.22 -4.19 118.95 116.11 3hab s ARG 429 Ca 0.32 0.31 0.02 0.00 -1.72 0.00 0.00 55.73 54.66 3hab s ARG 429 Cb -0.08 -0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 3hab s ARG 429 CO 0.22 -0.19 -0.07 -0.80 -0.68 0.00 0.00 175.30 173.79 3hab s ASN 430 N 1.27 0.99 -0.09 0.23 0.01 -0.46 -1.01 114.94 115.89 3hab s ASN 430 Ca -0.08 -0.77 -0.21 0.00 -0.71 0.00 0.00 52.86 51.09 3hab s ASN 430 Cb -0.12 0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 3hab s ASN 430 CO -0.05 -0.33 0.61 -0.22 -1.51 0.00 0.00 177.10 175.61 3hab s LEU 431 N -2.28 4.30 0.19 0.60 2.96 -1.26 -1.25 118.68 121.94 3hab s LEU 431 Ca 0.01 1.04 0.08 0.00 -0.22 0.00 0.00 54.13 55.04 3hab s LEU 431 Cb -0.03 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3hab s LEU 431 CO -0.02 -0.07 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.47 3hab s TYR 432 N 0.72 1.79 0.04 5.38 1.51 0.19 0.26 117.35 127.23 3hab s TYR 432 Ca 0.33 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3hab s TYR 432 Cb -0.17 -0.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.81 3hab s TYR 432 CO 0.15 0.37 -0.17 -1.59 -1.11 0.00 0.00 175.55 173.20 3hab s LYS 433 N -3.28 1.17 -0.09 -0.62 -2.85 -0.25 -1.42 119.74 112.40 3hab s LYS 433 Ca 0.20 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 54.39 3hab s LYS 433 Cb -0.03 -1.23 -0.00 0.00 -2.06 0.00 0.00 37.83 34.51 3hab s LYS 433 CO 0.07 0.31 -0.24 -1.50 0.10 0.00 0.00 175.35 174.10 3hab s ILE 434 N -0.78 2.02 -0.23 3.79 2.07 -0.25 -1.14 121.20 126.68 3hab s ILE 434 Ca 0.05 -1.00 -0.29 0.00 -1.41 0.00 0.00 60.65 57.99 3hab s ILE 434 Cb -0.08 -1.74 -0.01 0.00 0.13 0.00 0.00 42.46 40.75 3hab s ILE 434 CO 0.01 0.55 1.40 -1.58 -1.91 0.00 0.00 174.94 173.42 3hab s GLN 435 N 0.29 3.97 0.53 3.50 0.74 -0.63 -2.29 119.66 125.76 3hab s GLN 435 Ca -0.17 1.52 0.29 0.00 0.05 0.00 0.00 55.36 57.05 3hab s GLN 435 Cb -0.17 -3.90 1.47 0.00 1.10 0.00 0.00 33.01 31.51 3hab s GLN 435 CO 0.08 -1.06 2.07 -0.07 -0.55 0.00 0.00 175.29 175.76 3hab h LEU 436 N 10.80 0.00 0.00 3.68 3.38 -1.53 -1.85 115.31 129.79 3hab h LEU 436 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hab h LEU 436 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3hab h LEU 436 CO 1.00 0.11 -0.36 -1.54 0.09 0.00 0.00 178.44 177.75 3hab n SER 437 N -3.52 0.45 -3.25 -0.43 3.41 -1.26 -4.67 113.62 104.35 3hab n SER 437 Ca -0.01 0.11 -0.04 0.00 -0.26 0.00 0.00 58.87 58.67 3hab n SER 437 Cb 0.25 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3hab n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hab s ASP 438 N -3.46 -0.70 0.31 4.04 -1.08 -0.70 -5.02 116.67 110.06 3hab s ASP 438 Ca 0.11 -0.82 0.22 0.00 -0.52 0.00 0.00 52.55 51.54 3hab s ASP 438 Cb 0.16 1.55 1.13 0.00 -1.46 0.00 0.00 42.92 44.30 3hab s ASP 438 CO 0.65 -0.23 1.67 -1.22 0.52 0.00 0.00 175.17 176.57 3hab n TYR 439 N 4.59 0.75 0.60 -5.34 4.01 -1.19 -1.09 117.16 119.50 3hab n TYR 439 Ca 0.09 0.37 0.12 0.00 -0.16 0.00 0.00 57.90 58.32 3hab n TYR 439 Cb 0.53 -1.09 0.46 0.00 -0.31 0.00 0.00 39.34 38.92 3hab n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hab n THR 440 N -2.26 0.63 -3.18 -0.72 -2.24 -1.26 -4.47 114.28 100.78 3hab n THR 440 Ca -0.01 0.02 -0.46 0.00 -2.27 0.00 0.00 64.05 61.33 3hab n THR 440 Cb 0.08 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.47 3hab n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hab s LYS 441 N -3.13 3.67 -0.15 -0.78 1.02 -0.25 -5.01 119.74 115.10 3hab s LYS 441 Ca 0.09 -2.29 0.00 0.00 0.02 0.00 0.00 55.97 53.78 3hab s LYS 441 Cb 0.12 -4.63 -0.00 0.00 -0.52 0.00 0.00 37.83 32.80 3hab s LYS 441 CO 0.47 -1.47 -0.15 0.08 -0.92 0.00 0.00 175.35 173.36 3hab s VAL 442 N 0.95 2.72 -0.15 3.17 1.01 -1.26 -1.61 120.40 125.24 3hab s VAL 442 Ca 0.25 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3hab s VAL 442 Cb -0.08 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 3hab s VAL 442 CO -0.09 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.49 3hab s THR 443 N 0.72 2.70 -0.14 3.92 2.01 -0.29 -4.98 115.64 119.59 3hab s THR 443 Ca -0.07 -0.77 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 3hab s THR 443 Cb -0.16 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 3hab s THR 443 CO 0.01 0.52 0.96 0.00 -0.69 0.00 0.00 174.62 175.43 3hab n LEU 445 N 5.21 0.69 0.00 0.00 4.77 0.14 -4.52 117.00 123.30 3hab n LEU 445 Ca 0.08 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3hab n LEU 445 Cb 0.48 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3hab n LEU 445 CO 0.51 0.14 -0.30 -1.54 -1.33 0.00 0.00 177.39 174.87 3hab n SER 446 N -1.73 2.98 -0.22 -1.43 3.41 -1.18 -4.82 113.62 110.63 3hab n SER 446 Ca 0.03 -0.11 0.01 0.00 -0.26 0.00 0.00 58.87 58.54 3hab n SER 446 Cb 0.39 0.81 0.11 0.00 -0.26 0.00 0.00 64.21 65.26 3hab n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hab n GLU 448 N -5.32 2.44 -0.06 0.00 -0.58 -1.26 -4.20 120.64 111.65 3hab n GLU 448 Ca 0.10 -2.21 -0.10 0.00 -0.42 0.00 0.00 57.16 54.53 3hab n GLU 448 Cb 0.37 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 3hab n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hab h LEU 449 N 4.41 0.29 -5.37 -4.62 3.38 -1.79 -3.39 115.31 108.21 3hab h LEU 449 Ca 0.00 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3hab h LEU 449 Cb 0.97 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 3hab h LEU 449 CO 0.00 0.23 -0.55 0.21 0.09 0.00 0.00 178.44 178.42 3hab s ASN 450 N -5.45 -1.00 0.35 -0.43 3.84 -1.26 -5.06 114.94 105.92 3hab s ASN 450 Ca -0.13 -1.75 0.05 0.00 0.21 0.00 0.00 52.86 51.24 3hab s ASN 450 Cb 0.09 1.57 0.70 0.00 -0.55 0.00 0.00 41.25 43.06 3hab s ASN 450 CO 0.70 -0.09 1.95 -0.65 -2.79 0.00 0.00 177.10 176.22 3hab h PRO 451 N 5.47 0.79 -0.21 0.43 0.11 -1.77 0.30 132.00 137.11 3hab h PRO 451 Ca 0.08 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 3hab h PRO 451 Cb 1.09 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3hab h PRO 451 CO 0.07 0.52 -0.38 0.93 -0.21 0.00 0.00 178.00 178.94 3hab h GLU 452 N 0.81 0.63 0.03 1.05 5.08 -1.97 -3.35 114.58 116.86 3hab h GLU 452 Ca 0.33 -0.40 -0.27 0.00 -1.00 0.00 0.00 59.36 58.02 3hab h GLU 452 Cb 0.25 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3hab h GLU 452 CO -0.11 1.01 -1.47 -0.09 -1.00 0.00 0.00 179.01 177.35 3hab h ARG 453 N 0.32 0.06 -3.78 2.33 2.43 -1.83 -3.41 114.38 110.50 3hab h ARG 453 Ca 0.01 -0.10 -0.56 0.00 -0.81 0.00 0.00 59.98 58.52 3hab h ARG 453 Cb 0.97 0.04 -0.39 0.00 -0.42 0.00 0.00 29.97 30.17 3hab h ARG 453 CO 0.09 0.80 -0.77 0.00 -1.51 0.00 0.00 179.97 178.58 3hab n GLN 455 N 4.89 0.19 -3.55 0.00 6.02 0.10 -4.42 117.38 120.61 3hab n GLN 455 Ca -0.08 -0.50 -0.24 0.00 -0.01 0.00 0.00 57.00 56.16 3hab n GLN 455 Cb 0.45 -0.75 -0.15 0.00 1.02 0.00 0.00 30.24 30.81 3hab n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3hab s TYR 456 N -0.17 0.06 0.09 1.08 6.14 -1.03 -0.61 117.35 122.91 3hab s TYR 456 Ca 0.00 -0.29 0.10 0.00 0.64 0.00 0.00 57.07 57.53 3hab s TYR 456 Cb 0.00 -0.64 -0.03 0.00 0.42 0.00 0.00 41.96 41.71 3hab s TYR 456 CO 0.00 -0.62 -0.27 0.71 0.64 0.00 0.00 175.55 176.01 3hab s TYR 457 N 2.19 2.31 0.41 4.97 2.02 -0.18 -0.77 117.35 128.31 3hab s TYR 457 Ca 0.05 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 3hab s TYR 457 Cb -0.16 -1.31 -0.06 0.00 -0.40 0.00 0.00 41.96 40.03 3hab s TYR 457 CO -0.17 0.24 0.03 -1.54 -1.57 0.00 0.00 175.55 172.54 3hab s SER 458 N -1.68 3.54 0.02 2.29 1.04 -0.07 -4.61 113.70 114.23 3hab s SER 458 Ca 0.13 -1.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.10 3hab s SER 458 Cb -0.10 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3hab s SER 458 CO 0.04 -0.59 -0.00 0.54 0.98 0.00 0.00 173.24 174.21 3hab s VAL 459 N -2.90 0.10 -0.21 5.02 0.11 -1.26 -0.69 120.40 120.57 3hab s VAL 459 Ca 0.29 -0.82 -0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3hab s VAL 459 Cb 0.08 -0.27 0.05 0.00 -1.53 0.00 0.00 36.38 34.71 3hab s VAL 459 CO 0.14 -0.45 -0.04 -0.55 -3.33 0.00 0.00 175.10 170.88 3hab s SER 460 N -1.35 3.36 0.28 3.54 0.15 0.28 -4.97 113.70 114.98 3hab s SER 460 Ca -0.15 -0.95 -0.15 0.00 0.70 0.00 0.00 55.95 55.40 3hab s SER 460 Cb -0.09 -0.99 -0.08 0.00 -1.71 0.00 0.00 66.02 63.15 3hab s SER 460 CO -0.01 -0.23 0.69 -0.36 1.20 0.00 0.00 173.24 174.53 3hab s PHE 461 N 1.56 3.45 1.09 3.44 0.40 -1.26 -0.55 117.98 126.10 3hab s PHE 461 Ca -0.03 1.19 -0.16 0.00 -0.60 0.00 0.00 56.93 57.33 3hab s PHE 461 Cb -0.17 -2.50 0.24 0.00 0.51 0.00 0.00 43.02 41.10 3hab s PHE 461 CO -0.07 0.19 1.12 -1.54 0.70 0.00 0.00 175.22 175.63 3hab s SER 462 N -2.13 1.85 0.25 1.36 1.04 -0.43 -4.88 113.70 110.76 3hab s SER 462 Ca 0.50 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.69 3hab s SER 462 Cb -0.12 -1.19 0.52 0.00 0.10 0.00 0.00 66.02 65.33 3hab s SER 462 CO 0.19 -3.56 1.70 0.11 0.98 0.00 0.00 173.24 172.65 3hab h LYS 463 N -2.20 0.32 -0.20 4.02 1.79 -1.66 -1.52 116.57 117.12 3hab h LYS 463 Ca -0.49 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 57.89 3hab h LYS 463 Cb 1.31 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.84 3hab h LYS 463 CO 0.45 0.21 -0.15 0.39 -1.08 0.00 0.00 179.45 179.27 3hab n GLU 464 N -5.11 1.89 -1.68 3.15 -0.58 -1.26 -4.96 120.64 112.09 3hab n GLU 464 Ca 0.16 -3.05 -0.15 0.00 -0.42 0.00 0.00 57.16 53.69 3hab n GLU 464 Cb 0.49 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 3hab n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hab n ALA 465 N -1.07 -0.29 0.01 0.62 0.00 -0.57 -4.89 120.51 114.31 3hab n ALA 465 Ca 0.25 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 3hab n ALA 465 Cb 0.87 -1.68 0.17 0.00 0.00 0.00 0.00 19.45 18.80 3hab n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hab h LYS 466 N 0.00 0.51 -5.35 0.00 3.64 -1.82 -3.41 116.57 110.14 3hab h LYS 466 Ca -0.33 -0.21 -0.40 0.00 -1.27 0.00 0.00 60.65 58.44 3hab h LYS 466 Cb 1.08 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.72 3hab h LYS 466 CO 0.45 0.76 -0.73 0.71 -2.27 0.00 0.00 179.45 178.37 3hab s TYR 467 N -4.41 1.47 -0.02 1.91 2.02 -1.26 -0.25 117.35 116.81 3hab s TYR 467 Ca -0.07 -0.64 -0.05 0.00 -0.37 0.00 0.00 57.07 55.95 3hab s TYR 467 Cb 0.13 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.97 3hab s TYR 467 CO 0.80 0.21 0.11 1.52 -1.57 0.00 0.00 175.55 176.62 3hab s TYR 468 N -2.90 -0.04 -0.20 2.71 1.13 0.05 -1.32 117.35 116.78 3hab s TYR 468 Ca 0.17 0.10 -0.13 0.00 -1.41 0.00 0.00 57.07 55.80 3hab s TYR 468 Cb -0.01 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 3hab s TYR 468 CO 0.04 -0.15 0.28 -1.14 -2.51 0.00 0.00 175.55 172.07 3hab s GLN 469 N -0.54 4.16 -0.10 -3.49 0.74 0.28 -0.38 119.66 120.33 3hab s GLN 469 Ca -0.06 -0.00 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 3hab s GLN 469 Cb -0.04 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3hab s GLN 469 CO 0.00 0.08 0.25 -0.51 -0.55 0.00 0.00 175.29 174.57 3hab s LEU 470 N 0.96 4.37 -0.30 3.68 1.43 -0.09 -0.55 118.68 128.18 3hab s LEU 470 Ca 0.14 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 3hab s LEU 470 Cb -0.14 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 43.87 3hab s LEU 470 CO 0.05 0.30 -0.02 -0.60 0.23 0.00 0.00 176.35 176.32 3hab s ARG 471 N -0.62 2.09 -0.10 1.70 3.52 0.13 -1.74 118.95 123.92 3hab s ARG 471 Ca 0.17 -1.49 -0.22 0.00 -0.13 0.00 0.00 55.73 54.06 3hab s ARG 471 Cb -0.13 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 3hab s ARG 471 CO 0.06 -0.71 0.67 0.00 -0.81 0.00 0.00 175.30 174.51 3hab n SER 473 N 4.09 2.15 0.00 0.00 3.41 0.05 -1.94 113.62 121.39 3hab n SER 473 Ca -0.02 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3hab n SER 473 Cb 0.51 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3hab n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hab n GLY 474 N -0.21 0.83 0.16 5.00 0.00 -1.26 -1.04 105.19 108.66 3hab n GLY 474 Ca 0.03 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 45.03 3hab n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hab h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.60 0.30 132.00 133.43 3hab h PRO 475 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3hab h PRO 475 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3hab h PRO 475 CO 0.00 0.00 0.04 0.41 -0.23 0.00 0.00 178.00 178.22 3hab n GLY 476 N 0.69 -1.23 3.77 1.56 0.00 0.46 -4.43 105.19 106.01 3hab n GLY 476 Ca 0.04 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 3hab n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hab s LEU 477 N 0.00 4.12 0.31 0.99 1.43 -1.26 -4.56 118.68 119.70 3hab s LEU 477 Ca 0.06 2.50 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 3hab s LEU 477 Cb -0.00 -4.06 -0.13 0.00 0.03 0.00 0.00 46.19 42.03 3hab s LEU 477 CO 0.05 -0.90 1.06 -2.65 0.23 0.00 0.00 176.35 174.14 3hab n PRO 478 N -0.17 1.51 -3.85 1.29 -0.02 -1.26 -4.78 135.00 127.73 3hab n PRO 478 Ca 0.05 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 3hab n PRO 478 Cb 0.46 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.81 3hab n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hab s LEU 479 N 0.09 0.76 -0.16 2.45 2.96 -0.82 -4.08 118.68 119.88 3hab s LEU 479 Ca 0.58 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3hab s LEU 479 Cb -0.66 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 3hab s LEU 479 CO 0.60 -0.16 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.05 3hab s TYR 480 N 1.75 2.86 0.06 5.38 1.51 -0.10 -1.03 117.35 127.79 3hab s TYR 480 Ca 0.02 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 3hab s TYR 480 Cb -0.13 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3hab s TYR 480 CO -0.04 -0.35 -0.08 0.95 -1.11 0.00 0.00 175.55 174.92 3hab s THR 481 N 0.76 0.63 -0.03 -0.71 -4.23 -0.71 -0.42 115.64 110.92 3hab s THR 481 Ca -0.04 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 3hab s THR 481 Cb -0.15 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 3hab s THR 481 CO 0.01 -0.51 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.22 3hab s LEU 482 N -2.00 2.70 0.04 4.79 2.96 -0.54 -0.91 118.68 125.72 3hab s LEU 482 Ca -0.03 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3hab s LEU 482 Cb -0.06 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3hab s LEU 482 CO -0.01 0.33 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.31 3hab s HIS 483 N -0.76 0.51 -0.10 5.38 3.76 0.49 -0.68 115.29 123.88 3hab s HIS 483 Ca 0.12 -0.70 -0.01 0.00 -0.15 0.00 0.00 55.06 54.32 3hab s HIS 483 Cb -0.11 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 3hab s HIS 483 CO 0.01 -0.20 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.10 3hab s SER 484 N -2.06 4.72 0.30 1.40 1.04 -0.85 -0.77 113.70 117.48 3hab s SER 484 Ca -0.05 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.34 3hab s SER 484 Cb -0.04 -1.43 0.49 0.00 0.10 0.00 0.00 66.02 65.14 3hab s SER 484 CO -0.03 0.29 1.80 0.28 0.98 0.00 0.00 173.24 176.56 3hab h SER 485 N 5.81 0.55 -0.25 7.02 0.02 -0.85 -1.37 113.55 124.48 3hab h SER 485 Ca -0.42 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.45 3hab h SER 485 Cb 1.18 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 3hab h SER 485 CO 0.56 0.67 -0.07 1.62 -1.14 0.00 0.00 176.83 178.47 3hab h VAL 486 N 0.53 0.73 -0.03 2.27 3.04 -1.90 -3.01 116.25 117.88 3hab h VAL 486 Ca 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 3hab h VAL 486 Cb 0.46 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3hab h VAL 486 CO 0.02 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.17 3hab n ASN 487 N -5.24 2.43 -4.08 3.17 3.02 -1.26 -5.00 115.26 108.30 3hab n ASN 487 Ca -0.01 -2.83 -0.31 0.00 -0.03 0.00 0.00 54.58 51.40 3hab n ASN 487 Cb 0.16 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3hab n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hab n ASP 488 N -1.11 -2.08 -4.77 6.41 9.92 -0.54 -4.94 116.55 119.44 3hab n ASP 488 Ca 0.13 -0.99 -0.38 0.00 -0.53 0.00 0.00 54.79 53.02 3hab n ASP 488 Cb 0.58 -2.98 -0.02 0.00 -0.64 0.00 0.00 41.12 38.06 3hab n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3hab s LYS 489 N -6.74 4.05 -0.73 -1.24 1.02 -1.08 -4.84 119.74 110.17 3hab s LYS 489 Ca 0.40 1.88 -0.19 0.00 0.02 0.00 0.00 55.97 58.08 3hab s LYS 489 Cb -0.22 -2.69 0.12 0.00 -0.52 0.00 0.00 37.83 34.52 3hab s LYS 489 CO 0.90 -0.34 0.88 0.20 -0.92 0.00 0.00 175.35 176.08 3hab s GLY 490 N -1.08 1.84 0.02 -3.33 0.00 -1.26 -2.00 107.32 101.51 3hab s GLY 490 Ca 0.57 -2.44 -0.27 0.00 0.00 0.00 0.00 44.72 42.58 3hab s GLY 490 CO 0.40 1.76 1.24 1.41 0.00 0.00 0.00 173.10 177.91 3hab h LEU 491 N 10.11 -0.59 -7.00 0.66 3.38 -1.25 -3.48 115.31 117.13 3hab h LEU 491 Ca -0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hab h LEU 491 Cb 1.06 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 3hab h LEU 491 CO 1.08 -0.25 0.24 0.00 0.09 0.00 0.00 178.44 179.60 3hab s ARG 492 N -4.89 1.21 -0.15 1.13 1.70 -1.13 -5.02 118.95 111.81 3hab s ARG 492 Ca -0.15 -0.40 -0.22 0.00 -0.47 0.00 0.00 55.73 54.49 3hab s ARG 492 Cb 0.02 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.93 3hab s ARG 492 CO 0.51 -0.52 0.68 0.08 -1.08 0.00 0.00 175.30 174.97 3hab s VAL 493 N -3.49 5.01 -0.13 4.99 1.01 -1.26 -1.47 120.40 125.06 3hab s VAL 493 Ca 0.01 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 3hab s VAL 493 Cb -0.01 -4.00 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 3hab s VAL 493 CO -0.11 0.15 0.33 0.18 0.00 0.00 0.00 175.10 175.65 3hab n LEU 494 N 4.60 2.36 -3.63 3.92 4.77 0.43 -4.93 117.00 124.54 3hab n LEU 494 Ca -0.01 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 3hab n LEU 494 Cb 0.50 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 3hab n LEU 494 CO 0.46 0.79 0.26 -0.70 -1.33 0.00 0.00 177.39 176.87 3hab s GLU 495 N -2.56 0.57 0.00 3.23 2.56 -1.08 -5.00 118.70 116.43 3hab s GLU 495 Ca -0.21 1.43 0.13 0.00 0.00 0.00 0.00 54.97 56.32 3hab s GLU 495 Cb 0.07 0.86 0.20 0.00 2.00 0.00 0.00 34.13 37.26 3hab s GLU 495 CO 0.76 -0.21 1.06 -0.40 -0.56 0.00 0.00 175.26 175.91 3hab n ASP 496 N 5.44 2.47 -2.95 -1.70 5.68 -1.26 -0.92 116.55 123.31 3hab n ASP 496 Ca -0.12 -1.71 -0.19 0.00 -0.50 0.00 0.00 54.79 52.27 3hab n ASP 496 Cb 0.49 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3hab n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hab n ASN 497 N 0.75 -4.25 0.24 -1.12 3.02 -1.26 -4.83 115.26 107.81 3hab n ASN 497 Ca 0.10 -0.15 0.08 0.00 -0.03 0.00 0.00 54.58 54.58 3hab n ASN 497 Cb 0.38 -3.53 0.59 0.00 -0.61 0.00 0.00 39.78 36.61 3hab n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3hab h SER 498 N -0.67 0.00 -0.03 6.41 4.64 -1.94 -1.71 113.55 120.25 3hab h SER 498 Ca -0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3hab h SER 498 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3hab h SER 498 CO 0.47 0.17 0.01 0.00 -0.87 0.00 0.00 176.83 176.61 3hab h ALA 499 N 1.83 0.04 -0.75 5.18 0.00 -2.00 -1.73 119.26 121.83 3hab h ALA 499 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hab h ALA 499 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3hab h ALA 499 CO 0.02 -0.35 0.48 1.25 0.00 0.00 0.00 179.25 180.65 3hab h LEU 500 N -0.16 0.81 -0.40 0.00 5.85 -1.80 -2.08 115.31 117.53 3hab h LEU 500 Ca 0.01 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3hab h LEU 500 Cb 0.21 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3hab h LEU 500 CO -0.00 0.57 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.86 3hab h ASP 501 N 0.96 -0.24 -0.76 1.25 3.58 -1.16 0.48 116.42 120.54 3hab h ASP 501 Ca 0.29 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.84 3hab h ASP 501 Cb -0.04 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 3hab h ASP 501 CO -0.09 -0.08 0.46 0.50 -2.88 0.00 0.00 179.24 177.15 3hab h LYS 502 N 0.07 1.03 -0.25 0.28 3.64 -0.91 -2.15 116.57 118.28 3hab h LYS 502 Ca 0.20 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3hab h LYS 502 Cb 0.29 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hab h LYS 502 CO -0.36 0.73 0.09 0.52 -2.27 0.00 0.00 179.45 178.16 3hab h MET 503 N 1.04 0.38 0.00 1.90 2.86 -0.68 -3.05 114.93 117.37 3hab h MET 503 Ca 0.27 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3hab h MET 503 Cb -0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3hab h MET 503 CO -0.05 0.42 -0.03 -0.07 1.06 0.00 0.00 176.91 178.25 3hab h LEU 504 N 0.25 0.00 -2.03 1.22 3.38 -0.70 -2.44 115.31 114.99 3hab h LEU 504 Ca 0.08 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3hab h LEU 504 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hab h LEU 504 CO -0.01 0.03 0.16 1.56 0.09 0.00 0.00 178.44 180.27 3hab h GLN 505 N 0.00 0.00 -0.62 1.13 4.20 -1.27 -2.09 115.11 116.45 3hab h GLN 505 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hab h GLN 505 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3hab h GLN 505 CO 0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 3hab n ASN 506 N -4.41 5.15 -4.26 1.46 4.13 -0.92 -4.91 115.26 111.51 3hab n ASN 506 Ca 0.02 -2.72 -0.28 0.00 1.68 0.00 0.00 54.58 53.28 3hab n ASN 506 Cb 0.30 -0.64 -0.15 0.00 -1.54 0.00 0.00 39.78 37.75 3hab n ASN 506 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hab s VAL 507 N -2.38 1.78 -1.06 2.41 1.01 -0.79 -3.53 120.40 117.84 3hab s VAL 507 Ca 0.50 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 3hab s VAL 507 Cb 0.36 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 35.30 3hab s VAL 507 CO 0.18 0.38 1.46 -1.10 0.00 0.00 0.00 175.10 176.02 3hab s GLN 508 N -0.84 3.67 0.32 2.72 -0.21 0.49 -4.98 119.66 120.83 3hab s GLN 508 Ca 0.09 -1.38 -0.17 0.00 0.02 0.00 0.00 55.36 53.92 3hab s GLN 508 Cb -0.09 -5.33 -0.09 0.00 1.00 0.00 0.00 33.01 28.50 3hab s GLN 508 CO 0.00 -2.16 0.76 -1.64 -2.12 0.00 0.00 175.29 170.14 3hab s MET 509 N 4.51 4.09 0.79 2.91 -1.94 -1.26 -4.31 119.30 124.10 3hab s MET 509 Ca 0.46 0.78 -0.12 0.00 -1.71 0.00 0.00 55.69 55.10 3hab s MET 509 Cb 0.00 -2.49 0.07 0.00 2.01 0.00 0.00 34.83 34.41 3hab s MET 509 CO -0.07 0.18 1.10 -1.25 -0.01 0.00 0.00 175.02 174.97 3hab s PRO 510 N -2.79 2.11 0.46 2.03 0.04 -1.26 -4.20 135.00 131.39 3hab s PRO 510 Ca 0.53 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.24 3hab s PRO 510 Cb -0.11 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3hab s PRO 510 CO 0.18 -1.59 0.37 -1.54 0.04 0.00 0.00 177.00 174.45 3hab s SER 511 N -3.96 4.82 -0.10 6.66 1.04 -0.47 -4.92 113.70 116.77 3hab s SER 511 Ca 0.61 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 56.10 3hab s SER 511 Cb -0.14 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.76 3hab s SER 511 CO 0.54 -0.79 -0.13 -0.75 0.98 0.00 0.00 173.24 173.09 3hab s LYS 512 N -4.16 1.96 -0.21 4.02 2.20 -1.26 -0.34 119.74 121.96 3hab s LYS 512 Ca 0.43 -0.46 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 3hab s LYS 512 Cb -0.02 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 3hab s LYS 512 CO 0.25 -0.10 0.26 0.21 -0.36 0.00 0.00 175.35 175.61 3hab s LYS 513 N 1.10 4.14 -0.18 4.03 2.20 -0.11 -4.95 119.74 125.97 3hab s LYS 513 Ca -0.05 -0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 3hab s LYS 513 Cb -0.14 -3.51 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3hab s LYS 513 CO -0.02 0.07 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.76 3hab s LEU 514 N 1.01 2.64 0.00 5.43 2.96 -1.26 -0.53 118.68 128.93 3hab s LEU 514 Ca 0.13 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3hab s LEU 514 Cb -0.14 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3hab s LEU 514 CO 0.05 0.04 0.05 -0.67 -1.32 0.00 0.00 176.35 174.51 3hab n ASP 515 N 4.34 -0.15 -4.06 3.68 -0.08 -0.55 -5.02 116.55 114.72 3hab n ASP 515 Ca -0.19 -1.13 -0.08 0.00 -1.51 0.00 0.00 54.79 51.88 3hab n ASP 515 Cb 0.51 0.25 -0.10 0.00 2.34 0.00 0.00 41.12 44.12 3hab n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3hab s PHE 516 N -6.93 0.45 0.27 -0.67 -0.71 -1.26 -0.63 117.98 108.49 3hab s PHE 516 Ca 0.02 -0.88 0.10 0.00 -1.04 0.00 0.00 56.93 55.13 3hab s PHE 516 Cb -0.00 -0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.43 3hab s PHE 516 CO 0.01 -0.31 -0.16 0.96 -1.34 0.00 0.00 175.22 174.38 3hab s ILE 517 N -3.07 2.21 -0.24 -4.49 -4.36 0.07 -4.96 121.20 106.36 3hab s ILE 517 Ca -0.01 -2.32 -0.06 0.00 -0.26 0.00 0.00 60.65 58.01 3hab s ILE 517 Cb 0.02 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3hab s ILE 517 CO -0.07 -0.42 0.02 -0.63 0.24 0.00 0.00 174.94 174.08 3hab s ILE 518 N -2.67 3.81 -0.22 8.37 1.01 -1.26 -0.62 121.20 129.61 3hab s ILE 518 Ca 0.28 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 3hab s ILE 518 Cb -0.02 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3hab s ILE 518 CO 0.13 0.34 -0.07 -0.76 0.00 0.00 0.00 174.94 174.58 3hab s LEU 519 N 1.53 2.84 -1.30 2.97 1.43 -0.30 -4.80 118.68 121.05 3hab s LEU 519 Ca 0.05 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3hab s LEU 519 Cb -0.15 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3hab s LEU 519 CO 0.00 -0.04 0.89 -3.20 0.23 0.00 0.00 176.35 174.23 3hab n ASN 520 N 4.75 -2.40 0.00 2.29 2.85 -1.26 -1.32 115.26 120.17 3hab n ASN 520 Ca -0.18 -0.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.57 3hab n ASN 520 Cb 0.50 -4.52 0.00 0.00 1.24 0.00 0.00 39.78 37.00 3hab n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hab n GLU 521 N -4.34 -0.28 -4.55 1.20 4.71 -1.26 -5.00 120.64 111.12 3hab n GLU 521 Ca -0.23 0.07 -0.34 0.00 -0.01 0.00 0.00 57.16 56.66 3hab n GLU 521 Cb 0.65 -3.56 -0.12 0.00 -1.01 0.00 0.00 31.44 27.39 3hab n GLU 521 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3hab s THR 522 N -2.30 3.69 0.09 2.62 2.01 -0.43 -5.10 115.64 116.21 3hab s THR 522 Ca 0.00 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 3hab s THR 522 Cb 0.00 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 3hab s THR 522 CO 0.00 0.54 1.09 -1.59 -0.69 0.00 0.00 174.62 173.97 3hab s LYS 523 N -0.09 4.54 -0.06 4.92 -2.85 -1.26 -1.15 119.74 123.80 3hab s LYS 523 Ca 0.01 1.64 0.04 0.00 -1.00 0.00 0.00 55.97 56.66 3hab s LYS 523 Cb -0.13 -3.35 -0.00 0.00 -2.06 0.00 0.00 37.83 32.28 3hab s LYS 523 CO 0.03 -0.05 -0.18 -0.06 0.10 0.00 0.00 175.35 175.19 3hab s PHE 524 N 0.51 1.85 0.15 1.78 0.40 0.21 -4.97 117.98 117.90 3hab s PHE 524 Ca 0.53 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 56.15 3hab s PHE 524 Cb -0.27 -1.26 -0.07 0.00 0.51 0.00 0.00 43.02 41.94 3hab s PHE 524 CO 0.31 -0.23 0.49 -1.58 0.70 0.00 0.00 175.22 174.91 3hab s TRP 525 N 0.19 3.54 0.12 0.36 0.52 -1.25 -0.75 118.94 121.66 3hab s TRP 525 Ca -0.08 0.88 0.01 0.00 0.02 0.00 0.00 56.10 56.94 3hab s TRP 525 Cb -0.13 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.90 3hab s TRP 525 CO 0.04 0.41 -0.03 1.52 0.02 0.00 0.00 176.95 178.90 3hab s TYR 526 N -1.56 0.95 0.08 -1.98 -0.85 0.20 -0.74 117.35 113.45 3hab s TYR 526 Ca 0.39 -0.98 0.06 0.00 -0.52 0.00 0.00 57.07 56.02 3hab s TYR 526 Cb -0.13 -0.55 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 3hab s TYR 526 CO 0.20 -0.21 -0.16 1.14 -1.52 0.00 0.00 175.55 175.00 3hab s GLN 527 N -3.88 0.90 -0.09 -3.49 -2.07 -0.07 -1.48 119.66 109.48 3hab s GLN 527 Ca 0.16 -1.02 0.02 0.00 -1.82 0.00 0.00 55.36 52.70 3hab s GLN 527 Cb 0.06 -0.96 0.02 0.00 -1.09 0.00 0.00 33.01 31.04 3hab s GLN 527 CO -0.02 0.21 -0.13 -1.64 -1.32 0.00 0.00 175.29 172.39 3hab s MET 528 N -1.82 1.92 -0.39 9.60 -1.94 0.31 -1.07 119.30 125.91 3hab s MET 528 Ca 0.00 -0.46 -0.23 0.00 -1.71 0.00 0.00 55.69 53.29 3hab s MET 528 Cb -0.10 -1.66 0.02 0.00 2.01 0.00 0.00 34.83 35.10 3hab s MET 528 CO 0.03 -0.06 0.80 0.42 -0.01 0.00 0.00 175.02 176.20 3hab s ILE 529 N 0.96 4.68 -0.14 2.53 -1.09 0.11 -0.93 121.20 127.33 3hab s ILE 529 Ca -0.08 0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 59.05 3hab s ILE 529 Cb -0.15 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 3hab s ILE 529 CO -0.00 -0.54 0.07 -0.76 -1.23 0.00 0.00 174.94 172.48 3hab s LEU 530 N 3.22 3.96 0.58 2.97 1.43 0.54 -1.78 118.68 129.60 3hab s LEU 530 Ca 0.32 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.46 3hab s LEU 530 Cb -0.13 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 3hab s LEU 530 CO 0.19 0.29 0.64 -2.65 0.23 0.00 0.00 176.35 175.06 3hab n PRO 531 N 2.73 0.60 -1.65 1.29 -0.02 -1.26 -1.37 135.00 135.32 3hab n PRO 531 Ca -0.18 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3hab n PRO 531 Cb 0.53 -1.83 0.01 0.00 -0.02 0.00 0.00 33.50 32.19 3hab n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hab n PRO 532 N -0.35 1.61 -3.58 0.52 -0.04 -1.26 -2.64 135.00 129.26 3hab n PRO 532 Ca 0.12 0.57 -0.23 0.00 -0.04 0.00 0.00 63.50 63.92 3hab n PRO 532 Cb 0.48 -2.16 0.08 0.00 -0.04 0.00 0.00 33.50 31.85 3hab n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hab n HIS 533 N -0.26 -2.84 -1.66 0.54 8.25 -1.26 -4.88 115.22 113.11 3hab n HIS 533 Ca 0.08 1.01 -0.48 0.00 -0.26 0.00 0.00 57.72 58.07 3hab n HIS 533 Cb 0.38 -5.01 -0.05 0.00 1.12 0.00 0.00 29.99 26.43 3hab n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3hab n PHE 534 N -4.96 2.10 -4.00 4.41 7.35 -1.08 -4.95 117.46 116.33 3hab n PHE 534 Ca -0.00 0.32 -0.31 0.00 -0.76 0.00 0.00 57.45 56.70 3hab n PHE 534 Cb 0.56 -2.51 -0.15 0.00 0.35 0.00 0.00 39.48 37.73 3hab n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hab s ASP 535 N 1.41 4.58 0.00 -2.13 3.68 -1.26 -4.98 116.67 117.97 3hab s ASP 535 Ca 0.83 -1.91 0.05 0.00 2.13 0.00 0.00 52.55 53.65 3hab s ASP 535 Cb -0.76 -1.52 0.23 0.00 -1.45 0.00 0.00 42.92 39.42 3hab s ASP 535 CO 0.43 -0.34 1.12 2.29 0.13 0.00 0.00 175.17 178.80 3hab n LYS 536 N 4.37 0.02 0.00 4.34 2.85 -1.26 -0.48 118.16 127.99 3hab n LYS 536 Ca -0.01 0.36 0.13 0.00 -1.05 0.00 0.00 58.31 57.75 3hab n LYS 536 Cb 0.42 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.65 3hab n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3hab n SER 537 N -1.44 1.91 -4.88 -5.58 3.41 -1.26 -4.06 113.62 101.72 3hab n SER 537 Ca 0.02 -1.57 -0.25 0.00 -0.26 0.00 0.00 58.87 56.80 3hab n SER 537 Cb 0.05 0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3hab n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hab s LYS 538 N -2.10 3.18 -0.26 4.33 1.02 0.36 -5.01 119.74 121.27 3hab s LYS 538 Ca 0.32 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 3hab s LYS 538 Cb 0.20 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3hab s LYS 538 CO 0.37 0.49 0.17 0.15 -0.92 0.00 0.00 175.35 175.60 3hab s LYS 539 N -3.30 4.02 0.04 1.68 -0.14 -1.26 -4.15 119.74 116.63 3hab s LYS 539 Ca 0.33 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.68 3hab s LYS 539 Cb -0.10 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.43 3hab s LYS 539 CO 0.26 -0.03 0.02 0.71 -0.76 0.00 0.00 175.35 175.55 3hab s TYR 540 N 1.33 3.07 0.74 3.18 2.02 0.58 -4.69 117.35 123.57 3hab s TYR 540 Ca 0.07 0.05 -0.13 0.00 -0.37 0.00 0.00 57.07 56.69 3hab s TYR 540 Cb -0.14 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3hab s TYR 540 CO 0.07 0.48 1.13 -1.25 -1.57 0.00 0.00 175.55 174.41 3hab s PRO 541 N -1.95 2.28 -0.07 -1.71 0.04 -1.26 -0.29 135.00 132.03 3hab s PRO 541 Ca 0.23 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.74 3hab s PRO 541 Cb -0.12 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3hab s PRO 541 CO 0.15 -1.67 -0.12 -1.17 0.04 0.00 0.00 177.00 174.23 3hab s LEU 542 N -5.41 1.61 -0.24 -3.56 0.20 -0.26 -1.67 118.68 109.34 3hab s LEU 542 Ca 0.67 -0.30 -0.06 0.00 0.69 0.00 0.00 54.13 55.13 3hab s LEU 542 Cb -0.22 -0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 44.69 3hab s LEU 542 CO 0.48 0.02 0.03 -0.22 -0.29 0.00 0.00 176.35 176.36 3hab s LEU 543 N 0.77 3.23 -0.38 -0.68 2.96 0.55 -0.36 118.68 124.77 3hab s LEU 543 Ca -0.13 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 3hab s LEU 543 Cb -0.15 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3hab s LEU 543 CO 0.02 -0.03 0.76 -0.22 -1.32 0.00 0.00 176.35 175.57 3hab s LEU 544 N 1.55 4.17 -0.37 -0.68 2.96 0.51 -0.67 118.68 126.15 3hab s LEU 544 Ca 0.06 0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 54.02 3hab s LEU 544 Cb -0.15 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.57 3hab s LEU 544 CO 0.01 -0.75 0.58 -0.62 -1.32 0.00 0.00 176.35 174.26 3hab s ASP 545 N 1.89 6.36 -0.02 3.68 -1.08 0.16 -0.99 116.67 126.67 3hab s ASP 545 Ca 0.30 -0.01 0.07 0.00 -0.52 0.00 0.00 52.55 52.39 3hab s ASP 545 Cb -0.13 -2.30 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 3hab s ASP 545 CO 0.18 -0.58 -0.23 0.68 0.52 0.00 0.00 175.17 175.74 3hab s VAL 546 N 2.59 2.28 0.00 1.11 -7.23 0.07 -4.34 120.40 114.87 3hab s VAL 546 Ca 0.22 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 3hab s VAL 546 Cb -0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.98 3hab s VAL 546 CO 0.15 0.58 0.00 0.00 -0.31 0.00 0.00 175.10 175.51 3hab n TYR 547 N 2.39 0.00 -1.13 2.82 4.19 -1.26 -4.19 117.16 119.98 3hab n TYR 547 Ca -0.16 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.00 3hab n TYR 547 Cb 0.51 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.32 3hab n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3hab n ALA 548 N -1.82 -0.07 -1.07 2.98 0.00 -1.26 -3.17 120.51 116.11 3hab n ALA 548 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 3hab n ALA 548 Cb 0.00 -0.83 0.17 0.00 0.00 0.00 0.00 19.45 18.79 3hab n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hab s GLY 549 N -2.58 1.59 0.20 0.00 0.00 -1.26 -4.84 107.32 100.43 3hab s GLY 549 Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 44.72 44.26 3hab s GLY 549 CO 0.00 0.42 1.73 -1.55 0.00 0.00 0.00 173.10 173.70 3hab n PRO 550 N -4.16 2.77 -1.51 2.90 -0.04 -1.26 -1.52 135.00 132.17 3hab n PRO 550 Ca 0.06 1.00 -0.10 0.00 -0.04 0.00 0.00 63.50 64.42 3hab n PRO 550 Cb 0.56 -2.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 3hab n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hab s SER 552 N -2.81 5.61 -0.20 0.00 1.04 -0.58 -3.86 113.70 112.91 3hab s SER 552 Ca 0.00 0.84 -0.05 0.00 0.48 0.00 0.00 55.95 57.22 3hab s SER 552 Cb 0.00 -1.81 0.10 0.00 0.10 0.00 0.00 66.02 64.41 3hab s SER 552 CO 0.00 -1.09 0.38 -1.58 0.98 0.00 0.00 173.24 171.92 3hab s GLN 553 N -5.06 0.30 0.00 4.02 0.74 -1.26 -0.63 119.66 117.76 3hab s GLN 553 Ca 0.54 0.80 0.06 0.00 0.05 0.00 0.00 55.36 56.82 3hab s GLN 553 Cb -0.11 -0.03 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 3hab s GLN 553 CO 0.47 -0.40 0.37 1.63 -0.55 0.00 0.00 175.29 176.81 3hab n LYS 554 N 5.37 3.87 -3.74 1.67 4.76 -1.26 -4.88 118.16 123.95 3hab n LYS 554 Ca -0.06 -0.20 -0.38 0.00 -2.87 0.00 0.00 58.31 54.80 3hab n LYS 554 Cb 0.50 -0.87 -0.12 0.00 -1.84 0.00 0.00 35.03 32.69 3hab n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hab s ALA 555 N -1.38 3.07 0.25 7.82 0.00 -1.26 -4.78 121.76 125.47 3hab s ALA 555 Ca 0.04 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.25 3hab s ALA 555 Cb 0.05 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.91 3hab s ALA 555 CO 0.22 -1.28 0.42 -0.40 0.00 0.00 0.00 175.76 174.73 3hab n ASP 556 N 4.84 -1.20 -1.32 0.00 5.68 -1.26 -4.40 116.55 118.89 3hab n ASP 556 Ca -0.13 -2.17 0.09 0.00 -0.50 0.00 0.00 54.79 52.08 3hab n ASP 556 Cb 0.45 2.09 0.31 0.00 -1.14 0.00 0.00 41.12 42.83 3hab n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hab n THR 557 N -0.37 1.82 -2.53 2.12 -2.24 -0.85 -4.95 114.28 107.29 3hab n THR 557 Ca -0.03 -1.30 -0.41 0.00 -2.27 0.00 0.00 64.05 60.04 3hab n THR 557 Cb 0.39 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 3hab n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hab s VAL 558 N -1.93 4.02 -0.08 2.28 1.01 -1.26 -1.49 120.40 122.96 3hab s VAL 558 Ca 0.45 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 3hab s VAL 558 Cb 0.30 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3hab s VAL 558 CO 0.20 0.24 1.09 0.12 0.00 0.00 0.00 175.10 176.75 3hab s PHE 559 N 0.14 3.38 -0.00 5.22 5.36 -0.20 -4.93 117.98 126.95 3hab s PHE 559 Ca 0.51 1.43 0.02 0.00 -0.96 0.00 0.00 56.93 57.93 3hab s PHE 559 Cb -0.28 -3.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.10 3hab s PHE 559 CO 0.33 -0.72 -0.07 1.03 -1.46 0.00 0.00 175.22 174.33 3hab s ARG 560 N 2.04 0.55 -0.38 10.12 0.52 -1.26 -4.91 118.95 125.64 3hab s ARG 560 Ca 0.52 -0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.41 3hab s ARG 560 Cb -0.21 -0.52 0.08 0.00 0.52 0.00 0.00 34.95 34.82 3hab s ARG 560 CO 0.20 0.14 0.15 -0.51 0.02 0.00 0.00 175.30 175.30 3hab s LEU 561 N -0.26 4.81 0.00 2.53 1.43 -1.26 -4.86 118.68 121.06 3hab s LEU 561 Ca 0.02 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 3hab s LEU 561 Cb -0.03 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3hab s LEU 561 CO -0.00 -0.45 0.00 -0.46 0.23 0.00 0.00 176.35 175.67 3hab n ASN 562 N 4.67 0.00 -0.23 2.29 0.23 -1.26 -5.00 115.26 115.97 3hab n ASN 562 Ca -0.07 -0.40 -0.05 0.00 -0.53 0.00 0.00 54.58 53.53 3hab n ASN 562 Cb 0.42 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.17 3hab n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hab h TRP 563 N 0.40 0.78 -0.52 -2.53 7.01 -1.97 -1.98 115.95 117.14 3hab h TRP 563 Ca 0.00 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.10 3hab h TRP 563 Cb 0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.77 3hab h TRP 563 CO 0.00 0.48 0.35 0.00 -2.79 0.00 0.00 178.44 176.48 3hab h ALA 564 N 1.25 2.03 -0.46 2.65 0.00 -1.98 -0.81 119.26 121.94 3hab h ALA 564 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hab h ALA 564 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hab h ALA 564 CO -0.07 -0.15 0.23 1.15 0.00 0.00 0.00 179.25 180.41 3hab h THR 565 N 0.34 1.18 -0.27 0.00 2.02 -1.69 -1.65 112.91 112.84 3hab h THR 565 Ca 0.23 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3hab h THR 565 Cb 0.48 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3hab h THR 565 CO -0.06 0.20 0.05 0.22 0.37 0.00 0.00 175.52 176.30 3hab h TYR 566 N 0.60 0.47 -0.78 3.16 3.20 -1.23 0.19 116.97 122.58 3hab h TYR 566 Ca 0.16 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3hab h TYR 566 Cb 0.11 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 3hab h TYR 566 CO -0.01 0.54 0.50 -0.07 -1.64 0.00 0.00 178.16 177.49 3hab h LEU 567 N 0.26 0.84 -0.02 2.82 3.38 -1.03 0.15 115.31 121.70 3hab h LEU 567 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hab h LEU 567 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hab h LEU 567 CO 0.00 0.58 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 3hab h ALA 568 N 1.32 0.03 -0.11 1.53 0.00 -1.26 -1.80 119.26 118.96 3hab h ALA 568 Ca 0.31 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hab h ALA 568 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hab h ALA 568 CO -0.10 -0.15 -0.40 1.03 0.00 0.00 0.00 179.25 179.63 3hab h SER 569 N -0.51 0.54 0.07 0.00 0.87 -0.74 -2.76 113.55 111.02 3hab h SER 569 Ca -0.00 -0.62 -0.37 0.00 -1.23 0.00 0.00 61.79 59.58 3hab h SER 569 Cb 0.63 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 3hab h SER 569 CO 0.01 1.07 -2.13 0.41 -0.53 0.00 0.00 176.83 175.65 3hab n THR 570 N -4.32 1.65 1.02 2.23 -1.04 0.49 -4.53 114.28 109.78 3hab n THR 570 Ca -0.08 -0.56 0.12 0.00 -2.04 0.00 0.00 64.05 61.49 3hab n THR 570 Cb 0.54 -1.66 0.09 0.00 -1.82 0.00 0.00 70.33 67.48 3hab n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hab n GLU 571 N -3.53 2.01 -3.82 -2.82 -0.58 -0.88 -4.98 120.64 106.04 3hab n GLU 571 Ca -0.38 -1.64 -0.27 0.00 -0.42 0.00 0.00 57.16 54.44 3hab n GLU 571 Cb 0.99 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 30.43 3hab n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hab n ASN 572 N 0.94 -4.39 -4.68 1.62 5.03 -0.82 -4.94 115.26 108.02 3hab n ASN 572 Ca 0.13 -0.75 -0.35 0.00 0.87 0.00 0.00 54.58 54.49 3hab n ASN 572 Cb 0.55 -4.12 -0.09 0.00 -1.02 0.00 0.00 39.78 35.10 3hab n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hab s ILE 573 N -3.37 4.85 -0.04 2.41 1.01 -0.74 -4.45 121.20 120.87 3hab s ILE 573 Ca 0.53 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 3hab s ILE 573 Cb -0.26 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 3hab s ILE 573 CO 0.81 0.50 1.12 -0.63 0.00 0.00 0.00 174.94 176.74 3hab s ILE 574 N 0.04 4.44 -0.31 2.92 1.01 -0.67 -3.45 121.20 125.18 3hab s ILE 574 Ca 0.06 1.75 -0.07 0.00 0.00 0.00 0.00 60.65 62.38 3hab s ILE 574 Cb -0.12 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3hab s ILE 574 CO 0.01 0.04 0.10 -0.69 0.00 0.00 0.00 174.94 174.40 3hab s VAL 575 N 1.79 4.07 0.08 2.92 1.01 -0.74 -0.33 120.40 129.20 3hab s VAL 575 Ca 0.54 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3hab s VAL 575 Cb -0.23 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3hab s VAL 575 CO 0.23 0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.25 3hab s ALA 576 N 1.51 2.90 0.05 5.51 0.00 0.16 0.10 121.76 131.98 3hab s ALA 576 Ca 0.02 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3hab s ALA 576 Cb -0.18 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3hab s ALA 576 CO 0.03 0.62 -0.09 -1.12 0.00 0.00 0.00 175.76 175.21 3hab s SER 577 N -1.94 1.01 -0.01 0.00 0.01 -0.23 0.36 113.70 112.89 3hab s SER 577 Ca 0.19 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3hab s SER 577 Cb -0.11 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3hab s SER 577 CO 0.11 -0.18 -0.05 0.12 0.41 0.00 0.00 173.24 173.65 3hab s PHE 578 N -1.36 0.53 -0.41 2.43 5.36 -1.26 -0.89 117.98 122.37 3hab s PHE 578 Ca -0.09 -0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 55.72 3hab s PHE 578 Cb -0.10 -0.37 0.09 0.00 -0.34 0.00 0.00 43.02 42.30 3hab s PHE 578 CO 0.01 -0.03 0.23 -0.51 -1.46 0.00 0.00 175.22 173.45 3hab s ASP 579 N 0.04 5.44 0.00 6.13 1.01 0.08 -4.79 116.67 124.58 3hab s ASP 579 Ca -0.00 -1.75 0.00 0.00 0.71 0.00 0.00 52.55 51.51 3hab s ASP 579 Cb -0.04 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 41.98 3hab s ASP 579 CO -0.00 -0.54 0.00 0.61 0.21 0.00 0.00 175.17 175.45 3hab n GLY 580 N 4.77 2.59 3.77 0.21 0.00 -1.26 -3.85 105.19 111.41 3hab n GLY 580 Ca -0.07 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 3hab n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hab s ARG 581 N 3.37 3.77 0.00 1.61 0.52 -1.26 -1.85 118.95 125.11 3hab s ARG 581 Ca 0.00 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 3hab s ARG 581 Cb 0.00 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3hab s ARG 581 CO 0.00 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 174.98 3hab n GLY 582 N 0.58 2.43 3.80 -3.53 0.00 0.98 -4.09 105.19 105.36 3hab n GLY 582 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hab n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hab s SER 583 N -2.10 4.81 0.56 1.61 1.04 -0.77 0.04 113.70 118.89 3hab s SER 583 Ca 0.00 1.51 0.05 0.00 0.48 0.00 0.00 55.95 57.99 3hab s SER 583 Cb 0.00 -2.30 0.07 0.00 0.10 0.00 0.00 66.02 63.89 3hab s SER 583 CO 0.00 -1.80 0.78 -0.83 0.98 0.00 0.00 173.24 172.37 3hab s GLY 584 N -3.77 1.81 -0.65 7.32 0.00 0.20 -3.62 107.32 108.61 3hab s GLY 584 Ca 0.60 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3hab s GLY 584 CO 0.55 -1.39 0.00 -1.72 0.00 0.00 0.00 173.10 170.54 3hab n TYR 585 N -2.29 0.00 -1.45 1.90 4.01 -1.26 -4.82 117.16 113.25 3hab n TYR 585 Ca 0.12 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 3hab n TYR 585 Cb 0.60 -1.54 0.06 0.00 -0.31 0.00 0.00 39.34 38.15 3hab n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3hab n GLN 586 N -2.11 0.68 0.00 -0.72 6.02 -1.26 -4.35 117.38 115.64 3hab n GLN 586 Ca -0.06 -1.62 0.00 0.00 -0.01 0.00 0.00 57.00 55.31 3hab n GLN 586 Cb 0.29 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.62 3hab n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hab n GLY 587 N -0.60 -0.11 0.19 1.08 0.00 -1.26 -4.63 105.19 99.85 3hab n GLY 587 Ca 0.06 -1.70 0.06 0.00 0.00 0.00 0.00 46.02 44.44 3hab n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hab h ASP 588 N 0.00 0.00 -0.56 1.61 3.32 -0.13 -1.82 116.42 118.83 3hab h ASP 588 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3hab h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3hab h ASP 588 CO 0.00 0.37 0.20 0.50 -1.72 0.00 0.00 179.24 178.59 3hab h LYS 589 N 0.00 0.36 0.03 3.56 3.64 -1.86 0.33 116.57 122.63 3hab h LYS 589 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hab h LYS 589 Cb 0.91 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hab h LYS 589 CO 0.05 0.24 -0.01 0.82 -2.27 0.00 0.00 179.45 178.27 3hab h ILE 590 N 0.37 1.43 -0.27 2.00 2.04 -1.80 -3.24 117.51 118.05 3hab h ILE 590 Ca 0.28 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3hab h ILE 590 Cb 0.33 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3hab h ILE 590 CO -0.29 0.40 0.11 -0.03 0.00 0.00 0.00 178.15 178.34 3hab h MET 591 N -0.76 0.39 -0.05 2.37 4.05 -1.15 0.28 114.93 120.08 3hab h MET 591 Ca -0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3hab h MET 591 Cb 0.68 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 3hab h MET 591 CO 0.01 0.41 0.00 0.72 0.23 0.00 0.00 176.91 178.28 3hab n HIS 592 N -4.78 0.06 0.26 1.39 8.25 0.11 -3.92 115.22 116.60 3hab n HIS 592 Ca -0.03 -0.03 0.09 0.00 -0.26 0.00 0.00 57.72 57.50 3hab n HIS 592 Cb 0.12 0.00 0.68 0.00 1.12 0.00 0.00 29.99 31.91 3hab n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hab h ALA 593 N 3.58 1.78 -0.63 -1.41 0.00 -1.53 -1.97 119.26 119.07 3hab h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hab h ALA 593 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hab h ALA 593 CO 0.00 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.75 3hab n ILE 594 N -4.28 0.92 -1.68 0.00 -6.64 -1.25 -4.93 119.36 101.50 3hab n ILE 594 Ca -0.03 -0.87 -0.46 0.00 -1.77 0.00 0.00 62.75 59.63 3hab n ILE 594 Cb 0.13 0.39 -0.04 0.00 -1.44 0.00 0.00 39.64 38.68 3hab n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3hab n ASN 595 N 1.33 3.38 0.00 7.28 2.85 -0.74 -1.07 115.26 128.29 3hab n ASN 595 Ca 0.21 1.04 0.00 0.00 -0.11 0.00 0.00 54.58 55.72 3hab n ASN 595 Cb 0.56 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.14 3hab n ASN 595 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3hab n ARG 596 N 4.57 -0.96 -2.70 1.20 1.74 0.35 -4.85 116.66 116.01 3hab n ARG 596 Ca 0.18 0.24 -0.09 0.00 -0.77 0.00 0.00 57.85 57.41 3hab n ARG 596 Cb 0.31 -4.07 0.05 0.00 -1.02 0.00 0.00 32.46 27.73 3hab n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hab n ARG 597 N -0.91 1.14 -1.72 5.56 5.12 -0.23 -4.90 116.66 120.72 3hab n ARG 597 Ca 0.00 -2.91 -0.34 0.00 -1.93 0.00 0.00 57.85 52.67 3hab n ARG 597 Cb 0.24 -0.99 0.06 0.00 -1.16 0.00 0.00 32.46 30.61 3hab n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hab s LEU 598 N -3.09 3.45 -0.84 0.55 1.43 -1.21 -3.12 118.68 115.86 3hab s LEU 598 Ca 0.26 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3hab s LEU 598 Cb 0.44 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 42.08 3hab s LEU 598 CO 0.00 -1.86 0.00 0.61 0.23 0.00 0.00 176.35 175.33 3hab n GLY 599 N 0.19 0.72 0.00 -3.19 0.00 -1.26 -4.86 105.19 96.78 3hab n GLY 599 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3hab n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hab n THR 600 N -3.14 0.00 0.13 2.61 -2.24 -1.18 -4.81 114.28 105.65 3hab n THR 600 Ca -0.09 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.73 3hab n THR 600 Cb 0.37 -0.01 0.43 0.00 -2.10 0.00 0.00 70.33 69.02 3hab n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3hab h PHE 601 N 0.00 0.23 -0.04 4.78 0.04 -1.92 -0.85 116.94 119.18 3hab h PHE 601 Ca 0.00 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 3hab h PHE 601 Cb 0.00 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3hab h PHE 601 CO 0.00 0.30 -0.51 1.05 -0.60 0.00 0.00 178.31 178.55 3hab h GLU 602 N 0.22 0.10 -0.01 1.51 9.09 -1.90 -0.24 114.58 123.34 3hab h GLU 602 Ca 0.05 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 3hab h GLU 602 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3hab h GLU 602 CO 0.01 0.58 -0.14 0.28 0.05 0.00 0.00 179.01 179.79 3hab h VAL 603 N 0.08 1.54 -0.86 -1.06 2.07 -1.65 -3.05 116.25 113.31 3hab h VAL 603 Ca -0.00 -1.80 0.11 0.00 0.82 0.00 0.00 66.70 65.83 3hab h VAL 603 Cb 0.93 2.69 -0.08 0.00 -1.52 0.00 0.00 31.29 33.31 3hab h VAL 603 CO 0.07 0.49 0.49 -0.33 0.02 0.00 0.00 177.57 178.31 3hab h GLU 604 N -0.56 0.77 -0.13 1.57 5.08 -1.12 -2.43 114.58 117.76 3hab h GLU 604 Ca -0.01 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 3hab h GLU 604 Cb 0.87 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3hab h GLU 604 CO 0.03 0.51 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.60 3hab h ASP 605 N 0.79 0.38 -0.66 1.42 3.32 -1.11 -0.30 116.42 120.26 3hab h ASP 605 Ca 0.43 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3hab h ASP 605 Cb 0.46 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3hab h ASP 605 CO -0.28 0.83 0.36 1.56 -1.72 0.00 0.00 179.24 179.98 3hab h GLN 606 N 0.28 0.92 -0.34 3.56 1.08 -1.37 -0.25 115.11 118.98 3hab h GLN 606 Ca 0.01 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3hab h GLN 606 Cb 0.99 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 3hab h GLN 606 CO 0.08 0.70 0.14 0.82 -0.95 0.00 0.00 178.83 179.62 3hab h ILE 607 N 0.90 1.18 -0.51 2.54 2.04 -1.08 -1.98 117.51 120.61 3hab h ILE 607 Ca 0.23 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hab h ILE 607 Cb 0.05 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3hab h ILE 607 CO -0.04 0.20 0.31 -0.08 0.00 0.00 0.00 178.15 178.54 3hab h GLU 608 N 0.41 0.69 -0.47 2.37 4.57 -0.89 0.18 114.58 121.44 3hab h GLU 608 Ca 0.12 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.28 3hab h GLU 608 Cb 0.18 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3hab h GLU 608 CO -0.01 0.50 0.22 0.00 -1.18 0.00 0.00 179.01 178.54 3hab h ALA 609 N 1.15 0.58 -0.46 2.92 0.00 -0.95 -0.33 119.26 122.17 3hab h ALA 609 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hab h ALA 609 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hab h ALA 609 CO -0.03 -0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.24 3hab h ALA 610 N 1.26 0.60 -0.58 0.00 0.00 -1.09 0.20 119.26 119.65 3hab h ALA 610 Ca 0.21 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3hab h ALA 610 Cb 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3hab h ALA 610 CO -0.16 0.22 0.13 -0.09 0.00 0.00 0.00 179.25 179.35 3hab h ARG 611 N 0.60 0.26 -0.04 0.00 2.43 -0.65 0.26 114.38 117.23 3hab h ARG 611 Ca 0.15 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3hab h ARG 611 Cb 0.22 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hab h ARG 611 CO -0.01 0.17 -0.00 1.96 -1.51 0.00 0.00 179.97 180.58 3hab h GLN 612 N 0.27 0.07 -0.98 0.20 4.20 -0.54 -3.01 115.11 115.33 3hab h GLN 612 Ca 0.30 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.13 3hab h GLN 612 Cb 0.43 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 3hab h GLN 612 CO -0.38 0.36 0.60 0.74 -0.67 0.00 0.00 178.83 179.48 3hab h PHE 613 N -0.22 1.07 0.00 2.96 0.04 -0.20 -0.92 116.94 119.67 3hab h PHE 613 Ca 0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3hab h PHE 613 Cb 0.33 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3hab h PHE 613 CO 0.03 0.35 0.00 0.66 -0.60 0.00 0.00 178.31 178.75 3hab h SER 614 N 0.87 0.00 0.07 2.17 4.64 -0.36 -1.83 113.55 119.11 3hab h SER 614 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3hab h SER 614 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3hab h SER 614 CO -0.31 0.00 -0.56 0.29 -0.87 0.00 0.00 176.83 175.37 3hab n LYS 615 N -2.39 0.77 -2.50 4.77 5.02 -0.36 -4.57 118.16 118.90 3hab n LYS 615 Ca 0.00 -0.61 -0.35 0.00 -2.02 0.00 0.00 58.31 55.34 3hab n LYS 615 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3hab n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hab s MET 616 N -2.64 3.91 0.58 1.97 -1.94 -0.69 -4.94 119.30 115.55 3hab s MET 616 Ca 0.16 1.48 0.36 0.00 -1.71 0.00 0.00 55.69 55.98 3hab s MET 616 Cb 0.18 -2.29 1.71 0.00 2.01 0.00 0.00 34.83 36.43 3hab s MET 616 CO 0.64 -0.35 2.12 0.78 -0.01 0.00 0.00 175.02 178.20 3hab h GLY 617 N 1.95 0.00 -2.28 -0.03 0.00 -1.87 -2.90 103.07 97.94 3hab h GLY 617 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3hab h GLY 617 CO 0.60 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.11 3hab n PHE 618 N -3.16 0.51 -4.33 5.60 1.16 -1.26 -4.57 117.46 111.41 3hab n PHE 618 Ca -0.01 -0.26 -0.34 0.00 -1.87 0.00 0.00 57.45 54.97 3hab n PHE 618 Cb 0.23 -0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.98 3hab n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3hab s VAL 619 N -1.44 4.06 -0.60 1.97 1.01 -1.10 -0.31 120.40 124.00 3hab s VAL 619 Ca 0.38 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 3hab s VAL 619 Cb 0.22 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3hab s VAL 619 CO 0.31 0.49 1.13 -0.62 0.00 0.00 0.00 175.10 176.41 3hab s ASP 620 N 0.33 6.36 0.29 3.32 -1.08 0.60 -4.74 116.67 121.75 3hab s ASP 620 Ca -0.03 -0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.09 3hab s ASP 620 Cb -0.14 -2.52 1.06 0.00 -1.46 0.00 0.00 42.92 39.87 3hab s ASP 620 CO 0.02 -1.46 1.70 -0.46 0.52 0.00 0.00 175.17 175.49 3hab n ASN 621 N 8.28 0.65 0.07 -0.34 0.23 -1.26 -0.86 115.26 122.02 3hab n ASN 621 Ca 0.05 0.71 0.13 0.00 -0.53 0.00 0.00 54.58 54.94 3hab n ASN 621 Cb 0.48 -0.83 0.39 0.00 -2.08 0.00 0.00 39.78 37.75 3hab n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3hab n LYS 622 N -2.26 0.20 -3.42 -3.83 5.02 -1.26 -4.41 118.16 108.19 3hab n LYS 622 Ca 0.01 0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 3hab n LYS 622 Cb 0.16 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 3hab n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hab n ARG 623 N -2.03 1.45 -4.82 1.97 1.74 -0.04 -4.81 116.66 110.12 3hab n ARG 623 Ca 0.05 -3.93 -0.31 0.00 -0.77 0.00 0.00 57.85 52.89 3hab n ARG 623 Cb 0.41 -1.83 -0.17 0.00 -1.02 0.00 0.00 32.46 29.85 3hab n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hab s ILE 624 N -1.48 1.89 0.36 0.55 1.01 -1.26 -1.10 121.20 121.17 3hab s ILE 624 Ca 0.35 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3hab s ILE 624 Cb 0.11 -1.66 -0.07 0.00 0.01 0.00 0.00 42.46 40.84 3hab s ILE 624 CO -0.10 0.52 0.00 0.00 0.00 0.00 0.00 174.94 175.36 3hab s ALA 625 N 0.66 2.81 -0.01 9.38 0.00 0.51 -0.62 121.76 134.49 3hab s ALA 625 Ca -0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 51.96 49.66 3hab s ALA 625 Cb -0.16 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3hab s ALA 625 CO 0.03 -0.14 0.05 -1.50 0.00 0.00 0.00 175.76 174.20 3hab s ILE 626 N -2.90 0.02 0.07 0.00 2.07 -0.91 -0.36 121.20 119.18 3hab s ILE 626 Ca 0.34 -0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.33 3hab s ILE 626 Cb 0.08 -0.12 0.01 0.00 0.13 0.00 0.00 42.46 42.56 3hab s ILE 626 CO 0.16 -0.07 0.27 -1.66 -1.91 0.00 0.00 174.94 171.73 3hab s TRP 627 N -0.20 -0.03 0.04 3.50 1.48 -0.16 -1.44 118.94 122.14 3hab s TRP 627 Ca -0.02 -0.24 -0.28 0.00 -1.06 0.00 0.00 56.10 54.50 3hab s TRP 627 Cb -0.02 0.06 0.09 0.00 -1.16 0.00 0.00 33.47 32.45 3hab s TRP 627 CO 0.00 -0.54 0.99 0.20 -4.06 0.00 0.00 176.95 173.54 3hab s GLY 628 N -2.43 -0.35 0.01 3.67 0.00 -0.93 -0.75 107.32 106.54 3hab s GLY 628 Ca -0.01 0.66 0.07 0.00 0.00 0.00 0.00 44.72 45.44 3hab s GLY 628 CO -0.07 0.19 -0.20 0.86 0.00 0.00 0.00 173.10 173.88 3hab s TRP 629 N -3.05 1.81 0.00 1.90 -0.11 -1.26 -1.49 118.94 116.73 3hab s TRP 629 Ca 0.09 -0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.06 3hab s TRP 629 Cb -0.00 -1.13 0.00 0.00 -1.50 0.00 0.00 33.47 30.84 3hab s TRP 629 CO -0.03 0.02 0.00 0.45 -4.62 0.00 0.00 176.95 172.77 3hab n SER 630 N 2.28 0.00 -0.34 5.86 2.88 0.53 -0.79 113.62 124.04 3hab n SER 630 Ca -0.16 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3hab n SER 630 Cb 0.53 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.27 3hab n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hab h TYR 631 N 0.00 1.06 0.00 0.66 5.03 -1.88 -0.92 116.97 120.93 3hab h TYR 631 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3hab h TYR 631 Cb 0.00 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 37.94 3hab h TYR 631 CO 0.00 0.42 -0.19 0.78 -1.32 0.00 0.00 178.16 177.85 3hab h GLY 632 N 0.93 0.00 0.96 1.82 0.00 -0.92 -1.76 103.07 104.10 3hab h GLY 632 Ca 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 3hab h GLY 632 CO -0.24 0.00 0.01 -1.33 0.00 0.00 0.00 176.54 174.97 3hab h GLY 633 N 0.67 0.80 0.76 4.60 0.00 -1.12 -0.32 103.07 108.47 3hab h GLY 633 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.76 3hab h GLY 633 CO 0.03 0.54 -0.11 -1.82 0.00 0.00 0.00 176.54 175.17 3hab h TYR 634 N 0.58 -0.28 -0.60 5.60 3.20 -1.04 -1.03 116.97 123.40 3hab h TYR 634 Ca 0.12 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3hab h TYR 634 Cb 0.47 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3hab h TYR 634 CO 0.04 -0.17 0.24 0.28 -1.64 0.00 0.00 178.16 176.91 3hab h VAL 635 N -0.20 1.23 -0.40 1.81 2.07 -1.28 -0.01 116.25 119.46 3hab h VAL 635 Ca 0.03 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.89 3hab h VAL 635 Cb 0.24 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3hab h VAL 635 CO -0.09 0.28 0.09 0.74 0.02 0.00 0.00 177.57 178.62 3hab h THR 636 N 0.84 0.81 -0.46 2.57 2.02 -0.96 0.35 112.91 118.07 3hab h THR 636 Ca 0.20 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3hab h THR 636 Cb 0.21 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3hab h THR 636 CO -0.02 0.04 0.12 0.28 0.37 0.00 0.00 175.52 176.32 3hab h SER 637 N 0.23 0.69 -0.74 4.18 0.02 -0.72 -0.46 113.55 116.74 3hab h SER 637 Ca 0.19 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3hab h SER 637 Cb 0.22 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3hab h SER 637 CO -0.24 0.73 0.36 0.24 -1.14 0.00 0.00 176.83 176.78 3hab h MET 638 N 0.61 1.09 -0.25 3.45 2.86 -0.79 -1.05 114.93 120.85 3hab h MET 638 Ca 0.15 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3hab h MET 638 Cb 0.31 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3hab h MET 638 CO -0.00 0.84 0.07 0.28 1.06 0.00 0.00 176.91 179.16 3hab h VAL 639 N 1.08 1.20 0.00 -2.22 2.07 -0.66 -2.32 116.25 115.40 3hab h VAL 639 Ca 0.26 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3hab h VAL 639 Cb 0.12 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3hab h VAL 639 CO -0.03 0.21 -0.24 -0.07 0.02 0.00 0.00 177.57 177.46 3hab h LEU 640 N 0.23 0.00 -1.50 2.57 3.38 -0.91 -1.82 115.31 117.26 3hab h LEU 640 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hab h LEU 640 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hab h LEU 640 CO -0.00 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.38 3hab n GLY 641 N -0.03 0.84 0.16 0.83 0.00 -0.41 -4.32 105.19 102.26 3hab n GLY 641 Ca -0.00 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3hab n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hab h SER 642 N 2.63 0.00 -0.03 1.61 4.64 -0.75 -3.43 113.55 118.22 3hab h SER 642 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3hab h SER 642 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3hab h SER 642 CO 0.00 0.01 -0.01 0.61 -0.87 0.00 0.00 176.83 176.57 3hab n GLY 643 N 1.19 0.48 0.24 -0.77 0.00 -1.26 -4.95 105.19 100.12 3hab n GLY 643 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.67 3hab n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hab h SER 644 N 0.00 0.26 0.00 1.61 4.64 -1.91 -3.46 113.55 114.68 3hab h SER 644 Ca -0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hab h SER 644 Cb 0.09 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hab h SER 644 CO 0.02 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3hab n GLY 645 N -0.88 1.07 0.15 -0.77 0.00 -1.26 -4.91 105.19 98.58 3hab n GLY 645 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hab n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hab h VAL 646 N 0.00 1.43 -3.26 1.61 2.07 -1.96 -3.45 116.25 112.69 3hab h VAL 646 Ca 0.00 -2.48 -0.63 0.00 0.82 0.00 0.00 66.70 64.41 3hab h VAL 646 Cb 0.00 2.41 -0.17 0.00 -1.52 0.00 0.00 31.29 32.02 3hab h VAL 646 CO 0.00 0.73 -0.59 -0.36 0.02 0.00 0.00 177.57 177.37 3hab s PHE 647 N -3.27 3.21 0.11 1.57 0.08 -1.26 -4.57 117.98 113.84 3hab s PHE 647 Ca -0.05 0.04 -0.08 0.00 0.12 0.00 0.00 56.93 56.96 3hab s PHE 647 Cb 0.09 -2.00 -0.14 0.00 -0.57 0.00 0.00 43.02 40.40 3hab s PHE 647 CO 0.85 0.20 1.26 -0.22 -0.10 0.00 0.00 175.22 177.21 3hab h LYS 648 N 6.36 0.52 -3.29 0.44 3.64 -1.18 -3.46 116.57 119.60 3hab h LYS 648 Ca -0.39 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 58.41 3hab h LYS 648 Cb 1.18 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 3hab h LYS 648 CO 0.66 1.19 0.02 0.00 -2.27 0.00 0.00 179.45 179.04 3hab s GLY 650 N -2.84 -0.40 -0.09 0.00 0.00 0.35 -2.15 107.32 102.20 3hab s GLY 650 Ca 0.06 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.01 3hab s GLY 650 CO -0.07 0.07 -0.15 -0.42 0.00 0.00 0.00 173.10 172.53 3hab s ILE 651 N -3.76 1.45 -0.17 0.90 1.01 -0.52 -1.10 121.20 119.02 3hab s ILE 651 Ca 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 3hab s ILE 651 Cb -0.03 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3hab s ILE 651 CO -0.05 0.43 -0.09 0.00 0.00 0.00 0.00 174.94 175.23 3hab s ALA 652 N 0.81 2.71 -0.14 9.38 0.00 -0.36 -2.19 121.76 131.97 3hab s ALA 652 Ca -0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3hab s ALA 652 Cb -0.16 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 3hab s ALA 652 CO 0.01 -0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.68 3hab s VAL 653 N 0.87 3.23 -1.40 0.00 1.01 -0.56 -1.42 120.40 122.13 3hab s VAL 653 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3hab s VAL 653 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3hab s VAL 653 CO 0.00 0.51 0.22 0.00 0.00 0.00 0.00 175.10 175.84 3hab n ALA 654 N 3.65 -2.18 -1.79 5.51 0.00 0.72 -0.35 120.51 126.07 3hab n ALA 654 Ca -0.18 -0.47 -0.36 0.00 0.00 0.00 0.00 53.44 52.43 3hab n ALA 654 Cb 0.52 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3hab n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hab s PRO 655 N -7.33 4.35 0.37 0.00 0.04 -1.26 -3.32 135.00 127.84 3hab s PRO 655 Ca 0.16 1.33 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 3hab s PRO 655 Cb -0.09 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.81 3hab s PRO 655 CO 0.97 0.06 1.27 0.08 0.04 0.00 0.00 177.00 179.42 3hab s VAL 656 N -1.78 2.78 0.00 -0.36 1.01 -1.25 -4.40 120.40 116.40 3hab s VAL 656 Ca 0.56 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3hab s VAL 656 Cb -0.17 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3hab s VAL 656 CO 0.22 0.13 0.00 -1.54 0.00 0.00 0.00 175.10 173.91 3hab n SER 657 N 0.44 4.64 -3.66 3.32 3.41 -1.26 -4.04 113.62 116.45 3hab n SER 657 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 3hab n SER 657 Cb 0.43 0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 65.06 3hab n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hab s ARG 658 N -1.88 0.46 0.49 4.33 3.52 -1.26 -0.64 118.95 123.97 3hab s ARG 658 Ca 0.00 1.09 0.23 0.00 -0.13 0.00 0.00 55.73 56.92 3hab s ARG 658 Cb 0.00 0.31 1.27 0.00 -1.56 0.00 0.00 34.95 34.96 3hab s ARG 658 CO 0.00 -0.20 2.02 -1.49 -0.81 0.00 0.00 175.30 174.83 3hab h TRP 659 N 7.64 0.00 0.00 5.12 4.06 -1.86 -0.71 115.95 130.20 3hab h TRP 659 Ca -0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.71 3hab h TRP 659 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3hab h TRP 659 CO 0.21 0.16 0.00 0.93 -3.56 0.00 0.00 178.44 176.18 3hab h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.91 -2.23 114.58 116.01 3hab h GLU 660 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hab h GLU 660 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hab h GLU 660 CO 0.02 0.00 -0.64 1.88 -1.00 0.00 0.00 179.01 179.27 3hab h TYR 661 N 0.00 0.00 -2.41 4.33 0.05 -1.50 -3.31 116.97 114.13 3hab h TYR 661 Ca 0.00 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 3hab h TYR 661 Cb 0.08 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.88 3hab h TYR 661 CO 0.00 0.00 -0.01 -0.47 -1.05 0.00 0.00 178.16 176.63 3hab s TYR 662 N -3.20 2.58 0.55 4.88 5.04 -0.84 -4.82 117.35 121.55 3hab s TYR 662 Ca 0.05 -0.08 -0.17 0.00 -2.44 0.00 0.00 57.07 54.44 3hab s TYR 662 Cb 0.12 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.59 3hab s TYR 662 CO 0.73 -1.05 1.04 0.16 -1.34 0.00 0.00 175.55 175.09 3hab s ASP 663 N -4.49 6.06 0.09 4.32 1.47 -1.26 -0.96 116.67 121.90 3hab s ASP 663 Ca 0.59 1.80 -0.23 0.00 1.18 0.00 0.00 52.55 55.89 3hab s ASP 663 Cb -0.09 -2.53 -0.14 0.00 -0.34 0.00 0.00 42.92 39.81 3hab s ASP 663 CO 0.40 -0.98 1.73 0.77 0.68 0.00 0.00 175.17 177.77 3hab h SER 664 N 0.78 -0.07 0.12 2.11 4.64 -0.97 -2.07 113.55 118.09 3hab h SER 664 Ca -0.47 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hab h SER 664 Cb 1.21 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hab h SER 664 CO 0.58 -0.04 -0.08 0.58 -0.87 0.00 0.00 176.83 177.00 3hab h VAL 665 N -0.06 0.83 0.34 0.95 2.07 -1.93 0.95 116.25 119.40 3hab h VAL 665 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3hab h VAL 665 Cb 0.06 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3hab h VAL 665 CO -0.02 0.00 -0.16 0.22 0.02 0.00 0.00 177.57 177.63 3hab h TYR 666 N -0.19 -0.42 0.09 1.57 5.03 -1.92 -3.17 116.97 117.96 3hab h TYR 666 Ca -0.01 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 3hab h TYR 666 Cb 0.17 0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.59 3hab h TYR 666 CO -0.09 -0.11 -0.04 1.15 -1.32 0.00 0.00 178.16 177.75 3hab h THR 667 N -0.74 0.96 0.00 1.81 2.02 -1.23 -2.82 112.91 112.90 3hab h THR 667 Ca -0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3hab h THR 667 Cb 0.50 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3hab h THR 667 CO 0.08 0.04 -0.13 -0.33 0.37 0.00 0.00 175.52 175.55 3hab h GLU 668 N -0.20 0.00 -0.85 6.66 5.08 -0.97 0.71 114.58 125.01 3hab h GLU 668 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3hab h GLU 668 Cb 0.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3hab h GLU 668 CO 0.02 0.13 0.50 -0.09 -1.00 0.00 0.00 179.01 178.57 3hab h ARG 669 N 0.00 0.83 0.00 2.33 2.43 -1.46 -0.06 114.38 118.45 3hab h ARG 669 Ca -0.00 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.87 3hab h ARG 669 Cb 0.38 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3hab h ARG 669 CO 0.02 0.55 -2.04 0.66 -1.51 0.00 0.00 179.97 177.64 3hab n TYR 670 N -4.70 0.30 0.42 2.20 4.01 -0.94 -4.57 117.16 113.88 3hab n TYR 670 Ca 0.14 0.10 0.04 0.00 -0.16 0.00 0.00 57.90 58.02 3hab n TYR 670 Cb 0.26 -0.93 -0.04 0.00 -0.31 0.00 0.00 39.34 38.31 3hab n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3hab n MET 671 N -2.71 3.78 0.00 -0.72 2.81 0.20 0.13 117.12 120.62 3hab n MET 671 Ca -0.21 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.60 3hab n MET 671 Cb 0.96 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 3hab n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hab n GLY 672 N 1.16 0.70 3.87 3.03 0.00 -0.05 -4.64 105.19 109.26 3hab n GLY 672 Ca 0.02 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3hab n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hab s LEU 673 N 0.00 4.39 -1.53 0.99 1.43 -1.26 -4.26 118.68 118.43 3hab s LEU 673 Ca 0.00 0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 53.68 3hab s LEU 673 Cb 0.00 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3hab s LEU 673 CO 0.00 0.28 2.72 -0.81 0.23 0.00 0.00 176.35 178.77 3hab n PRO 674 N 1.35 3.79 -4.40 1.29 -0.04 -1.26 -1.01 135.00 134.71 3hab n PRO 674 Ca -0.12 -2.56 -0.28 0.00 -0.04 0.00 0.00 63.50 60.50 3hab n PRO 674 Cb 0.53 -2.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.04 3hab n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hab s THR 675 N 1.54 2.28 0.40 0.52 -4.23 -1.26 -4.65 115.64 110.24 3hab s THR 675 Ca 0.63 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 59.40 3hab s THR 675 Cb 0.17 -2.04 0.36 0.00 1.34 0.00 0.00 72.50 72.33 3hab s THR 675 CO -0.07 -0.02 1.87 -0.65 -0.54 0.00 0.00 174.62 175.21 3hab h PRO 676 N 3.55 0.47 0.00 3.99 0.11 -1.96 -1.04 132.00 137.12 3hab h PRO 676 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hab h PRO 676 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hab h PRO 676 CO 0.43 0.31 0.00 0.93 -0.21 0.00 0.00 178.00 179.47 3hab h GLU 677 N 0.49 0.00 0.00 1.05 3.07 -1.96 -3.43 114.58 113.80 3hab h GLU 677 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3hab h GLU 677 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 3hab h GLU 677 CO -0.18 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 173.96 3hab n ASP 678 N -3.07 0.00 -0.54 1.42 -0.08 -0.51 -5.02 116.55 108.75 3hab n ASP 678 Ca 0.02 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.34 3hab n ASP 678 Cb 0.39 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.92 3hab n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hab n ASN 679 N 0.00 1.08 -0.24 1.67 5.15 -0.18 -4.87 115.26 117.85 3hab n ASN 679 Ca 0.00 -2.56 0.03 0.00 -0.60 0.00 0.00 54.58 51.46 3hab n ASN 679 Cb 0.00 -0.32 0.16 0.00 -0.53 0.00 0.00 39.78 39.08 3hab n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3hab h LEU 680 N 0.28 0.33 -0.73 1.20 5.85 -1.32 -2.13 115.31 118.79 3hab h LEU 680 Ca -0.04 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3hab h LEU 680 Cb 1.31 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 3hab h LEU 680 CO 0.02 0.16 0.36 0.44 -0.34 0.00 0.00 178.44 179.08 3hab h ASP 681 N 0.49 0.46 0.76 1.25 3.32 -1.89 -1.15 116.42 119.66 3hab h ASP 681 Ca 0.38 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.33 3hab h ASP 681 Cb 0.50 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3hab h ASP 681 CO -0.34 0.25 -0.75 -0.74 -1.72 0.00 0.00 179.24 175.94 3hab h HIS 682 N 0.60 0.00 -0.87 4.55 2.76 -1.76 -2.09 115.15 118.34 3hab h HIS 682 Ca 0.36 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.61 3hab h HIS 682 Cb 0.41 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 3hab h HIS 682 CO -0.11 0.75 0.53 1.88 -1.30 0.00 0.00 177.93 179.68 3hab h TYR 683 N 0.00 0.97 0.00 5.26 0.05 -0.86 -2.89 116.97 119.50 3hab h TYR 683 Ca -0.01 0.03 -0.18 0.00 0.05 0.00 0.00 58.73 58.62 3hab h TYR 683 Cb 1.34 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 3hab h TYR 683 CO 0.00 0.46 -0.85 0.00 -1.05 0.00 0.00 178.16 176.72 3hab h ARG 684 N 0.93 0.05 -0.66 4.88 2.47 -0.93 -3.27 114.38 117.84 3hab h ARG 684 Ca 0.39 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 3hab h ARG 684 Cb 0.25 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3hab h ARG 684 CO -0.20 0.86 0.00 0.27 0.56 0.00 0.00 179.97 181.46 3hab n ASN 685 N -3.57 4.29 -1.28 7.04 0.23 -0.81 -4.23 115.26 116.92 3hab n ASN 685 Ca -0.01 -2.23 -0.04 0.00 -0.53 0.00 0.00 54.58 51.76 3hab n ASN 685 Cb 0.80 -0.52 0.21 0.00 -2.08 0.00 0.00 39.78 38.20 3hab n ASN 685 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hab n SER 686 N 1.29 2.99 -4.91 0.53 3.41 -1.09 -5.01 113.62 110.83 3hab n SER 686 Ca 0.24 -3.59 -0.29 0.00 -0.26 0.00 0.00 58.87 54.98 3hab n SER 686 Cb 0.74 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3hab n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hab s THR 687 N -3.17 5.10 0.13 6.66 -4.23 -1.26 -4.76 115.64 114.11 3hab s THR 687 Ca 0.46 -0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 3hab s THR 687 Cb 0.40 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 3hab s THR 687 CO 0.03 -0.21 1.58 0.58 -0.54 0.00 0.00 174.62 176.06 3hab h VAL 688 N 1.54 1.26 -0.98 2.29 2.07 -1.22 -3.30 116.25 117.92 3hab h VAL 688 Ca -0.47 -1.03 0.17 0.00 0.82 0.00 0.00 66.70 66.18 3hab h VAL 688 Cb 1.19 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.96 3hab h VAL 688 CO 0.68 0.35 0.61 0.24 0.02 0.00 0.00 177.57 179.47 3hab h MET 689 N 0.58 0.74 0.00 1.57 2.86 -1.91 -0.49 114.93 118.28 3hab h MET 689 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3hab h MET 689 Cb 0.49 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3hab h MET 689 CO 0.02 0.49 0.00 0.66 1.06 0.00 0.00 176.91 179.14 3hab h SER 690 N 0.76 0.00 -0.40 1.22 4.64 -1.93 -2.55 113.55 115.29 3hab h SER 690 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3hab h SER 690 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hab h SER 690 CO -0.31 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.19 3hab n ARG 691 N -2.47 2.42 -0.24 4.77 1.74 -0.19 -4.69 116.66 117.99 3hab n ARG 691 Ca 0.00 -2.15 0.04 0.00 -0.77 0.00 0.00 57.85 54.97 3hab n ARG 691 Cb 0.17 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.26 3hab n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hab h ALA 692 N 4.42 0.76 -0.86 7.54 0.00 -1.51 -0.74 119.26 128.87 3hab h ALA 692 Ca 0.00 0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.26 3hab h ALA 692 Cb 0.91 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 3hab h ALA 692 CO 0.00 -0.40 0.56 1.49 0.00 0.00 0.00 179.25 180.90 3hab h GLU 693 N 0.13 0.64 0.00 0.00 4.57 -1.86 -1.45 114.58 116.61 3hab h GLU 693 Ca 0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 3hab h GLU 693 Cb 0.67 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3hab h GLU 693 CO -0.60 0.42 0.00 0.09 -1.18 0.00 0.00 179.01 177.74 3hab n ASN 694 N -4.54 0.28 0.00 1.04 5.03 -0.28 -2.46 115.26 114.32 3hab n ASN 694 Ca 0.17 0.57 0.11 0.00 0.87 0.00 0.00 54.58 56.29 3hab n ASN 694 Cb 0.46 -0.63 0.52 0.00 -1.02 0.00 0.00 39.78 39.11 3hab n ASN 694 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3hab n PHE 695 N -1.81 0.00 0.19 3.10 3.72 -0.55 -3.88 117.46 118.23 3hab n PHE 695 Ca 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 3hab n PHE 695 Cb 0.20 -0.40 0.71 0.00 -0.94 0.00 0.00 39.48 39.05 3hab n PHE 695 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hab h LYS 696 N 0.00 0.00 -0.46 -1.08 3.64 -1.67 -2.47 116.57 114.53 3hab h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hab h LYS 696 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3hab h LYS 696 CO 0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 3hab n GLN 697 N -4.32 3.47 -4.26 1.90 6.02 -1.25 -4.96 117.38 113.97 3hab n GLN 697 Ca 0.01 -2.75 -0.17 0.00 -0.01 0.00 0.00 57.00 54.08 3hab n GLN 697 Cb 0.25 -1.81 -0.11 0.00 1.02 0.00 0.00 30.24 29.60 3hab n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hab s VAL 698 N -2.11 1.35 -0.22 5.09 -7.23 -0.93 -4.93 120.40 111.41 3hab s VAL 698 Ca 0.43 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.57 3hab s VAL 698 Cb 0.30 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 3hab s VAL 698 CO 0.17 -0.53 0.37 -1.61 -0.31 0.00 0.00 175.10 173.19 3hab s GLU 699 N -3.10 4.12 -0.05 4.82 2.02 -0.68 -4.99 118.70 120.84 3hab s GLU 699 Ca 0.13 0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.28 3hab s GLU 699 Cb -0.02 -3.57 -0.00 0.00 0.10 0.00 0.00 34.13 30.63 3hab s GLU 699 CO 0.03 -0.09 -0.19 -0.47 0.02 0.00 0.00 175.26 174.55 3hab s TYR 700 N 1.49 1.95 -0.19 1.61 5.04 -1.26 -0.49 117.35 125.50 3hab s TYR 700 Ca 0.17 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.20 3hab s TYR 700 Cb -0.15 -1.31 0.02 0.00 0.35 0.00 0.00 41.96 40.87 3hab s TYR 700 CO 0.08 -0.21 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.74 3hab s LEU 701 N 0.05 2.24 -0.17 6.97 2.96 -0.25 -0.73 118.68 129.75 3hab s LEU 701 Ca -0.06 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 3hab s LEU 701 Cb -0.13 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 3hab s LEU 701 CO 0.03 -0.00 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.74 3hab s LEU 702 N 1.32 2.75 0.01 -0.68 2.96 -0.13 -1.22 118.68 123.68 3hab s LEU 702 Ca 0.05 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3hab s LEU 702 Cb -0.13 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3hab s LEU 702 CO -0.11 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.28 3hab s ILE 703 N 0.83 0.68 -0.28 6.68 1.01 -0.51 -1.31 121.20 128.30 3hab s ILE 703 Ca -0.03 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3hab s ILE 703 Cb -0.15 -0.60 0.10 0.00 0.01 0.00 0.00 42.46 41.82 3hab s ILE 703 CO 0.01 0.08 0.88 -2.28 0.00 0.00 0.00 174.94 173.62 3hab s HIS 704 N -0.44 -0.67 0.24 3.97 2.46 -0.96 -0.20 115.29 119.69 3hab s HIS 704 Ca 0.01 1.53 -0.30 0.00 0.47 0.00 0.00 55.06 56.77 3hab s HIS 704 Cb -0.05 0.38 -0.09 0.00 -0.13 0.00 0.00 32.58 32.69 3hab s HIS 704 CO 0.00 -0.33 0.97 0.20 -2.47 0.00 0.00 174.74 173.12 3hab s GLY 705 N 0.67 3.10 0.49 1.59 0.00 -1.26 -1.69 107.32 110.21 3hab s GLY 705 Ca -0.02 0.67 0.29 0.00 0.00 0.00 0.00 44.72 45.66 3hab s GLY 705 CO -0.08 1.27 1.85 -0.91 0.00 0.00 0.00 173.10 175.24 3hab h THR 706 N 3.22 0.16 -0.79 0.90 1.35 -0.96 -3.00 112.91 113.79 3hab h THR 706 Ca -0.45 -0.82 -0.40 0.00 -0.55 0.00 0.00 66.41 64.19 3hab h THR 706 Cb 1.20 1.71 -0.24 0.00 -1.73 0.00 0.00 68.15 69.09 3hab h THR 706 CO 0.68 0.07 0.42 0.00 -0.25 0.00 0.00 175.52 176.44 3hab n ALA 707 N -2.13 5.17 -2.10 6.62 0.00 -0.57 -4.73 120.51 122.77 3hab n ALA 707 Ca 0.01 -2.95 -0.41 0.00 0.00 0.00 0.00 53.44 50.09 3hab n ALA 707 Cb 0.40 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3hab n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hab s ASP 708 N -1.66 5.76 0.09 0.00 -1.08 -1.13 -4.29 116.67 114.36 3hab s ASP 708 Ca 0.53 0.80 0.28 0.00 -0.52 0.00 0.00 52.55 53.64 3hab s ASP 708 Cb 0.46 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.43 3hab s ASP 708 CO 0.08 -1.90 1.85 -0.90 0.52 0.00 0.00 175.17 174.82 3hab n ASP 709 N 10.86 0.35 0.00 -0.34 5.75 -1.26 -3.99 116.55 127.91 3hab n ASP 709 Ca 0.20 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.50 3hab n ASP 709 Cb 0.49 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3hab n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3hab n ASN 710 N -1.82 0.00 -4.38 -1.12 2.85 -1.26 -4.77 115.26 104.76 3hab n ASN 710 Ca 0.06 0.01 -0.45 0.00 -0.11 0.00 0.00 54.58 54.10 3hab n ASN 710 Cb 0.38 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.86 3hab n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3hab s VAL 711 N -0.95 5.03 0.49 3.44 1.01 -1.26 -4.82 120.40 123.33 3hab s VAL 711 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 3hab s VAL 711 Cb 0.00 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3hab s VAL 711 CO 0.00 -0.84 1.32 -1.00 0.00 0.00 0.00 175.10 174.58 3hab s HIS 712 N 2.17 2.52 0.31 5.22 3.76 -1.26 -4.69 115.29 123.31 3hab s HIS 712 Ca 0.09 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.47 3hab s HIS 712 Cb -0.24 -3.71 0.82 0.00 1.11 0.00 0.00 32.58 30.56 3hab s HIS 712 CO 0.07 -2.49 1.72 0.35 -0.85 0.00 0.00 174.74 173.55 3hab h PHE 713 N 1.91 0.90 -0.31 1.40 3.57 -1.80 0.77 116.94 123.38 3hab h PHE 713 Ca -0.50 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.12 3hab h PHE 713 Cb 1.27 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 3hab h PHE 713 CO 0.49 0.04 -0.00 0.94 -2.23 0.00 0.00 178.31 177.55 3hab n GLN 714 N -4.93 -0.03 -0.08 1.11 7.27 -1.26 -1.16 117.38 118.30 3hab n GLN 714 Ca 0.25 0.47 -0.10 0.00 0.07 0.00 0.00 57.00 57.69 3hab n GLN 714 Cb 0.70 -0.74 -0.03 0.00 2.41 0.00 0.00 30.24 32.58 3hab n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3hab h GLN 715 N 0.00 0.39 -0.16 3.69 4.20 -1.14 -0.26 115.11 121.82 3hab h GLN 715 Ca 0.19 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 3hab h GLN 715 Cb 0.37 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3hab h GLN 715 CO -0.30 0.38 -0.54 0.77 -0.67 0.00 0.00 178.83 178.48 3hab h SER 716 N 0.30 0.53 -0.94 1.46 0.02 -1.31 -2.79 113.55 110.83 3hab h SER 716 Ca 0.09 -0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3hab h SER 716 Cb 0.12 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 3hab h SER 716 CO -0.01 0.96 0.61 0.00 -1.14 0.00 0.00 176.83 177.25 3hab h ALA 717 N 1.05 1.46 -0.08 3.77 0.00 -0.80 -0.73 119.26 123.94 3hab h ALA 717 Ca 0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3hab h ALA 717 Cb 1.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hab h ALA 717 CO 0.10 0.40 -0.69 1.96 0.00 0.00 0.00 179.25 181.02 3hab h GLN 718 N 1.09 0.35 0.31 0.00 1.08 -1.01 -2.55 115.11 114.39 3hab h GLN 718 Ca 0.40 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 3hab h GLN 718 Cb 0.16 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3hab h GLN 718 CO -0.15 0.91 -0.15 0.82 -0.95 0.00 0.00 178.83 179.31 3hab h ILE 719 N 0.24 0.71 -0.80 2.54 2.04 -1.14 -2.23 117.51 118.87 3hab h ILE 719 Ca -0.02 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3hab h ILE 719 Cb 1.25 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3hab h ILE 719 CO 0.11 0.03 0.53 0.77 0.00 0.00 0.00 178.15 179.59 3hab h SER 720 N -0.48 0.89 -0.74 1.72 4.64 -1.19 -1.92 113.55 116.48 3hab h SER 720 Ca -0.04 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3hab h SER 720 Cb 0.36 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 3hab h SER 720 CO 0.07 0.64 0.43 0.50 -0.87 0.00 0.00 176.83 177.59 3hab h LYS 721 N 1.05 1.02 -0.76 4.77 3.64 -1.44 -0.76 116.57 124.09 3hab h LYS 721 Ca 0.31 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3hab h LYS 721 Cb -0.07 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.51 3hab h LYS 721 CO -0.08 0.74 0.39 0.00 -2.27 0.00 0.00 179.45 178.23 3hab h ALA 722 N 1.22 0.98 -0.41 5.00 0.00 -0.88 -0.68 119.26 124.50 3hab h ALA 722 Ca 0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hab h ALA 722 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3hab h ALA 722 CO -0.05 0.52 -0.10 -0.07 0.00 0.00 0.00 179.25 179.56 3hab h LEU 723 N 1.06 0.80 -0.46 0.00 3.38 -1.10 -2.67 115.31 116.32 3hab h LEU 723 Ca 0.26 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hab h LEU 723 Cb 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3hab h LEU 723 CO -0.04 0.97 0.14 0.58 0.09 0.00 0.00 178.44 180.18 3hab h VAL 724 N 0.61 0.82 0.00 1.22 2.07 -1.03 0.29 116.25 120.23 3hab h VAL 724 Ca 0.10 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3hab h VAL 724 Cb 0.62 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3hab h VAL 724 CO 0.04 0.05 -0.07 0.44 0.02 0.00 0.00 177.57 178.05 3hab h ASP 725 N 0.29 0.00 -0.42 0.57 3.32 -0.95 -1.31 116.42 117.93 3hab h ASP 725 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3hab h ASP 725 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hab h ASP 725 CO -0.25 0.07 0.00 1.33 -1.72 0.00 0.00 179.24 178.68 3hab n VAL 726 N -4.18 0.60 -3.07 -1.35 0.24 -1.02 -4.99 118.33 104.56 3hab n VAL 726 Ca -0.03 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.35 3hab n VAL 726 Cb 0.15 0.88 0.04 0.00 -1.47 0.00 0.00 33.84 33.45 3hab n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hab n GLY 727 N 1.37 0.13 3.66 7.63 0.00 -0.50 -4.99 105.19 112.50 3hab n GLY 727 Ca 0.19 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hab n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hab s VAL 728 N -3.17 5.13 0.33 1.61 1.01 -0.01 -5.03 120.40 120.26 3hab s VAL 728 Ca 0.30 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 3hab s VAL 728 Cb -0.13 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 3hab s VAL 728 CO 0.39 0.41 0.89 -0.62 0.00 0.00 0.00 175.10 176.18 3hab s ASP 729 N 0.69 7.18 0.31 3.32 2.15 -1.26 -4.40 116.67 124.65 3hab s ASP 729 Ca 0.06 1.70 -0.19 0.00 0.43 0.00 0.00 52.55 54.56 3hab s ASP 729 Cb -0.13 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3hab s ASP 729 CO 0.01 -0.11 0.72 0.72 -0.17 0.00 0.00 175.17 176.34 3hab s PHE 730 N -1.73 -0.06 0.00 -5.34 -0.12 -1.26 -4.76 117.98 104.72 3hab s PHE 730 Ca 0.51 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 3hab s PHE 730 Cb -0.16 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3hab s PHE 730 CO 0.21 -1.31 0.06 -0.65 -0.05 0.00 0.00 175.22 173.48 3hab s GLN 731 N -3.50 2.98 0.04 1.99 -1.52 0.10 -5.02 119.66 114.72 3hab s GLN 731 Ca 0.13 -0.53 0.00 0.00 -1.95 0.00 0.00 55.36 53.01 3hab s GLN 731 Cb -0.05 -2.80 -0.03 0.00 -0.22 0.00 0.00 33.01 29.91 3hab s GLN 731 CO 0.08 0.64 -0.04 0.00 -0.25 0.00 0.00 175.29 175.72 3hab s ALA 732 N -1.18 0.34 -0.17 6.09 0.00 -1.26 -0.95 121.76 124.62 3hab s ALA 732 Ca 0.23 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 3hab s ALA 732 Cb -0.12 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.23 3hab s ALA 732 CO 0.14 -0.19 0.39 1.41 0.00 0.00 0.00 175.76 177.51 3hab s MET 733 N -2.18 0.34 0.13 0.00 1.75 -0.43 -4.93 119.30 113.98 3hab s MET 733 Ca -0.08 0.87 0.02 0.00 -1.25 0.00 0.00 55.69 55.25 3hab s MET 733 Cb -0.05 0.10 -0.04 0.00 2.84 0.00 0.00 34.83 37.69 3hab s MET 733 CO -0.03 -0.20 0.27 1.67 -0.65 0.00 0.00 175.02 176.08 3hab s TRP 734 N 1.93 3.49 -0.27 4.11 -2.14 -1.26 -2.26 118.94 122.55 3hab s TRP 734 Ca -0.06 0.14 0.03 0.00 2.66 0.00 0.00 56.10 58.87 3hab s TRP 734 Cb -0.10 -1.68 0.07 0.00 -3.10 0.00 0.00 33.47 28.65 3hab s TRP 734 CO -0.12 0.53 -0.06 0.71 -2.66 0.00 0.00 176.95 175.34 3hab s TYR 735 N -1.70 3.10 0.09 1.66 1.51 -0.68 -4.93 117.35 116.41 3hab s TYR 735 Ca 0.35 -2.29 -0.31 0.00 -1.01 0.00 0.00 57.07 53.81 3hab s TYR 735 Cb -0.11 -2.01 -0.10 0.00 -0.11 0.00 0.00 41.96 39.62 3hab s TYR 735 CO 0.28 -0.87 1.89 2.41 -1.11 0.00 0.00 175.55 178.16 3hab n THR 736 N 4.47 0.51 -1.05 -0.71 -1.04 -1.26 -0.87 114.28 114.33 3hab n THR 736 Ca -0.10 -0.09 -0.02 0.00 -2.04 0.00 0.00 64.05 61.80 3hab n THR 736 Cb 0.42 -2.20 -0.01 0.00 -1.82 0.00 0.00 70.33 66.72 3hab n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hab n ASP 737 N 6.33 -4.69 -4.86 8.00 8.00 -1.26 -4.87 116.55 123.20 3hab n ASP 737 Ca 0.19 0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 3hab n ASP 737 Cb 0.39 -2.34 -0.06 0.00 -0.02 0.00 0.00 41.12 39.09 3hab n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hab s GLU 738 N -1.42 3.92 0.00 -1.24 0.41 -1.07 -4.65 118.70 114.65 3hab s GLU 738 Ca 0.00 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 55.02 3hab s GLU 738 Cb 0.00 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 3hab s GLU 738 CO 0.00 0.30 0.00 -0.40 -0.49 0.00 0.00 175.26 174.67 3hab n ASP 739 N 0.01 0.04 0.27 -0.19 5.68 -1.26 -1.52 116.55 119.59 3hab n ASP 739 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 3hab n ASP 739 Cb 0.52 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.26 3hab n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3hab h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.92 -2.33 115.15 113.01 3hab h HIS 740 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 3hab h HIS 740 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3hab h HIS 740 CO 0.00 0.08 -0.36 0.78 -0.00 0.00 0.00 177.93 178.43 3hab h GLY 741 N 0.48 0.00 -6.98 5.26 0.00 -1.99 -3.48 103.07 96.36 3hab h GLY 741 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3hab h GLY 741 CO 0.01 0.00 -0.90 1.39 0.00 0.00 0.00 176.54 177.04 3hab n ILE 742 N -3.05 -1.89 0.20 2.60 5.41 -0.88 -4.86 119.36 116.90 3hab n ILE 742 Ca 0.02 -0.51 0.02 0.00 1.00 0.00 0.00 62.75 63.29 3hab n ILE 742 Cb 0.60 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 3hab n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hab n ALA 743 N -4.55 2.52 -1.58 -1.39 0.00 -1.26 -3.68 120.51 110.56 3hab n ALA 743 Ca -0.16 -0.36 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 3hab n ALA 743 Cb 0.54 -0.16 0.07 0.00 0.00 0.00 0.00 19.45 19.90 3hab n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hab n SER 744 N -0.31 0.97 -0.12 0.00 3.41 -1.26 -4.72 113.62 111.59 3hab n SER 744 Ca 0.02 0.77 -0.05 0.00 -0.26 0.00 0.00 58.87 59.36 3hab n SER 744 Cb 0.10 -1.43 0.03 0.00 -0.26 0.00 0.00 64.21 62.65 3hab n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3hab h SER 745 N 0.29 -0.12 -0.23 4.04 0.87 -1.99 0.13 113.55 116.55 3hab h SER 745 Ca -0.49 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 3hab h SER 745 Cb 1.35 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.46 3hab h SER 745 CO 0.50 -0.02 -0.23 0.71 -0.53 0.00 0.00 176.83 177.26 3hab h THR 746 N 0.13 1.32 -0.49 2.23 1.35 -1.98 -2.61 112.91 112.86 3hab h THR 746 Ca 0.19 -1.39 -0.10 0.00 -0.55 0.00 0.00 66.41 64.57 3hab h THR 746 Cb 0.27 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 3hab h THR 746 CO -0.31 0.43 -0.08 0.00 -0.25 0.00 0.00 175.52 175.31 3hab h ALA 747 N 0.66 0.94 -0.22 6.62 0.00 -1.86 -0.94 119.26 124.46 3hab h ALA 747 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3hab h ALA 747 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hab h ALA 747 CO 0.06 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.31 3hab h HIS 748 N 0.79 0.24 -0.66 0.00 2.76 -0.98 0.75 115.15 118.06 3hab h HIS 748 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3hab h HIS 748 Cb 0.59 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 3hab h HIS 748 CO 0.03 0.14 0.27 1.96 -1.30 0.00 0.00 177.93 179.04 3hab h GLN 749 N 0.26 0.97 -0.23 5.26 4.20 -1.32 -2.82 115.11 121.44 3hab h GLN 749 Ca 0.09 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3hab h GLN 749 Cb -0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3hab h GLN 749 CO -0.04 0.81 0.09 1.25 -0.67 0.00 0.00 178.83 180.26 3hab h HIS 750 N 0.92 0.35 -0.42 2.96 2.76 -0.79 -1.16 115.15 119.77 3hab h HIS 750 Ca 0.22 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3hab h HIS 750 Cb 0.19 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 3hab h HIS 750 CO 0.01 0.39 0.18 0.97 -1.30 0.00 0.00 177.93 178.18 3hab h ILE 751 N 0.22 1.19 -0.03 6.26 2.10 -0.87 -0.76 117.51 125.62 3hab h ILE 751 Ca 0.08 -0.57 -0.11 0.00 1.08 0.00 0.00 64.86 65.33 3hab h ILE 751 Cb 0.19 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 36.70 3hab h ILE 751 CO -0.01 0.21 -0.51 1.88 -1.08 0.00 0.00 178.15 178.64 3hab h TYR 752 N 0.53 0.09 -0.25 2.19 0.05 -1.48 -0.25 116.97 117.84 3hab h TYR 752 Ca 0.14 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 3hab h TYR 752 Cb 0.16 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3hab h TYR 752 CO -0.00 0.57 0.08 1.15 -1.05 0.00 0.00 178.16 178.91 3hab h THR 753 N 0.06 1.19 -0.39 -2.88 2.02 -1.04 -1.67 112.91 110.20 3hab h THR 753 Ca -0.00 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 3hab h THR 753 Cb 0.93 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3hab h THR 753 CO 0.07 0.20 -0.05 -0.74 0.37 0.00 0.00 175.52 175.37 3hab h HIS 754 N 0.25 0.79 -0.71 3.16 -0.00 -0.84 -2.40 115.15 115.39 3hab h HIS 754 Ca 0.08 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 3hab h HIS 754 Cb 0.23 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 3hab h HIS 754 CO 0.00 0.83 0.24 0.52 -0.00 0.00 0.00 177.93 179.51 3hab h MET 755 N 0.53 1.08 -0.68 5.26 2.07 -1.09 -2.35 114.93 119.76 3hab h MET 755 Ca 0.10 -0.22 -0.04 0.00 -2.07 0.00 0.00 59.70 57.48 3hab h MET 755 Cb 0.54 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 3hab h MET 755 CO 0.03 0.91 0.28 0.77 1.07 0.00 0.00 176.91 179.97 3hab h SER 756 N 1.05 0.93 -0.68 1.22 0.02 -1.12 -0.92 113.55 114.04 3hab h SER 756 Ca 0.23 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3hab h SER 756 Cb 0.27 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3hab h SER 756 CO -0.01 0.84 0.36 0.45 -1.14 0.00 0.00 176.83 177.33 3hab h HIS 757 N 0.96 0.95 -0.03 3.45 3.86 -1.27 -1.65 115.15 121.41 3hab h HIS 757 Ca 0.23 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3hab h HIS 757 Cb 0.20 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3hab h HIS 757 CO 0.01 0.69 0.01 0.35 0.86 0.00 0.00 177.93 179.85 3hab h PHE 758 N 0.93 0.04 -0.14 2.45 3.57 -1.06 -0.31 116.94 122.43 3hab h PHE 758 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3hab h PHE 758 Cb 0.07 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3hab h PHE 758 CO -0.00 0.16 0.07 0.82 -2.23 0.00 0.00 178.31 177.12 3hab h ILE 759 N -0.09 1.13 -0.42 1.41 1.08 -1.16 -0.53 117.51 118.93 3hab h ILE 759 Ca 0.01 -0.37 0.03 0.00 -0.39 0.00 0.00 64.86 64.14 3hab h ILE 759 Cb 0.14 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 3hab h ILE 759 CO -0.00 0.12 0.23 0.11 -0.69 0.00 0.00 178.15 177.91 3hab h LYS 760 N 0.09 0.45 -0.25 2.37 1.57 -1.25 -0.20 116.57 119.35 3hab h LYS 760 Ca 0.05 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3hab h LYS 760 Cb 0.13 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3hab h LYS 760 CO -0.01 0.30 -0.01 0.37 -0.57 0.00 0.00 179.45 179.53 3hab h GLN 761 N 0.46 0.06 -0.97 3.15 -0.00 -0.97 0.24 115.11 117.09 3hab h GLN 761 Ca 0.18 -0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.90 3hab h GLN 761 Cb 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 27.48 27.45 3hab h GLN 761 CO -0.10 0.04 0.61 0.00 0.00 0.00 0.00 178.83 179.38 3hab n PHE 763 N -4.56 0.48 -3.39 0.00 3.72 -0.14 -4.94 117.46 108.63 3hab n PHE 763 Ca 0.15 -0.24 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 3hab n PHE 763 Cb 0.21 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.80 3hab n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hab n SER 764 N 0.78 -5.97 -4.71 4.37 7.64 -0.43 -4.99 113.62 110.31 3hab n SER 764 Ca 0.16 -0.46 -0.36 0.00 1.01 0.00 0.00 58.87 59.22 3hab n SER 764 Cb 0.40 -4.76 -0.08 0.00 -1.01 0.00 0.00 64.21 58.76 3hab n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hab s LEU 765 N -7.02 4.21 0.00 -3.43 1.43 0.72 -5.02 118.68 109.57 3hab s LEU 765 Ca 0.47 0.38 0.10 0.00 -1.03 0.00 0.00 54.13 54.06 3hab s LEU 765 Cb -0.22 -2.28 0.59 0.00 0.03 0.00 0.00 46.19 44.32 3hab s LEU 765 CO 0.59 0.10 1.04 -0.81 0.23 0.00 0.00 176.35 177.49