#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iiv n ARG 40 N 0.00 -4.81 -1.50 1.09 1.74 -1.26 -4.98 116.66 106.94 2iiv n ARG 40 Ca 0.00 3.41 -0.30 0.00 -0.77 0.00 0.00 57.85 60.19 2iiv n ARG 40 Cb 0.00 -3.91 0.22 0.00 -1.02 0.00 0.00 32.46 27.74 2iiv n ARG 40 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2iiv s LYS 41 N -0.47 -0.39 0.51 5.56 0.00 -1.24 -4.68 119.74 119.03 2iiv s LYS 41 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 55.97 55.75 2iiv s LYS 41 Cb 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 37.83 36.13 2iiv s LYS 41 CO 0.00 -3.12 0.26 0.95 0.00 0.00 0.00 175.35 173.44 2iiv s THR 42 N -3.45 1.66 -0.48 3.79 -4.23 -1.26 -1.09 115.64 110.58 2iiv s THR 42 Ca 0.73 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 2iiv s THR 42 Cb -0.06 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.50 2iiv s THR 42 CO 0.55 0.00 0.85 -0.47 -0.54 0.00 0.00 174.62 175.01 2iiv s TYR 43 N -2.76 2.93 0.72 3.99 5.04 -1.26 -4.83 117.35 121.18 2iiv s TYR 43 Ca 0.28 0.14 -0.04 0.00 -2.44 0.00 0.00 57.07 55.01 2iiv s TYR 43 Cb -0.00 -3.83 0.10 0.00 0.35 0.00 0.00 41.96 38.58 2iiv s TYR 43 CO 0.17 -1.11 1.01 0.95 -1.34 0.00 0.00 175.55 175.23 2iiv s THR 44 N 3.54 2.24 0.23 4.34 -4.23 -1.26 -3.95 115.64 116.54 2iiv s THR 44 Ca 0.31 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 2iiv s THR 44 Cb -0.12 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 70.96 2iiv s THR 44 CO 0.22 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.20 2iiv h LEU 45 N -0.60 0.73 -0.86 4.79 5.85 -1.95 -2.17 115.31 121.10 2iiv h LEU 45 Ca -0.40 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 57.97 2iiv h LEU 45 Cb 1.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2iiv h LEU 45 CO 0.47 0.94 -0.11 0.74 -0.34 0.00 0.00 178.44 180.14 2iiv h THR 46 N 0.63 1.25 -0.91 1.05 2.02 -1.97 0.90 112.91 115.88 2iiv h THR 46 Ca 0.09 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2iiv h THR 46 Cb 0.72 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2iiv h THR 46 CO 0.06 0.39 0.51 0.44 0.37 0.00 0.00 175.52 177.28 2iiv h ASP 47 N 0.67 1.12 -0.08 4.18 3.45 -1.83 0.37 116.42 124.30 2iiv h ASP 47 Ca 0.12 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.45 2iiv h ASP 47 Cb 0.57 -0.29 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 2iiv h ASP 47 CO 0.04 0.89 -0.06 0.22 -1.57 0.00 0.00 179.24 178.75 2iiv h TYR 48 N 1.26 0.21 -0.07 4.55 3.20 -0.79 -1.42 116.97 123.91 2iiv h TYR 48 Ca 0.32 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 2iiv h TYR 48 Cb 0.01 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2iiv h TYR 48 CO 0.01 0.59 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.71 2iiv h LEU 49 N -0.23 0.14 -1.97 2.82 3.38 -0.54 -3.05 115.31 115.86 2iiv h LEU 49 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iiv h LEU 49 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2iiv h LEU 49 CO 0.02 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.32 2iiv n LYS 50 N -4.10 2.27 -3.74 1.13 4.76 0.13 -4.99 118.16 113.62 2iiv n LYS 50 Ca -0.01 -1.95 -0.24 0.00 -2.87 0.00 0.00 58.31 53.24 2iiv n LYS 50 Cb 0.41 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 2iiv n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2iiv n ASN 51 N 1.33 -3.06 0.11 4.39 3.02 -0.56 -4.88 115.26 115.62 2iiv n ASN 51 Ca 0.14 -0.76 0.03 0.00 -0.03 0.00 0.00 54.58 53.97 2iiv n ASN 51 Cb 0.58 -4.21 0.41 0.00 -0.61 0.00 0.00 39.78 35.96 2iiv n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2iiv h THR 52 N -2.04 1.15 -3.42 3.41 1.35 -1.78 -3.35 112.91 108.23 2iiv h THR 52 Ca -0.59 -0.62 -0.73 0.00 -0.55 0.00 0.00 66.41 63.92 2iiv h THR 52 Cb 1.36 1.07 -0.30 0.00 -1.73 0.00 0.00 68.15 68.55 2iiv h THR 52 CO 0.59 0.20 -0.31 -0.31 -0.25 0.00 0.00 175.52 175.44 2iiv s TYR 53 N -4.89 3.48 -0.16 4.73 2.02 -1.26 -5.07 117.35 116.20 2iiv s TYR 53 Ca -0.06 -2.06 -0.14 0.00 -0.37 0.00 0.00 57.07 54.44 2iiv s TYR 53 Cb 0.16 -3.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.18 2iiv s TYR 53 CO 0.73 -0.97 0.32 0.50 -1.57 0.00 0.00 175.55 174.56 2iiv s ARG 54 N 0.90 4.26 0.06 -0.62 6.06 -1.26 -5.05 118.95 123.30 2iiv s ARG 54 Ca 0.10 0.13 -0.30 0.00 -2.50 0.00 0.00 55.73 53.16 2iiv s ARG 54 Cb -0.23 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.30 2iiv s ARG 54 CO -0.03 0.21 1.09 -0.51 -2.50 0.00 0.00 175.30 173.56 2iiv s LEU 55 N 0.55 4.40 0.24 -0.88 1.02 -1.26 -4.82 118.68 117.93 2iiv s LEU 55 Ca 0.17 1.89 -0.13 0.00 0.02 0.00 0.00 54.13 56.08 2iiv s LEU 55 Cb -0.13 -3.58 -0.08 0.00 0.02 0.00 0.00 46.19 42.42 2iiv s LEU 55 CO 0.05 -0.33 0.63 -0.54 0.02 0.00 0.00 176.35 176.17 2iiv s LYS 56 N 0.75 3.95 0.49 1.70 1.02 -1.26 -5.08 119.74 121.31 2iiv s LYS 56 Ca 0.54 0.51 0.02 0.00 0.02 0.00 0.00 55.97 57.05 2iiv s LYS 56 Cb -0.26 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 2iiv s LYS 56 CO 0.30 0.31 0.05 -0.51 -0.92 0.00 0.00 175.35 174.57 2iiv s LEU 57 N -2.61 2.13 -0.45 3.17 1.02 -1.26 -4.87 118.68 115.81 2iiv s LEU 57 Ca 0.47 -1.71 0.05 0.00 0.02 0.00 0.00 54.13 52.96 2iiv s LEU 57 Cb -0.12 -0.48 0.18 0.00 0.02 0.00 0.00 46.19 45.78 2iiv s LEU 57 CO 0.20 -0.94 0.53 -0.47 0.02 0.00 0.00 176.35 175.68 2iiv s TYR 58 N -2.99 -0.52 -0.51 0.29 5.04 -1.26 -4.97 117.35 112.42 2iiv s TYR 58 Ca 0.08 -1.12 -0.20 0.00 -2.44 0.00 0.00 57.07 53.39 2iiv s TYR 58 Cb 0.01 -0.21 0.05 0.00 0.35 0.00 0.00 41.96 42.16 2iiv s TYR 58 CO 0.05 -1.07 0.70 -1.12 -1.34 0.00 0.00 175.55 172.77 2iiv s SER 59 N 0.79 6.26 0.31 4.32 0.01 -1.26 -5.04 113.70 119.08 2iiv s SER 59 Ca 0.27 -0.75 0.08 0.00 1.31 0.00 0.00 55.95 56.86 2iiv s SER 59 Cb -0.02 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2iiv s SER 59 CO -0.09 -0.96 0.22 -1.48 0.41 0.00 0.00 173.24 171.34 2iiv s LEU 60 N 2.95 3.59 -0.23 2.44 0.05 -1.26 -4.61 118.68 121.61 2iiv s LEU 60 Ca 0.19 -0.47 -0.00 0.00 0.05 0.00 0.00 54.13 53.90 2iiv s LEU 60 Cb -0.17 -2.16 0.06 0.00 -2.05 0.00 0.00 46.19 41.87 2iiv s LEU 60 CO 0.14 -0.23 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.56 2iiv s ARG 61 N -3.91 1.35 0.18 1.48 0.52 0.17 -4.92 118.95 113.81 2iiv s ARG 61 Ca 0.37 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 2iiv s ARG 61 Cb -0.06 -2.46 -0.10 0.00 0.52 0.00 0.00 34.95 32.85 2iiv s ARG 61 CO 0.25 -0.63 1.52 -1.58 0.02 0.00 0.00 175.30 174.88 2iiv s TRP 62 N 1.51 3.08 -0.45 -0.53 0.52 -1.26 -0.05 118.94 121.75 2iiv s TRP 62 Ca -0.04 0.75 0.05 0.00 0.02 0.00 0.00 56.10 56.88 2iiv s TRP 62 Cb -0.18 -3.87 0.00 0.00 -1.15 0.00 0.00 33.47 28.27 2iiv s TRP 62 CO -0.07 -3.12 0.46 0.44 0.02 0.00 0.00 176.95 174.67 2iiv n ILE 63 N 3.62 0.00 -2.95 2.03 -5.35 -0.59 -4.92 119.36 111.20 2iiv n ILE 63 Ca 0.12 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2iiv n ILE 63 Cb 0.39 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 2iiv n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2iiv n SER 64 N -0.30 0.00 -0.06 7.28 3.41 -1.19 -4.97 113.62 117.78 2iiv n SER 64 Ca 0.02 -0.64 0.15 0.00 -0.26 0.00 0.00 58.87 58.14 2iiv n SER 64 Cb 0.10 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.77 2iiv n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2iiv n ASP 65 N -0.44 0.24 0.00 4.04 2.03 -1.26 -2.04 116.55 119.12 2iiv n ASP 65 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 2iiv n ASP 65 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 2iiv n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2iiv n HIS 66 N -1.06 0.00 -4.15 -0.67 1.44 -1.26 -4.45 115.22 105.06 2iiv n HIS 66 Ca 0.16 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.74 2iiv n HIS 66 Cb 0.24 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.24 2iiv n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2iiv s GLU 67 N 0.00 0.78 0.09 -1.40 2.02 -1.26 -1.02 118.70 117.90 2iiv s GLU 67 Ca 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 2iiv s GLU 67 Cb 0.00 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 2iiv s GLU 67 CO 0.00 0.06 0.07 1.52 0.02 0.00 0.00 175.26 176.93 2iiv s TYR 68 N -2.38 0.52 -0.09 1.61 -0.85 -0.79 -1.54 117.35 113.82 2iiv s TYR 68 Ca 0.03 -0.98 -0.02 0.00 -0.52 0.00 0.00 57.07 55.58 2iiv s TYR 68 Cb -0.03 -0.31 -0.03 0.00 0.38 0.00 0.00 41.96 41.97 2iiv s TYR 68 CO -0.01 -0.49 -0.00 -0.51 -1.52 0.00 0.00 175.55 173.02 2iiv s LEU 69 N -2.95 3.54 -0.02 -3.49 1.43 0.93 0.02 118.68 118.16 2iiv s LEU 69 Ca 0.12 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2iiv s LEU 69 Cb 0.07 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.49 2iiv s LEU 69 CO -0.06 0.35 0.02 -0.47 0.23 0.00 0.00 176.35 176.42 2iiv s TYR 70 N -0.74 0.06 -0.49 0.29 5.04 -0.37 -0.66 117.35 120.48 2iiv s TYR 70 Ca 0.12 0.08 -0.22 0.00 -2.44 0.00 0.00 57.07 54.61 2iiv s TYR 70 Cb -0.12 -0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.03 2iiv s TYR 70 CO 0.02 -0.07 0.76 0.21 -1.34 0.00 0.00 175.55 175.13 2iiv s LYS 71 N 0.80 3.28 -0.12 4.97 2.20 -1.26 -1.14 119.74 128.46 2iiv s LYS 71 Ca -0.07 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2iiv s LYS 71 Cb -0.10 -4.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.22 2iiv s LYS 71 CO -0.02 -1.24 -0.18 -1.14 -0.36 0.00 0.00 175.35 172.41 2iiv s GLN 72 N 3.23 2.57 -1.42 4.03 0.74 0.19 -4.70 119.66 124.29 2iiv s GLN 72 Ca 0.25 -0.69 -0.10 0.00 0.05 0.00 0.00 55.36 54.87 2iiv s GLN 72 Cb -0.14 -2.13 0.03 0.00 1.10 0.00 0.00 33.01 31.87 2iiv s GLN 72 CO 0.18 -0.05 1.08 0.39 -0.55 0.00 0.00 175.29 176.34 2iiv n GLU 73 N 4.16 -7.06 -0.43 1.67 1.02 -1.26 -1.46 120.64 117.28 2iiv n GLU 73 Ca -0.19 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2iiv n GLU 73 Cb 0.51 -5.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.16 2iiv n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2iiv n ASN 74 N -2.92 0.00 -4.90 1.62 3.02 -1.26 -4.88 115.26 105.94 2iiv n ASN 74 Ca 0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 2iiv n ASN 74 Cb 0.56 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.36 2iiv n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2iiv s ASN 75 N -2.52 6.40 -0.26 6.41 0.01 -0.54 -4.23 114.94 120.22 2iiv s ASN 75 Ca 0.00 0.39 -0.14 0.00 -0.71 0.00 0.00 52.86 52.40 2iiv s ASN 75 Cb 0.00 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 2iiv s ASN 75 CO 0.00 0.22 0.33 -0.63 -1.51 0.00 0.00 177.10 175.52 2iiv s ILE 76 N -1.39 5.21 0.19 0.60 1.01 -0.88 -0.64 121.20 125.31 2iiv s ILE 76 Ca 0.30 0.50 0.08 0.00 0.00 0.00 0.00 60.65 61.53 2iiv s ILE 76 Cb -0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2iiv s ILE 76 CO 0.21 0.20 -0.03 -0.76 0.00 0.00 0.00 174.94 174.55 2iiv s LEU 77 N 1.82 3.17 -0.10 2.97 1.43 -0.29 0.12 118.68 127.79 2iiv s LEU 77 Ca 0.14 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2iiv s LEU 77 Cb -0.15 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2iiv s LEU 77 CO 0.09 0.08 -0.13 0.54 0.23 0.00 0.00 176.35 177.16 2iiv s VAL 78 N -1.81 3.11 0.01 -1.59 0.11 -0.39 -1.23 120.40 118.60 2iiv s VAL 78 Ca 0.27 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 58.71 2iiv s VAL 78 Cb -0.09 -2.28 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2iiv s VAL 78 CO 0.18 0.55 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.99 2iiv s PHE 79 N -0.03 2.68 -0.25 1.54 0.08 0.10 -2.22 117.98 119.89 2iiv s PHE 79 Ca -0.03 -0.18 -0.18 0.00 0.12 0.00 0.00 56.93 56.66 2iiv s PHE 79 Cb -0.14 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 2iiv s PHE 79 CO 0.04 0.27 0.52 1.21 -0.10 0.00 0.00 175.22 177.15 2iiv s ASN 80 N -1.27 6.45 0.21 1.36 3.84 -0.42 -1.89 114.94 123.23 2iiv s ASN 80 Ca 0.15 0.55 -0.08 0.00 0.21 0.00 0.00 52.86 53.69 2iiv s ASN 80 Cb -0.11 -2.28 0.14 0.00 -0.55 0.00 0.00 41.25 38.45 2iiv s ASN 80 CO 0.05 -0.27 1.72 0.00 -2.79 0.00 0.00 177.10 175.81 2iiv h ALA 81 N 7.92 0.96 -0.15 1.71 0.00 -1.41 0.47 119.26 128.77 2iiv h ALA 81 Ca -0.30 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2iiv h ALA 81 Cb 1.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2iiv h ALA 81 CO 0.72 0.66 0.07 1.49 0.00 0.00 0.00 179.25 182.19 2iiv h GLU 82 N 1.05 0.15 0.00 0.00 4.57 -1.93 -3.34 114.58 115.08 2iiv h GLU 82 Ca 0.21 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2iiv h GLU 82 Cb 0.39 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2iiv h GLU 82 CO 0.01 0.10 -1.38 0.66 -1.18 0.00 0.00 179.01 177.21 2iiv n TYR 83 N -5.03 0.00 -0.45 0.92 4.02 -1.23 -5.01 117.16 110.39 2iiv n TYR 83 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2iiv n TYR 83 Cb 0.05 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 2iiv n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2iiv n GLY 84 N 1.66 1.03 3.79 2.72 0.00 0.16 -5.04 105.19 109.51 2iiv n GLY 84 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2iiv n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iiv s ASN 85 N -3.05 6.11 0.26 1.61 4.22 -1.25 -4.73 114.94 118.11 2iiv s ASN 85 Ca 0.00 2.00 0.01 0.00 -2.14 0.00 0.00 52.86 52.73 2iiv s ASN 85 Cb 0.00 -2.56 -0.04 0.00 1.28 0.00 0.00 41.25 39.92 2iiv s ASN 85 CO 0.00 -0.95 0.12 -0.94 -2.04 0.00 0.00 177.10 173.30 2iiv s SER 86 N -1.98 1.07 0.05 3.54 1.04 -1.26 -1.30 113.70 114.86 2iiv s SER 86 Ca 0.69 -1.44 -0.08 0.00 0.48 0.00 0.00 55.95 55.59 2iiv s SER 86 Cb -0.19 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 2iiv s SER 86 CO 0.23 -0.80 0.17 -0.44 0.98 0.00 0.00 173.24 173.37 2iiv s SER 87 N -3.30 0.10 0.21 7.02 0.01 -0.94 -4.99 113.70 111.81 2iiv s SER 87 Ca 0.38 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 2iiv s SER 87 Cb 0.07 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.51 2iiv s SER 87 CO 0.15 -0.60 1.06 -0.69 0.41 0.00 0.00 173.24 173.56 2iiv s VAL 88 N -3.02 3.87 -0.26 3.43 1.01 -1.26 -1.26 120.40 122.91 2iiv s VAL 88 Ca -0.02 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 2iiv s VAL 88 Cb 0.01 -4.09 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2iiv s VAL 88 CO -0.06 0.34 -0.25 0.33 0.00 0.00 0.00 175.10 175.46 2iiv n PHE 89 N 1.98 0.00 -3.72 5.22 -0.00 0.32 -4.81 117.46 116.44 2iiv n PHE 89 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.34 2iiv n PHE 89 Cb 0.46 -0.97 -0.11 0.00 -0.00 0.00 0.00 39.48 38.86 2iiv n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2iiv s LEU 90 N -6.66 0.27 0.23 -2.13 2.96 -0.76 -5.00 118.68 107.60 2iiv s LEU 90 Ca -0.35 0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2iiv s LEU 90 Cb 0.10 1.16 -0.09 0.00 0.50 0.00 0.00 46.19 47.86 2iiv s LEU 90 CO 0.56 -0.16 1.30 -1.61 -1.32 0.00 0.00 176.35 175.12 2iiv s GLU 91 N 0.96 4.39 0.00 1.98 0.41 -1.26 -2.07 118.70 123.11 2iiv s GLU 91 Ca -0.06 2.08 0.16 0.00 -0.41 0.00 0.00 54.97 56.74 2iiv s GLU 91 Cb -0.07 -3.17 0.83 0.00 -1.78 0.00 0.00 34.13 29.94 2iiv s GLU 91 CO -0.07 -0.22 1.42 0.27 -0.49 0.00 0.00 175.26 176.16 2iiv n ASN 92 N 2.21 0.00 -0.02 -0.19 6.94 -1.26 -1.88 115.26 121.05 2iiv n ASN 92 Ca 0.05 -0.08 0.05 0.00 -0.02 0.00 0.00 54.58 54.58 2iiv n ASN 92 Cb 0.43 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 2iiv n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2iiv n SER 93 N -1.21 0.60 -0.29 0.53 3.41 -1.26 -4.55 113.62 110.85 2iiv n SER 93 Ca 0.09 -0.80 0.27 0.00 -0.26 0.00 0.00 58.87 58.17 2iiv n SER 93 Cb 0.10 0.95 0.62 0.00 -0.26 0.00 0.00 64.21 65.63 2iiv n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2iiv h THR 94 N 0.12 0.50 -0.41 6.66 2.02 -1.76 0.32 112.91 120.36 2iiv h THR 94 Ca 0.00 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 2iiv h THR 94 Cb 0.28 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 2iiv h THR 94 CO 0.00 0.04 0.03 0.49 0.37 0.00 0.00 175.52 176.45 2iiv n PHE 95 N -4.43 1.30 -0.33 3.16 3.72 -1.26 -4.74 117.46 114.88 2iiv n PHE 95 Ca 0.24 -1.43 0.20 0.00 -0.05 0.00 0.00 57.45 56.41 2iiv n PHE 95 Cb 0.99 -0.50 0.41 0.00 -0.94 0.00 0.00 39.48 39.45 2iiv n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2iiv h ASP 96 N 1.26 0.42 -0.70 4.37 3.32 -0.61 0.35 116.42 124.83 2iiv h ASP 96 Ca 0.21 0.18 -0.50 0.00 0.02 0.00 0.00 57.03 56.94 2iiv h ASP 96 Cb 1.75 0.15 -0.36 0.00 0.22 0.00 0.00 39.33 41.09 2iiv h ASP 96 CO 0.43 -0.10 -0.53 -0.62 -1.72 0.00 0.00 179.24 176.70 2iiv n GLU 97 N -5.06 3.24 0.25 3.56 1.02 -1.26 -4.72 120.64 117.67 2iiv n GLU 97 Ca 0.28 -3.94 0.11 0.00 -0.02 0.00 0.00 57.16 53.59 2iiv n GLU 97 Cb 0.87 -2.20 0.68 0.00 -0.02 0.00 0.00 31.44 30.76 2iiv n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2iiv h PHE 98 N 2.00 0.00 0.00 -0.32 3.57 -1.26 -3.46 116.94 117.47 2iiv h PHE 98 Ca 0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2iiv h PHE 98 Cb 1.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2iiv h PHE 98 CO 0.93 0.13 0.00 0.41 -2.23 0.00 0.00 178.31 177.55 2iiv n GLY 99 N -0.88 3.29 3.32 2.40 0.00 -1.26 -5.01 105.19 107.05 2iiv n GLY 99 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2iiv n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iiv s HIS 100 N -2.20 1.78 -0.38 1.61 3.76 -1.26 -5.09 115.29 113.51 2iiv s HIS 100 Ca 0.00 -0.48 -0.24 0.00 -0.15 0.00 0.00 55.06 54.19 2iiv s HIS 100 Cb 0.00 -0.89 0.01 0.00 1.11 0.00 0.00 32.58 32.81 2iiv s HIS 100 CO 0.00 0.31 0.84 0.45 -0.85 0.00 0.00 174.74 175.50 2iiv s SER 101 N -2.67 6.58 -0.15 1.40 0.15 -1.26 -4.99 113.70 112.77 2iiv s SER 101 Ca 0.15 0.39 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 2iiv s SER 101 Cb -0.05 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2iiv s SER 101 CO 0.06 -0.81 1.39 -0.63 1.20 0.00 0.00 173.24 174.45 2iiv s ILE 102 N 3.28 4.06 0.11 6.45 1.01 -1.26 -4.44 121.20 130.41 2iiv s ILE 102 Ca 0.34 1.27 -0.05 0.00 0.00 0.00 0.00 60.65 62.21 2iiv s ILE 102 Cb -0.12 -3.85 -0.21 0.00 0.01 0.00 0.00 42.46 38.28 2iiv s ILE 102 CO 0.18 -0.15 1.25 -1.13 0.00 0.00 0.00 174.94 175.10 2iiv h ASN 103 N 8.76 0.55 -5.19 3.58 -1.24 0.94 -3.49 115.58 119.48 2iiv h ASN 103 Ca -0.30 -0.47 0.18 0.00 0.71 0.00 0.00 56.30 56.41 2iiv h ASN 103 Cb 1.12 -0.17 -0.10 0.00 0.73 0.00 0.00 38.32 39.90 2iiv h ASN 103 CO 0.97 1.29 0.52 -0.62 -1.29 0.00 0.00 177.43 178.31 2iiv s ASP 104 N -7.13 -0.21 0.12 1.15 -1.08 -1.12 -5.01 116.67 103.40 2iiv s ASP 104 Ca -0.06 -0.28 0.03 0.00 -0.52 0.00 0.00 52.55 51.72 2iiv s ASP 104 Cb 0.08 0.43 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 2iiv s ASP 104 CO 0.88 -0.77 -0.09 -0.72 0.52 0.00 0.00 175.17 174.98 2iiv s TYR 105 N -3.16 1.10 -0.25 -5.34 1.13 -1.26 -0.24 117.35 109.33 2iiv s TYR 105 Ca 0.11 -0.79 -0.02 0.00 -1.41 0.00 0.00 57.07 54.96 2iiv s TYR 105 Cb -0.01 -0.59 0.13 0.00 -1.10 0.00 0.00 41.96 40.39 2iiv s TYR 105 CO -0.01 -0.01 0.34 0.45 -2.51 0.00 0.00 175.55 173.81 2iiv s SER 106 N -2.97 0.65 0.09 -0.18 0.15 -0.17 -4.96 113.70 106.32 2iiv s SER 106 Ca 0.13 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.44 2iiv s SER 106 Cb 0.02 0.90 -0.06 0.00 -1.71 0.00 0.00 66.02 65.17 2iiv s SER 106 CO -0.01 -0.32 0.90 -0.63 1.20 0.00 0.00 173.24 174.37 2iiv s ILE 107 N 2.48 4.56 0.66 6.45 1.01 -1.26 -0.41 121.20 134.68 2iiv s ILE 107 Ca 0.11 1.94 -0.17 0.00 0.00 0.00 0.00 60.65 62.52 2iiv s ILE 107 Cb -0.15 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 38.06 2iiv s ILE 107 CO -0.19 0.34 1.23 -0.94 0.00 0.00 0.00 174.94 175.38 2iiv s SER 108 N -0.06 4.70 0.30 3.58 1.04 -0.18 -4.86 113.70 118.22 2iiv s SER 108 Ca 0.44 2.43 0.05 0.00 0.48 0.00 0.00 55.95 59.34 2iiv s SER 108 Cb -0.23 -2.60 0.78 0.00 0.10 0.00 0.00 66.02 64.08 2iiv s SER 108 CO 0.28 -1.92 1.67 -0.65 0.98 0.00 0.00 173.24 173.59 2iiv h PRO 109 N 0.37 0.30 0.00 4.02 0.11 -1.81 0.16 132.00 135.15 2iiv h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2iiv h PRO 109 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2iiv h PRO 109 CO 0.53 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 2iiv n ASP 110 N -5.12 0.00 0.00 -2.05 3.85 -1.03 -4.84 116.55 107.36 2iiv n ASP 110 Ca 0.23 -0.78 0.00 0.00 -0.71 0.00 0.00 54.79 53.53 2iiv n ASP 110 Cb 0.72 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.43 2iiv n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2iiv n GLY 111 N 0.93 0.80 0.14 6.12 0.00 0.55 -4.89 105.19 108.84 2iiv n GLY 111 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 2iiv n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2iiv h GLN 112 N 2.37 0.00 -4.74 1.61 4.20 -1.90 -3.46 115.11 113.19 2iiv h GLN 112 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2iiv h GLN 112 Cb 0.01 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.64 2iiv h GLN 112 CO 0.00 0.56 -0.64 -0.06 -0.67 0.00 0.00 178.83 178.02 2iiv s PHE 113 N -3.22 1.26 -0.06 2.96 0.08 -1.26 -1.72 117.98 116.02 2iiv s PHE 113 Ca 0.01 -1.16 -0.02 0.00 0.12 0.00 0.00 56.93 55.88 2iiv s PHE 113 Cb 0.10 -0.71 0.04 0.00 -0.57 0.00 0.00 43.02 41.87 2iiv s PHE 113 CO 0.74 -0.36 0.12 -1.50 -0.10 0.00 0.00 175.22 174.11 2iiv s ILE 114 N -3.82 -0.13 -0.17 0.64 2.07 -0.82 -1.01 121.20 117.95 2iiv s ILE 114 Ca 0.31 0.29 -0.21 0.00 -1.41 0.00 0.00 60.65 59.63 2iiv s ILE 114 Cb 0.07 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.42 2iiv s ILE 114 CO 0.08 0.12 0.63 -0.22 -1.91 0.00 0.00 174.94 173.64 2iiv s LEU 115 N 1.72 4.18 -0.22 8.50 2.96 0.45 -1.40 118.68 134.86 2iiv s LEU 115 Ca -0.02 0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 54.67 2iiv s LEU 115 Cb -0.12 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 2iiv s LEU 115 CO -0.05 -0.23 0.12 -0.76 -1.32 0.00 0.00 176.35 174.11 2iiv s LEU 116 N 1.66 3.98 -0.17 -0.68 1.43 0.87 -1.00 118.68 124.76 2iiv s LEU 116 Ca 0.30 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2iiv s LEU 116 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2iiv s LEU 116 CO 0.11 0.10 0.03 -0.70 0.23 0.00 0.00 176.35 176.12 2iiv s GLU 117 N 0.84 3.88 0.29 1.70 2.12 0.66 -1.74 118.70 126.45 2iiv s GLU 117 Ca 0.06 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.89 2iiv s GLU 117 Cb -0.13 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2iiv s GLU 117 CO 0.03 0.28 0.52 1.52 -0.54 0.00 0.00 175.26 177.06 2iiv s TYR 118 N 0.34 0.50 -1.36 5.30 1.13 -0.59 0.15 117.35 122.81 2iiv s TYR 118 Ca 0.01 -0.87 -0.08 0.00 -1.41 0.00 0.00 57.07 54.73 2iiv s TYR 118 Cb -0.13 0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.95 2iiv s TYR 118 CO 0.01 -1.10 1.03 0.09 -2.51 0.00 0.00 175.55 173.07 2iiv n ASN 119 N -0.77 -6.21 -4.72 -0.18 3.02 -1.26 -0.32 115.26 104.82 2iiv n ASN 119 Ca -0.02 -0.47 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 2iiv n ASN 119 Cb 0.61 -4.88 -0.03 0.00 -0.61 0.00 0.00 39.78 34.88 2iiv n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2iiv s TYR 120 N -3.28 3.10 -0.18 3.10 5.04 -1.26 -4.23 117.35 119.64 2iiv s TYR 120 Ca 0.51 0.73 -0.03 0.00 -2.44 0.00 0.00 57.07 55.84 2iiv s TYR 120 Cb -0.23 -3.87 0.06 0.00 0.35 0.00 0.00 41.96 38.28 2iiv s TYR 120 CO 0.63 -3.14 0.05 0.08 -1.34 0.00 0.00 175.55 171.83 2iiv s VAL 121 N 1.04 0.38 0.42 3.14 1.01 -0.42 -5.00 120.40 120.97 2iiv s VAL 121 Ca 0.68 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 2iiv s VAL 121 Cb -0.42 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.97 2iiv s VAL 121 CO 0.32 -0.20 1.37 -0.75 0.00 0.00 0.00 175.10 175.84 2iiv s LYS 122 N 1.93 3.86 0.00 2.72 2.20 -1.26 -1.76 119.74 127.43 2iiv s LYS 122 Ca -0.00 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2iiv s LYS 122 Cb -0.17 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2iiv s LYS 122 CO -0.08 -0.63 0.00 0.94 -0.36 0.00 0.00 175.35 175.22 2iiv n GLN 123 N 0.02 0.00 0.00 4.03 7.27 0.89 -4.89 117.38 124.70 2iiv n GLN 123 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2iiv n GLN 123 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 2iiv n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2iiv n TRP 124 N 0.00 0.00 -0.14 3.69 5.03 -1.20 -4.92 117.44 119.90 2iiv n TRP 124 Ca 0.00 0.00 -0.02 0.00 3.03 0.00 0.00 57.50 60.51 2iiv n TRP 124 Cb 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 31.31 30.49 2iiv n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2iiv h ARG 125 N 0.00 0.85 0.00 -0.99 2.43 -1.98 -3.36 114.38 111.34 2iiv h ARG 125 Ca 0.00 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2iiv h ARG 125 Cb 0.00 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2iiv h ARG 125 CO 0.00 0.72 -1.04 0.72 -1.51 0.00 0.00 179.97 178.86 2iiv n HIS 126 N -4.31 0.00 -2.57 2.20 8.25 -1.26 -5.07 115.22 112.46 2iiv n HIS 126 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 2iiv n HIS 126 Cb 0.18 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 2iiv n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2iiv s SER 127 N -2.64 6.72 -0.02 0.41 1.04 -1.26 -4.65 113.70 113.30 2iiv s SER 127 Ca -0.00 1.64 -0.30 0.00 0.48 0.00 0.00 55.95 57.77 2iiv s SER 127 Cb 0.00 -2.52 0.11 0.00 0.10 0.00 0.00 66.02 63.71 2iiv s SER 127 CO 0.03 -0.52 1.10 -0.72 0.98 0.00 0.00 173.24 174.11 2iiv s TYR 128 N -2.41 -0.15 0.31 5.02 -0.85 -1.26 -0.08 117.35 117.93 2iiv s TYR 128 Ca 0.61 0.01 0.11 0.00 -0.52 0.00 0.00 57.07 57.28 2iiv s TYR 128 Cb -0.10 0.56 -0.06 0.00 0.38 0.00 0.00 41.96 42.74 2iiv s TYR 128 CO 0.23 -0.44 -0.14 0.95 -1.52 0.00 0.00 175.55 174.64 2iiv s THR 129 N -2.77 2.42 0.15 -3.49 -4.23 -0.72 -4.62 115.64 102.38 2iiv s THR 129 Ca 0.10 -2.28 -0.25 0.00 -1.18 0.00 0.00 61.69 58.09 2iiv s THR 129 Cb 0.01 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.41 2iiv s THR 129 CO -0.04 -0.30 1.00 0.00 -0.54 0.00 0.00 174.62 174.74 2iiv s ALA 130 N -2.55 -1.68 0.11 3.99 0.00 -0.73 -1.30 121.76 119.60 2iiv s ALA 130 Ca 0.31 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.41 2iiv s ALA 130 Cb -0.01 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2iiv s ALA 130 CO 0.16 -1.05 0.09 -1.12 0.00 0.00 0.00 175.76 173.84 2iiv s SER 131 N -3.01 5.47 0.05 0.00 0.01 0.56 -1.30 113.70 115.50 2iiv s SER 131 Ca 0.14 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2iiv s SER 131 Cb -0.01 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.75 2iiv s SER 131 CO 0.02 0.14 -0.07 -0.31 0.41 0.00 0.00 173.24 173.43 2iiv s TYR 132 N -1.51 0.68 0.04 2.43 1.51 -1.26 -1.54 117.35 117.70 2iiv s TYR 132 Ca 0.30 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2iiv s TYR 132 Cb -0.11 -0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2iiv s TYR 132 CO 0.22 -0.12 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.96 2iiv s ASP 133 N -2.00 0.75 -0.14 2.29 1.01 -0.71 -4.47 116.67 113.40 2iiv s ASP 133 Ca -0.04 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.69 2iiv s ASP 133 Cb -0.05 0.05 -0.00 0.00 1.01 0.00 0.00 42.92 43.92 2iiv s ASP 133 CO -0.02 -0.22 -0.17 -0.63 0.21 0.00 0.00 175.17 174.34 2iiv s ILE 134 N -1.39 2.53 -0.13 0.77 1.01 -1.26 -0.09 121.20 122.63 2iiv s ILE 134 Ca -0.11 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 2iiv s ILE 134 Cb -0.10 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2iiv s ILE 134 CO 0.00 0.53 -0.05 -0.47 0.00 0.00 0.00 174.94 174.95 2iiv s TYR 135 N 0.65 3.00 -0.28 3.97 5.04 -0.50 -0.36 117.35 128.88 2iiv s TYR 135 Ca -0.09 -0.22 -0.23 0.00 -2.44 0.00 0.00 57.07 54.09 2iiv s TYR 135 Cb -0.16 -1.89 -0.00 0.00 0.35 0.00 0.00 41.96 40.26 2iiv s TYR 135 CO 0.02 0.07 0.77 0.34 -1.34 0.00 0.00 175.55 175.41 2iiv s ASP 136 N 0.03 6.70 0.20 4.32 -1.08 0.31 -1.94 116.67 125.20 2iiv s ASP 136 Ca -0.00 0.79 0.05 0.00 -0.52 0.00 0.00 52.55 52.87 2iiv s ASP 136 Cb -0.13 -2.40 0.10 0.00 -1.46 0.00 0.00 42.92 39.02 2iiv s ASP 136 CO 0.03 -0.54 1.45 -0.07 0.52 0.00 0.00 175.17 176.56 2iiv h LEU 137 N 9.27 0.17 0.33 -1.34 3.38 -1.62 -1.43 115.31 124.07 2iiv h LEU 137 Ca -0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2iiv h LEU 137 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2iiv h LEU 137 CO 0.86 0.88 -0.16 0.78 0.09 0.00 0.00 178.44 180.89 2iiv h ASN 138 N 0.08 -0.37 -0.33 -0.43 2.35 -1.91 -3.14 115.58 111.83 2iiv h ASN 138 Ca -0.02 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2iiv h ASN 138 Cb 1.37 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.83 2iiv h ASN 138 CO 0.11 0.03 0.00 2.29 -1.65 0.00 0.00 177.43 178.22 2iiv n LYS 139 N -5.12 2.44 -4.39 0.81 2.85 -1.25 -4.91 118.16 108.59 2iiv n LYS 139 Ca -0.09 -1.47 -0.35 0.00 -1.05 0.00 0.00 58.31 55.34 2iiv n LYS 139 Cb 0.27 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 32.96 2iiv n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2iiv n ARG 140 N 0.45 -0.86 -4.25 -1.58 5.12 -0.61 -4.92 116.66 110.02 2iiv n ARG 140 Ca 0.13 0.11 -0.19 0.00 -1.93 0.00 0.00 57.85 55.97 2iiv n ARG 140 Cb 0.53 -3.96 -0.12 0.00 -1.16 0.00 0.00 32.46 27.74 2iiv n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2iiv s GLN 141 N -7.30 0.88 -0.14 5.56 -1.52 -0.79 -4.95 119.66 111.40 2iiv s GLN 141 Ca 0.30 -0.89 -0.20 0.00 -1.95 0.00 0.00 55.36 52.61 2iiv s GLN 141 Cb -0.18 -0.91 -0.03 0.00 -0.22 0.00 0.00 33.01 31.67 2iiv s GLN 141 CO 1.00 0.21 0.59 -1.17 -0.25 0.00 0.00 175.29 175.68 2iiv s LEU 142 N -1.52 4.23 0.04 2.90 2.96 -1.26 0.11 118.68 126.14 2iiv s LEU 142 Ca -0.00 0.91 -0.31 0.00 -0.22 0.00 0.00 54.13 54.51 2iiv s LEU 142 Cb -0.09 -2.87 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 2iiv s LEU 142 CO 0.02 -0.14 1.38 -0.63 -1.32 0.00 0.00 176.35 175.66 2iiv s ILE 143 N 1.21 3.61 -0.45 6.68 1.01 0.51 -4.90 121.20 128.86 2iiv s ILE 143 Ca 0.30 1.07 0.07 0.00 0.00 0.00 0.00 60.65 62.09 2iiv s ILE 143 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2iiv s ILE 143 CO 0.12 0.03 0.38 0.35 0.00 0.00 0.00 174.94 175.83 2iiv n THR 144 N 4.38 0.00 -4.14 2.92 -2.24 -1.26 -4.58 114.28 109.36 2iiv n THR 144 Ca 0.12 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 2iiv n THR 144 Cb 0.43 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 2iiv n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2iiv s GLU 145 N -1.41 2.95 -1.40 -0.78 -1.05 -1.26 -4.61 118.70 111.14 2iiv s GLU 145 Ca 0.04 -0.56 -0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2iiv s GLU 145 Cb 0.05 -2.78 0.01 0.00 -0.44 0.00 0.00 34.13 30.97 2iiv s GLU 145 CO 0.24 0.62 0.51 0.39 0.95 0.00 0.00 175.26 177.97 2iiv n GLU 146 N 1.09 -3.73 -2.44 -4.83 -0.58 -1.26 -4.66 120.64 104.23 2iiv n GLU 146 Ca -0.13 0.46 -0.32 0.00 -0.42 0.00 0.00 57.16 56.75 2iiv n GLU 146 Cb 0.52 -4.73 -0.04 0.00 -0.57 0.00 0.00 31.44 26.63 2iiv n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2iiv s ARG 147 N -6.44 3.95 0.27 3.49 1.70 -1.26 -4.79 118.95 115.87 2iiv s ARG 147 Ca 0.06 0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 55.95 2iiv s ARG 147 Cb -0.03 -2.15 -0.13 0.00 -0.57 0.00 0.00 34.95 32.07 2iiv s ARG 147 CO 0.87 -0.25 1.44 -0.89 -1.08 0.00 0.00 175.30 175.40 2iiv n ILE 148 N -1.53 1.14 -0.88 4.99 5.41 -1.26 -4.93 119.36 122.29 2iiv n ILE 148 Ca 0.06 -0.28 -0.32 0.00 1.00 0.00 0.00 62.75 63.21 2iiv n ILE 148 Cb 0.54 -1.63 0.15 0.00 -0.71 0.00 0.00 39.64 37.99 2iiv n ILE 148 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2iiv s PRO 149 N -0.67 1.29 0.60 0.38 0.02 -1.26 -4.60 135.00 130.76 2iiv s PRO 149 Ca 0.65 1.63 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2iiv s PRO 149 Cb -0.59 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 2iiv s PRO 149 CO 0.51 -2.45 1.02 -0.80 -0.33 0.00 0.00 177.00 174.96 2iiv s ASN 150 N -2.46 6.21 -1.21 2.53 0.01 -1.26 -3.79 114.94 114.96 2iiv s ASN 150 Ca 0.69 1.48 -0.03 0.00 -0.71 0.00 0.00 52.86 54.30 2iiv s ASN 150 Cb -0.25 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 38.93 2iiv s ASN 150 CO 0.55 -0.88 0.35 0.59 -1.51 0.00 0.00 177.10 176.20 2iiv n ASN 151 N -2.52 -4.93 -4.74 -1.22 3.02 -1.20 -4.96 115.26 98.69 2iiv n ASN 151 Ca 0.06 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 2iiv n ASN 151 Cb 0.54 -3.85 -0.04 0.00 -0.61 0.00 0.00 39.78 35.82 2iiv n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2iiv s THR 152 N -2.96 3.77 -0.16 3.41 2.01 -0.42 -4.64 115.64 116.65 2iiv s THR 152 Ca 0.18 1.55 0.17 0.00 0.31 0.00 0.00 61.69 63.90 2iiv s THR 152 Cb -0.08 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2iiv s THR 152 CO 0.22 0.28 1.06 1.56 -0.69 0.00 0.00 174.62 177.05 2iiv h GLN 153 N 4.98 0.00 -1.52 4.92 4.20 -1.22 -1.94 115.11 124.52 2iiv h GLN 153 Ca -0.45 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.35 2iiv h GLN 153 Cb 1.21 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.74 2iiv h GLN 153 CO 0.72 0.31 0.55 -0.46 -0.67 0.00 0.00 178.83 179.28 2iiv s TRP 154 N -3.00 -0.38 -0.05 2.96 -0.11 -1.20 -4.65 118.94 112.51 2iiv s TRP 154 Ca -0.00 0.80 -0.13 0.00 1.22 0.00 0.00 56.10 57.99 2iiv s TRP 154 Cb 0.08 0.42 0.02 0.00 -1.50 0.00 0.00 33.47 32.49 2iiv s TRP 154 CO 0.78 -0.26 0.29 0.54 -4.62 0.00 0.00 176.95 173.69 2iiv s VAL 155 N -0.44 0.04 -0.26 5.86 0.11 -1.26 -0.45 120.40 123.99 2iiv s VAL 155 Ca 0.01 -0.34 -0.20 0.00 -2.93 0.00 0.00 61.98 58.53 2iiv s VAL 155 Cb -0.03 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.35 2iiv s VAL 155 CO -0.03 -0.19 0.67 0.28 -3.33 0.00 0.00 175.10 172.50 2iiv s THR 156 N -0.83 -0.00 0.93 5.04 -1.32 -0.39 -5.00 115.64 114.07 2iiv s THR 156 Ca -0.09 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.28 2iiv s THR 156 Cb -0.04 -0.95 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 2iiv s THR 156 CO 0.03 0.00 1.09 0.26 -2.21 0.00 0.00 174.62 173.79 2iiv s TRP 157 N 0.95 2.21 0.68 9.09 0.52 -1.26 -2.01 118.94 129.11 2iiv s TRP 157 Ca -0.05 1.22 -0.11 0.00 0.02 0.00 0.00 56.10 57.19 2iiv s TRP 157 Cb -0.05 -3.18 -0.00 0.00 -1.15 0.00 0.00 33.47 29.08 2iiv s TRP 157 CO -0.08 -2.57 1.06 -1.54 0.02 0.00 0.00 176.95 173.83 2iiv s SER 158 N -3.35 5.64 0.58 2.95 1.04 -0.18 -4.86 113.70 115.51 2iiv s SER 158 Ca 0.64 1.46 0.30 0.00 0.48 0.00 0.00 55.95 58.83 2iiv s SER 158 Cb -0.19 -2.39 1.77 0.00 0.10 0.00 0.00 66.02 65.32 2iiv s SER 158 CO 0.57 -1.26 2.23 1.55 0.98 0.00 0.00 173.24 177.31 2iiv h PRO 159 N -0.59 0.00 -5.10 4.02 0.13 -1.82 -3.43 132.00 125.21 2iiv h PRO 159 Ca -0.44 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.35 2iiv h PRO 159 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 2iiv h PRO 159 CO 0.60 0.02 -0.73 0.08 -0.23 0.00 0.00 178.00 177.74 2iiv s VAL 160 N -4.55 1.12 0.00 1.56 1.01 -1.26 -4.80 120.40 113.48 2iiv s VAL 160 Ca -0.05 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.09 2iiv s VAL 160 Cb 0.15 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2iiv s VAL 160 CO 0.55 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2iiv n GLY 161 N 0.21 2.34 2.07 4.51 0.00 -1.26 -4.41 105.19 108.65 2iiv n GLY 161 Ca -0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 2iiv n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2iiv n HIS 162 N 13.26 -0.50 -1.88 1.61 1.44 -1.26 -2.47 115.22 125.43 2iiv n HIS 162 Ca 0.00 -1.29 -0.31 0.00 -2.01 0.00 0.00 57.72 54.11 2iiv n HIS 162 Cb 0.00 0.64 0.01 0.00 0.12 0.00 0.00 29.99 30.76 2iiv n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2iiv s LYS 163 N -0.74 3.50 0.08 -1.40 1.02 -1.26 -4.57 119.74 116.36 2iiv s LYS 163 Ca 0.14 0.83 0.06 0.00 0.02 0.00 0.00 55.97 57.02 2iiv s LYS 163 Cb 0.29 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 2iiv s LYS 163 CO -0.08 -0.65 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.02 2iiv s LEU 164 N -5.10 2.28 -0.02 3.17 1.43 -0.26 -1.01 118.68 119.17 2iiv s LEU 164 Ca 0.56 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2iiv s LEU 164 Cb -0.12 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.48 2iiv s LEU 164 CO 0.51 -0.03 0.01 0.00 0.23 0.00 0.00 176.35 177.07 2iiv s ALA 165 N -1.23 0.23 0.08 4.21 0.00 -0.85 -0.93 121.76 123.27 2iiv s ALA 165 Ca 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 2iiv s ALA 165 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2iiv s ALA 165 CO 0.03 -0.06 0.09 1.52 0.00 0.00 0.00 175.76 177.33 2iiv s TYR 166 N 0.89 0.35 -0.09 0.00 1.13 -0.02 -1.26 117.35 118.35 2iiv s TYR 166 Ca -0.08 -0.83 0.03 0.00 -1.41 0.00 0.00 57.07 54.78 2iiv s TYR 166 Cb -0.12 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.51 2iiv s TYR 166 CO -0.02 -0.48 -0.21 0.08 -2.51 0.00 0.00 175.55 172.42 2iiv s VAL 167 N -3.90 2.41 -0.05 -3.49 1.01 0.40 -0.38 120.40 116.40 2iiv s VAL 167 Ca 0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2iiv s VAL 167 Cb 0.06 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2iiv s VAL 167 CO -0.10 0.56 0.12 0.86 0.00 0.00 0.00 175.10 176.53 2iiv s TRP 168 N 0.12 -0.12 -1.64 5.22 -0.00 -0.62 -0.80 118.94 121.09 2iiv s TRP 168 Ca -0.10 0.35 -0.16 0.00 -0.00 0.00 0.00 56.10 56.19 2iiv s TRP 168 Cb -0.16 -0.03 0.13 0.00 -0.00 0.00 0.00 33.47 33.41 2iiv s TRP 168 CO 0.06 -0.10 0.81 0.09 -0.00 0.00 0.00 176.95 177.81 2iiv n ASN 169 N 3.59 -3.44 -0.32 5.86 5.03 -1.26 -1.21 115.26 123.52 2iiv n ASN 169 Ca -0.19 -0.96 -0.04 0.00 0.87 0.00 0.00 54.58 54.26 2iiv n ASN 169 Cb 0.55 -3.05 -0.02 0.00 -1.02 0.00 0.00 39.78 36.25 2iiv n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2iiv n ASN 170 N -2.72 -4.72 -4.42 6.41 5.03 -1.26 -4.36 115.26 109.22 2iiv n ASN 170 Ca 0.04 0.10 -0.26 0.00 0.87 0.00 0.00 54.58 55.33 2iiv n ASN 170 Cb 0.51 -2.58 -0.12 0.00 -1.02 0.00 0.00 39.78 36.58 2iiv n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2iiv s ASP 171 N -2.28 3.36 -0.06 6.41 -0.00 -0.35 -2.17 116.67 121.58 2iiv s ASP 171 Ca 0.00 -0.88 -0.14 0.00 -0.00 0.00 0.00 52.55 51.53 2iiv s ASP 171 Cb 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 42.92 42.62 2iiv s ASP 171 CO 0.00 0.10 0.36 -0.63 -0.00 0.00 0.00 175.17 175.00 2iiv s ILE 172 N -1.78 5.16 0.06 0.77 1.01 -1.26 -1.59 121.20 123.56 2iiv s ILE 172 Ca 0.21 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.63 2iiv s ILE 172 Cb -0.07 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2iiv s ILE 172 CO 0.10 0.51 -0.13 -0.31 0.00 0.00 0.00 174.94 175.11 2iiv s TYR 173 N -0.51 1.11 -0.03 3.97 1.51 0.48 0.09 117.35 123.98 2iiv s TYR 173 Ca 0.22 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 2iiv s TYR 173 Cb -0.15 -0.64 -0.00 0.00 -0.11 0.00 0.00 41.96 41.06 2iiv s TYR 173 CO 0.10 0.03 -0.12 0.08 -1.11 0.00 0.00 175.55 174.53 2iiv s VAL 174 N -1.17 1.01 -0.22 0.71 1.01 -0.69 -0.84 120.40 120.20 2iiv s VAL 174 Ca -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2iiv s VAL 174 Cb -0.09 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.45 2iiv s VAL 174 CO 0.02 0.30 -0.13 -0.54 0.00 0.00 0.00 175.10 174.75 2iiv s LYS 175 N 0.10 2.35 0.28 2.72 1.02 -0.10 -0.22 119.74 125.88 2iiv s LYS 175 Ca -0.03 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 54.96 2iiv s LYS 175 Cb -0.09 -2.67 0.39 0.00 -0.52 0.00 0.00 37.83 34.94 2iiv s LYS 175 CO 0.01 -0.44 1.65 0.82 -0.92 0.00 0.00 175.35 176.47 2iiv h ILE 176 N 6.45 1.34 -4.00 2.17 1.08 -1.85 -0.66 117.51 122.04 2iiv h ILE 176 Ca -0.28 -1.71 -0.38 0.00 -0.39 0.00 0.00 64.86 62.10 2iiv h ILE 176 Cb 1.08 1.82 -0.29 0.00 -3.07 0.00 0.00 36.82 36.37 2iiv h ILE 176 CO 0.51 0.50 -0.77 -1.61 -0.69 0.00 0.00 178.15 176.09 2iiv s GLU 177 N -3.98 0.68 0.48 2.37 0.41 -1.26 -4.35 118.70 113.05 2iiv s GLU 177 Ca -0.04 -0.29 0.25 0.00 -0.41 0.00 0.00 54.97 54.48 2iiv s GLU 177 Cb 0.13 -0.66 1.31 0.00 -1.78 0.00 0.00 34.13 33.13 2iiv s GLU 177 CO 0.78 0.17 1.86 -1.35 -0.49 0.00 0.00 175.26 176.23 2iiv h PRO 178 N 5.96 0.18 -0.03 0.39 0.11 -1.84 -1.85 132.00 134.92 2iiv h PRO 178 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2iiv h PRO 178 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2iiv h PRO 178 CO 0.50 0.12 -0.10 0.27 -0.21 0.00 0.00 178.00 178.58 2iiv n ASN 179 N -4.39 2.74 -4.94 -2.05 6.94 -1.26 -4.81 115.26 107.48 2iiv n ASN 179 Ca 0.20 -1.87 -0.24 0.00 -0.02 0.00 0.00 54.58 52.65 2iiv n ASN 179 Cb 0.87 0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 38.37 2iiv n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2iiv s LEU 180 N -2.03 4.17 0.58 -4.53 1.43 -0.70 -4.51 118.68 113.08 2iiv s LEU 180 Ca 0.25 0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 53.49 2iiv s LEU 180 Cb 0.19 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2iiv s LEU 180 CO 0.34 -0.15 1.29 -2.16 0.23 0.00 0.00 176.35 175.90 2iiv s PRO 181 N -3.87 3.00 0.44 1.29 0.04 -1.26 -4.81 135.00 129.83 2iiv s PRO 181 Ca 0.38 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 2iiv s PRO 181 Cb -0.10 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2iiv s PRO 181 CO 0.32 -1.24 0.76 -1.54 0.04 0.00 0.00 177.00 175.33 2iiv s SER 182 N -1.27 6.36 -0.22 6.66 1.04 -1.26 -4.75 113.70 120.26 2iiv s SER 182 Ca 0.75 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 58.05 2iiv s SER 182 Cb -0.36 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2iiv s SER 182 CO 0.41 -0.49 0.13 -0.31 0.98 0.00 0.00 173.24 173.96 2iiv s TYR 183 N -2.57 3.30 -0.22 5.02 2.02 0.69 -4.90 117.35 120.69 2iiv s TYR 183 Ca 0.48 0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 57.06 2iiv s TYR 183 Cb -0.10 -2.21 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 2iiv s TYR 183 CO 0.39 0.09 1.30 0.50 -1.57 0.00 0.00 175.55 176.27 2iiv s ARG 184 N 0.85 4.08 -0.06 -0.62 3.52 -1.26 -1.70 118.95 123.75 2iiv s ARG 184 Ca 0.07 1.49 -0.02 0.00 -0.13 0.00 0.00 55.73 57.14 2iiv s ARG 184 Cb -0.13 -3.83 -0.26 0.00 -1.56 0.00 0.00 34.95 29.17 2iiv s ARG 184 CO 0.03 -0.91 0.61 0.82 -0.81 0.00 0.00 175.30 175.04 2iiv h ILE 185 N 5.72 0.86 -3.59 4.11 1.08 -0.71 -3.39 117.51 121.59 2iiv h ILE 185 Ca -0.27 -2.57 -0.48 0.00 -0.39 0.00 0.00 64.86 61.15 2iiv h ILE 185 Cb 1.10 2.59 -0.19 0.00 -3.07 0.00 0.00 36.82 37.26 2iiv h ILE 185 CO 1.00 0.79 -0.78 0.42 -0.69 0.00 0.00 178.15 178.88 2iiv s THR 186 N -2.59 1.57 0.00 -0.27 -4.23 -1.17 -4.81 115.64 104.13 2iiv s THR 186 Ca -0.14 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2iiv s THR 186 Cb 0.07 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.30 2iiv s THR 186 CO 0.82 -0.28 0.36 0.79 -0.54 0.00 0.00 174.62 175.76 2iiv n TRP 187 N 0.64 0.00 1.36 3.99 7.02 -1.26 -4.44 117.44 124.75 2iiv n TRP 187 Ca -0.16 -0.04 0.13 0.00 -1.02 0.00 0.00 57.50 56.42 2iiv n TRP 187 Cb 0.56 -0.00 0.41 0.00 -2.42 0.00 0.00 31.31 29.85 2iiv n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2iiv n THR 188 N -0.04 0.00 -1.63 -0.99 -2.24 -1.26 -4.97 114.28 103.15 2iiv n THR 188 Ca 0.00 -0.31 -0.50 0.00 -2.27 0.00 0.00 64.05 60.98 2iiv n THR 188 Cb 0.14 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 2iiv n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iiv n GLY 189 N 1.23 0.81 3.11 3.38 0.00 -1.26 -4.67 105.19 107.79 2iiv n GLY 189 Ca 0.17 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 2iiv n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iiv s LYS 190 N 0.98 0.26 -0.08 1.61 2.20 -0.83 -4.89 119.74 118.99 2iiv s LYS 190 Ca 0.83 0.84 -0.40 0.00 -0.36 0.00 0.00 55.97 56.89 2iiv s LYS 190 Cb -0.83 0.05 -0.18 0.00 -1.51 0.00 0.00 37.83 35.35 2iiv s LYS 190 CO 0.44 -0.32 1.34 -1.91 -0.36 0.00 0.00 175.35 174.54 2iiv n GLU 191 N 5.37 0.60 -0.82 4.03 2.13 -1.26 -0.41 120.64 130.28 2iiv n GLU 191 Ca -0.07 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2iiv n GLU 191 Cb 0.50 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2iiv n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2iiv n ASP 192 N 2.78 -2.90 0.07 4.31 8.00 -1.26 -4.71 116.55 122.84 2iiv n ASP 192 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2iiv n ASP 192 Cb 0.11 -2.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 2iiv n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2iiv n ILE 193 N -2.11 0.77 -4.22 0.53 2.08 0.45 -4.70 119.36 112.15 2iiv n ILE 193 Ca 0.00 0.25 -0.34 0.00 0.56 0.00 0.00 62.75 63.22 2iiv n ILE 193 Cb 0.21 -1.20 -0.14 0.00 -0.75 0.00 0.00 39.64 37.76 2iiv n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2iiv s ILE 194 N -1.87 3.09 -0.23 1.39 -1.09 0.24 -0.88 121.20 121.85 2iiv s ILE 194 Ca 0.00 -0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 57.80 2iiv s ILE 194 Cb 0.00 -2.36 0.02 0.00 -1.58 0.00 0.00 42.46 38.54 2iiv s ILE 194 CO 0.00 0.47 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.79 2iiv s TYR 195 N 1.08 3.00 -0.26 3.97 1.51 0.41 -1.97 117.35 125.09 2iiv s TYR 195 Ca 0.00 -1.48 -0.06 0.00 -1.01 0.00 0.00 57.07 54.53 2iiv s TYR 195 Cb -0.15 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 2iiv s TYR 195 CO -0.02 -0.71 0.03 -0.80 -1.11 0.00 0.00 175.55 172.94 2iiv s ASN 196 N 1.34 4.85 0.00 2.29 0.01 -0.92 -0.28 114.94 122.22 2iiv s ASN 196 Ca 0.02 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 2iiv s ASN 196 Cb -0.16 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2iiv s ASN 196 CO -0.06 -0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2iiv n GLY 197 N 4.85 0.78 3.09 0.66 0.00 -0.64 -4.35 105.19 109.57 2iiv n GLY 197 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2iiv n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iiv s ILE 198 N -3.28 0.52 0.41 -0.61 -4.36 -1.26 -0.65 121.20 111.97 2iiv s ILE 198 Ca 0.00 -1.36 -0.05 0.00 -0.26 0.00 0.00 60.65 58.99 2iiv s ILE 198 Cb 0.00 -0.94 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 2iiv s ILE 198 CO 0.00 -0.58 0.69 0.42 0.24 0.00 0.00 174.94 175.71 2iiv s THR 199 N -2.20 4.96 0.63 8.37 -4.23 0.40 -4.70 115.64 118.86 2iiv s THR 199 Ca -0.03 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2iiv s THR 199 Cb -0.04 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.11 2iiv s THR 199 CO -0.02 -0.65 0.87 -0.90 -0.54 0.00 0.00 174.62 173.38 2iiv n ASP 200 N -1.78 0.82 -0.05 3.99 5.75 -1.26 -4.77 116.55 119.25 2iiv n ASP 200 Ca -0.01 -1.77 -0.08 0.00 -0.01 0.00 0.00 54.79 52.92 2iiv n ASP 200 Cb 0.55 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 2iiv n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2iiv h TRP 201 N -0.83 -0.52 -0.37 2.11 7.01 -2.00 -0.85 115.95 120.51 2iiv h TRP 201 Ca -0.28 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.59 2iiv h TRP 201 Cb 0.97 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.29 2iiv h TRP 201 CO 0.00 -0.28 -0.39 -0.24 -2.79 0.00 0.00 178.44 174.74 2iiv h VAL 202 N -0.20 1.28 -0.21 2.65 3.04 -1.95 -1.93 116.25 118.93 2iiv h VAL 202 Ca 0.14 -1.57 -0.10 0.00 -1.01 0.00 0.00 66.70 64.16 2iiv h VAL 202 Cb 0.41 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 2iiv h VAL 202 CO -0.36 0.52 -0.29 1.88 -1.01 0.00 0.00 177.57 178.31 2iiv h TYR 203 N 0.72 0.47 0.36 3.17 -1.99 -1.90 0.10 116.97 117.90 2iiv h TYR 203 Ca 0.06 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 2iiv h TYR 203 Cb 0.97 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.59 2iiv h TYR 203 CO 0.06 0.67 -0.17 1.49 -0.00 0.00 0.00 178.16 180.20 2iiv h GLU 204 N 0.36 -0.47 -0.03 4.88 4.81 -0.96 -1.50 114.58 121.68 2iiv h GLU 204 Ca 0.05 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2iiv h GLU 204 Cb 0.70 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2iiv h GLU 204 CO 0.05 -0.21 -0.03 1.49 -0.73 0.00 0.00 179.01 179.58 2iiv h GLU 205 N -0.67 0.07 0.00 1.92 4.57 -1.32 -1.32 114.58 117.84 2iiv h GLU 205 Ca -0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2iiv h GLU 205 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2iiv h GLU 205 CO 0.08 0.54 -1.58 0.39 -1.18 0.00 0.00 179.01 177.25 2iiv n GLU 206 N -4.80 0.52 0.00 1.92 -0.58 0.02 -4.47 120.64 113.26 2iiv n GLU 206 Ca -0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 57.16 56.55 2iiv n GLU 206 Cb 0.27 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.55 2iiv n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2iiv n VAL 207 N -2.20 0.81 0.78 2.62 0.31 -0.91 -4.84 118.33 114.90 2iiv n VAL 207 Ca -0.02 0.26 0.12 0.00 -0.01 0.00 0.00 64.34 64.69 2iiv n VAL 207 Cb 0.52 -1.59 0.16 0.00 -0.91 0.00 0.00 33.84 32.02 2iiv n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2iiv n PHE 208 N -3.31 0.21 -4.08 3.52 3.72 -0.61 -4.95 117.46 111.95 2iiv n PHE 208 Ca -0.03 0.06 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 2iiv n PHE 208 Cb 0.11 -0.39 -0.01 0.00 -0.94 0.00 0.00 39.48 38.25 2iiv n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2iiv n SER 209 N -1.77 -2.76 -3.51 4.37 7.64 -0.51 -4.91 113.62 112.17 2iiv n SER 209 Ca 0.04 -0.96 -0.10 0.00 1.01 0.00 0.00 58.87 58.86 2iiv n SER 209 Cb 0.39 -3.10 -0.03 0.00 -1.01 0.00 0.00 64.21 60.46 2iiv n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iiv s ALA 210 N -3.48 -1.82 -0.12 -0.43 0.00 -1.14 -4.96 121.76 109.81 2iiv s ALA 210 Ca 0.51 1.12 0.16 0.00 0.00 0.00 0.00 51.96 53.75 2iiv s ALA 210 Cb -0.27 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 2iiv s ALA 210 CO 0.90 -0.57 0.98 -0.92 0.00 0.00 0.00 175.76 176.14 2iiv h TYR 211 N 2.24 0.00 -3.49 0.00 3.20 -1.88 -3.39 116.97 113.65 2iiv h TYR 211 Ca -0.23 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.11 2iiv h TYR 211 Cb 1.22 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.53 2iiv h TYR 211 CO 0.27 0.58 0.66 0.45 -1.64 0.00 0.00 178.16 178.49 2iiv s SER 212 N -5.98 6.84 -0.27 -2.11 0.15 -1.26 -0.46 113.70 110.62 2iiv s SER 212 Ca -0.01 2.51 0.21 0.00 0.70 0.00 0.00 55.95 59.36 2iiv s SER 212 Cb 0.08 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.28 2iiv s SER 212 CO 0.80 -0.55 1.11 0.00 1.20 0.00 0.00 173.24 175.80 2iiv n ALA 213 N 2.16 2.85 -2.74 5.45 0.00 0.18 -4.60 120.51 123.80 2iiv n ALA 213 Ca 0.05 -2.87 -0.17 0.00 0.00 0.00 0.00 53.44 50.45 2iiv n ALA 213 Cb 0.42 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 2iiv n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2iiv s LEU 214 N -3.76 2.19 -0.18 0.00 2.34 -1.24 -1.58 118.68 116.45 2iiv s LEU 214 Ca 0.29 -0.45 -0.05 0.00 0.06 0.00 0.00 54.13 53.98 2iiv s LEU 214 Cb 0.33 -0.41 0.07 0.00 -0.56 0.00 0.00 46.19 45.62 2iiv s LEU 214 CO -0.03 -0.05 0.13 0.26 -1.06 0.00 0.00 176.35 175.60 2iiv s TRP 215 N -0.96 0.06 0.39 3.48 0.51 0.21 -4.97 118.94 117.66 2iiv s TRP 215 Ca -0.02 -0.15 -0.25 0.00 -2.12 0.00 0.00 56.10 53.56 2iiv s TRP 215 Cb -0.08 -0.60 -0.09 0.00 -0.81 0.00 0.00 33.47 31.90 2iiv s TRP 215 CO 0.01 -0.53 1.10 -1.58 -0.51 0.00 0.00 176.95 175.44 2iiv s TRP 216 N 2.19 3.22 0.77 -1.98 0.52 -1.26 -0.75 118.94 121.65 2iiv s TRP 216 Ca 0.03 1.62 -0.11 0.00 0.02 0.00 0.00 56.10 57.66 2iiv s TRP 216 Cb -0.16 -3.25 0.05 0.00 -1.15 0.00 0.00 33.47 28.97 2iiv s TRP 216 CO -0.10 -0.89 1.08 -1.54 0.02 0.00 0.00 176.95 175.53 2iiv s SER 217 N -1.32 4.67 0.27 2.95 1.04 0.07 -4.90 113.70 116.48 2iiv s SER 217 Ca 0.56 1.64 -0.03 0.00 0.48 0.00 0.00 55.95 58.60 2iiv s SER 217 Cb -0.26 -2.40 0.57 0.00 0.10 0.00 0.00 66.02 64.03 2iiv s SER 217 CO 0.33 -1.90 1.61 -0.65 0.98 0.00 0.00 173.24 173.61 2iiv h PRO 218 N -1.04 0.07 -0.74 4.02 0.11 -1.90 -0.87 132.00 131.65 2iiv h PRO 218 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2iiv h PRO 218 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2iiv h PRO 218 CO 0.55 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 2iiv n ASN 219 N -5.40 3.94 0.00 -2.05 0.23 -1.26 -4.37 115.26 106.35 2iiv n ASN 219 Ca 0.18 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 2iiv n ASN 219 Cb 0.59 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2iiv n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2iiv n GLY 220 N 1.67 0.70 0.11 4.83 0.00 -0.33 -4.69 105.19 107.48 2iiv n GLY 220 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 2iiv n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2iiv h THR 221 N 0.00 1.03 -2.96 2.61 2.02 -1.93 -3.45 112.91 110.23 2iiv h THR 221 Ca 0.00 -0.75 -0.62 0.00 0.77 0.00 0.00 66.41 65.81 2iiv h THR 221 Cb 0.00 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 2iiv h THR 221 CO 0.00 0.18 -0.54 -0.36 0.37 0.00 0.00 175.52 175.17 2iiv s PHE 222 N -4.67 3.38 -0.22 3.16 0.08 -1.26 -1.10 117.98 117.35 2iiv s PHE 222 Ca -0.15 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2iiv s PHE 222 Cb 0.02 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.84 2iiv s PHE 222 CO 0.61 0.56 -0.05 -1.17 -0.10 0.00 0.00 175.22 175.07 2iiv s LEU 223 N -2.57 2.30 0.11 -0.37 2.96 -0.16 -0.75 118.68 120.20 2iiv s LEU 223 Ca 0.33 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 2iiv s LEU 223 Cb -0.12 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.41 2iiv s LEU 223 CO 0.26 -0.23 0.38 0.00 -1.32 0.00 0.00 176.35 175.44 2iiv s ALA 224 N 1.46 3.76 0.05 5.97 0.00 0.07 -1.43 121.76 131.65 2iiv s ALA 224 Ca -0.04 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 2iiv s ALA 224 Cb -0.18 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.80 2iiv s ALA 224 CO -0.07 0.62 0.47 1.52 0.00 0.00 0.00 175.76 178.31 2iiv s TYR 225 N -1.54 -0.35 0.22 0.00 1.13 -0.01 0.67 117.35 117.48 2iiv s TYR 225 Ca 0.37 0.35 0.06 0.00 -1.41 0.00 0.00 57.07 56.44 2iiv s TYR 225 Cb -0.13 0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2iiv s TYR 225 CO 0.21 -0.61 0.21 0.00 -2.51 0.00 0.00 175.55 172.85 2iiv s ALA 226 N -2.46 3.65 -0.08 9.51 0.00 -0.62 -0.50 121.76 131.26 2iiv s ALA 226 Ca -0.05 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2iiv s ALA 226 Cb -0.01 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.72 2iiv s ALA 226 CO -0.02 0.33 -0.10 -1.14 0.00 0.00 0.00 175.76 174.83 2iiv s GLN 227 N -3.64 1.64 -0.06 0.00 0.74 0.70 -1.63 119.66 117.41 2iiv s GLN 227 Ca 0.33 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.39 2iiv s GLN 227 Cb -0.09 -1.48 -0.03 0.00 1.10 0.00 0.00 33.01 32.52 2iiv s GLN 227 CO 0.25 -0.09 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.77 2iiv s PHE 228 N 1.06 2.91 -0.27 1.67 0.08 0.61 -1.36 117.98 122.69 2iiv s PHE 228 Ca -0.07 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.00 2iiv s PHE 228 Cb -0.15 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.67 2iiv s PHE 228 CO -0.01 0.32 -0.05 1.21 -0.10 0.00 0.00 175.22 176.59 2iiv s ASN 229 N -0.82 4.24 -0.18 1.36 3.84 -0.21 -0.44 114.94 122.73 2iiv s ASN 229 Ca 0.12 -1.46 0.16 0.00 0.21 0.00 0.00 52.86 51.89 2iiv s ASN 229 Cb -0.11 -1.38 0.69 0.00 -0.55 0.00 0.00 41.25 39.90 2iiv s ASN 229 CO 0.01 -0.25 1.60 0.47 -2.79 0.00 0.00 177.10 176.14 2iiv n ASP 230 N 4.52 4.83 -0.35 -4.21 9.92 -0.06 -1.35 116.55 129.85 2iiv n ASP 230 Ca -0.09 -2.80 0.04 0.00 -0.53 0.00 0.00 54.79 51.40 2iiv n ASP 230 Cb 0.43 -0.60 0.11 0.00 -0.64 0.00 0.00 41.12 40.42 2iiv n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2iiv h THR 231 N 3.26 0.03 -0.67 -3.53 2.02 -1.84 0.13 112.91 112.29 2iiv h THR 231 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2iiv h THR 231 Cb 1.64 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2iiv h THR 231 CO 0.33 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.60 2iiv n GLU 232 N -5.58 3.60 -2.69 6.66 1.02 -1.26 -4.92 120.64 117.46 2iiv n GLU 232 Ca 0.14 -2.87 -0.42 0.00 -0.02 0.00 0.00 57.16 53.99 2iiv n GLU 232 Cb 0.47 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 2iiv n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2iiv s VAL 233 N -1.72 4.82 0.76 2.62 1.01 0.03 -4.67 120.40 123.24 2iiv s VAL 233 Ca 0.51 2.04 -0.13 0.00 0.00 0.00 0.00 61.98 64.40 2iiv s VAL 233 Cb 0.32 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2iiv s VAL 233 CO 0.26 0.09 1.16 -2.84 0.00 0.00 0.00 175.10 173.77 2iiv s PRO 234 N 1.43 2.09 -0.14 2.72 0.02 -1.26 -4.71 135.00 135.15 2iiv s PRO 234 Ca 0.51 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 63.02 2iiv s PRO 234 Cb -0.20 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2iiv s PRO 234 CO 0.24 -1.83 0.04 -0.51 -0.33 0.00 0.00 177.00 174.61 2iiv s LEU 235 N -5.49 3.77 0.15 -5.54 1.43 -1.26 -1.00 118.68 110.73 2iiv s LEU 235 Ca 0.69 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.71 2iiv s LEU 235 Cb -0.24 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 2iiv s LEU 235 CO 0.48 0.27 0.69 -0.51 0.23 0.00 0.00 176.35 177.52 2iiv s ILE 236 N -0.24 4.55 -0.02 -0.59 1.10 0.38 -4.85 121.20 121.54 2iiv s ILE 236 Ca 0.07 1.43 0.05 0.00 -0.51 0.00 0.00 60.65 61.69 2iiv s ILE 236 Cb -0.12 -3.99 -0.01 0.00 0.15 0.00 0.00 42.46 38.49 2iiv s ILE 236 CO 0.02 0.46 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.55 2iiv s GLU 237 N -1.33 1.27 0.10 3.50 2.02 -1.26 -1.60 118.70 121.39 2iiv s GLU 237 Ca 0.35 -0.54 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 2iiv s GLU 237 Cb -0.20 -1.21 0.05 0.00 0.10 0.00 0.00 34.13 32.87 2iiv s GLU 237 CO 0.23 0.31 0.49 1.52 0.02 0.00 0.00 175.26 177.82 2iiv s TYR 238 N -0.29 -0.36 0.35 1.61 1.13 -0.74 -4.97 117.35 114.07 2iiv s TYR 238 Ca 0.05 0.21 -0.23 0.00 -1.41 0.00 0.00 57.07 55.69 2iiv s TYR 238 Cb -0.06 0.35 -0.10 0.00 -1.10 0.00 0.00 41.96 41.05 2iiv s TYR 238 CO -0.00 -0.71 0.91 -1.12 -2.51 0.00 0.00 175.55 172.12 2iiv s SER 239 N -2.45 7.13 -0.11 -0.18 0.01 -1.26 -0.25 113.70 116.58 2iiv s SER 239 Ca -0.01 1.70 0.01 0.00 1.31 0.00 0.00 55.95 58.96 2iiv s SER 239 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2iiv s SER 239 CO -0.08 -0.17 -0.14 0.12 0.41 0.00 0.00 173.24 173.38 2iiv s PHE 240 N -1.83 1.93 -0.00 2.43 5.36 0.19 -4.70 117.98 121.36 2iiv s PHE 240 Ca 0.54 -0.93 0.06 0.00 -0.96 0.00 0.00 56.93 55.64 2iiv s PHE 240 Cb -0.14 -1.41 -0.24 0.00 -0.34 0.00 0.00 43.02 40.88 2iiv s PHE 240 CO 0.19 -0.50 0.82 1.88 -1.46 0.00 0.00 175.22 176.16 2iiv h TYR 241 N 7.55 0.14 -1.20 10.12 -1.99 -1.96 0.46 116.97 130.09 2iiv h TYR 241 Ca -0.32 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.31 2iiv h TYR 241 Cb 1.17 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.89 2iiv h TYR 241 CO 0.48 1.15 0.00 0.45 -0.00 0.00 0.00 178.16 180.23 2iiv n SER 242 N -3.24 -3.61 -4.75 3.88 2.88 -1.26 -4.73 113.62 102.79 2iiv n SER 242 Ca -0.14 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.05 2iiv n SER 242 Cb 1.02 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.53 2iiv n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2iiv s ASP 243 N -4.00 4.95 0.54 -3.46 1.01 -1.26 -4.87 116.67 109.57 2iiv s ASP 243 Ca 0.00 2.25 0.39 0.00 0.71 0.00 0.00 52.55 55.90 2iiv s ASP 243 Cb 0.00 -2.58 1.58 0.00 1.01 0.00 0.00 42.92 42.93 2iiv s ASP 243 CO 0.00 -1.75 1.75 -0.08 0.21 0.00 0.00 175.17 175.30 2iiv h GLU 244 N 0.37 0.02 0.00 8.23 4.81 -2.05 0.78 114.58 126.73 2iiv h GLU 244 Ca -0.49 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2iiv h GLU 244 Cb 1.28 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2iiv h GLU 244 CO 0.53 0.01 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 2iiv h SER 245 N 0.02 0.00 -3.28 1.04 4.64 -1.93 -3.42 113.55 110.61 2iiv h SER 245 Ca 0.66 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.41 2iiv h SER 245 Cb 2.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.63 2iiv h SER 245 CO -0.03 0.00 1.00 -0.22 -0.87 0.00 0.00 176.83 176.71 2iiv s LEU 246 N -5.75 3.73 0.14 5.97 2.96 0.26 -4.91 118.68 121.10 2iiv s LEU 246 Ca 0.01 0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 54.74 2iiv s LEU 246 Cb 0.09 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.26 2iiv s LEU 246 CO 0.49 -1.23 1.63 -0.61 -1.32 0.00 0.00 176.35 175.31 2iiv h GLN 247 N 9.78 0.79 -5.24 1.98 4.15 -1.88 -3.42 115.11 121.27 2iiv h GLN 247 Ca -0.26 -0.21 -0.65 0.00 0.77 0.00 0.00 58.65 58.29 2iiv h GLN 247 Cb 1.09 -0.09 -0.26 0.00 0.21 0.00 0.00 27.48 28.43 2iiv h GLN 247 CO 1.07 0.80 -0.74 0.71 -1.93 0.00 0.00 178.83 178.74 2iiv s TYR 248 N -5.19 2.88 0.66 3.99 2.02 -1.26 -5.10 117.35 115.35 2iiv s TYR 248 Ca -0.13 -0.67 -0.18 0.00 -0.37 0.00 0.00 57.07 55.73 2iiv s TYR 248 Cb 0.11 -1.92 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 2iiv s TYR 248 CO 0.80 -0.27 1.28 -2.14 -1.57 0.00 0.00 175.55 173.65 2iiv s PRO 249 N 0.61 2.48 0.14 -1.71 0.02 -1.26 -4.99 135.00 130.29 2iiv s PRO 249 Ca -0.06 2.01 0.01 0.00 0.02 0.00 0.00 61.00 62.98 2iiv s PRO 249 Cb -0.15 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2iiv s PRO 249 CO 0.03 -1.64 0.30 -1.59 -0.33 0.00 0.00 177.00 173.77 2iiv s LYS 250 N -3.46 3.47 -0.27 5.54 -2.85 0.15 -4.89 119.74 117.43 2iiv s LYS 250 Ca 0.81 -0.47 -0.08 0.00 -1.00 0.00 0.00 55.97 55.22 2iiv s LYS 250 Cb -0.36 -2.95 -0.03 0.00 -2.06 0.00 0.00 37.83 32.44 2iiv s LYS 250 CO 0.40 0.51 0.10 0.99 0.10 0.00 0.00 175.35 177.46 2iiv s THR 251 N -1.71 4.53 0.04 3.79 2.01 -1.26 0.57 115.64 123.60 2iiv s THR 251 Ca 0.36 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 2iiv s THR 251 Cb -0.12 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 2iiv s THR 251 CO 0.28 0.27 0.51 -0.69 -0.69 0.00 0.00 174.62 174.31 2iiv s VAL 252 N 1.64 4.85 -0.03 3.82 1.01 0.65 -4.92 120.40 127.42 2iiv s VAL 252 Ca 0.06 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2iiv s VAL 252 Cb -0.16 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2iiv s VAL 252 CO 0.05 0.56 0.01 0.00 0.00 0.00 0.00 175.10 175.72 2iiv s ARG 253 N -1.04 0.25 -0.01 2.72 3.03 -1.26 -1.79 118.95 120.85 2iiv s ARG 253 Ca 0.27 0.12 0.02 0.00 2.03 0.00 0.00 55.73 58.17 2iiv s ARG 253 Cb -0.18 -0.49 0.00 0.00 -1.03 0.00 0.00 34.95 33.25 2iiv s ARG 253 CO 0.17 -0.17 -0.06 0.54 -1.13 0.00 0.00 175.30 174.65 2iiv s VAL 254 N 1.19 0.50 -0.10 4.99 0.11 -0.63 -4.93 120.40 121.53 2iiv s VAL 254 Ca -0.07 -0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 2iiv s VAL 254 Cb -0.13 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 2iiv s VAL 254 CO -0.02 0.16 1.99 -2.84 -3.33 0.00 0.00 175.10 171.05 2iiv s PRO 255 N 0.13 3.73 -0.20 1.54 0.02 -1.26 -0.47 135.00 138.49 2iiv s PRO 255 Ca -0.01 2.23 -0.04 0.00 0.02 0.00 0.00 61.00 63.20 2iiv s PRO 255 Cb -0.06 -4.21 0.09 0.00 0.02 0.00 0.00 34.50 30.35 2iiv s PRO 255 CO -0.00 -1.41 0.23 -0.47 -0.33 0.00 0.00 177.00 175.01 2iiv s TYR 256 N 5.91 -0.29 -0.41 6.54 6.14 -0.17 -4.49 117.35 130.58 2iiv s TYR 256 Ca 0.89 0.23 -0.28 0.00 0.64 0.00 0.00 57.07 58.55 2iiv s TYR 256 Cb -0.36 -0.36 0.02 0.00 0.42 0.00 0.00 41.96 41.69 2iiv s TYR 256 CO 0.37 -0.61 1.04 -1.25 0.64 0.00 0.00 175.55 175.74 2iiv s PRO 257 N 2.33 3.80 0.71 4.97 0.04 -1.26 -4.56 135.00 141.03 2iiv s PRO 257 Ca 0.07 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.63 2iiv s PRO 257 Cb -0.16 -3.85 0.03 0.00 0.04 0.00 0.00 34.50 30.57 2iiv s PRO 257 CO -0.12 -1.14 1.08 0.15 0.04 0.00 0.00 177.00 177.00 2iiv s LYS 258 N 3.93 2.61 -0.13 4.56 1.02 -1.26 -0.24 119.74 130.24 2iiv s LYS 258 Ca 0.43 0.25 -0.38 0.00 0.02 0.00 0.00 55.97 56.29 2iiv s LYS 258 Cb -0.10 -2.06 -0.16 0.00 -0.52 0.00 0.00 37.83 35.00 2iiv s LYS 258 CO 0.24 -1.13 1.61 0.00 -0.92 0.00 0.00 175.35 175.15 2iiv n ALA 259 N -3.00 -0.35 0.00 5.17 0.00 -0.31 -1.22 120.51 120.80 2iiv n ALA 259 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2iiv n ALA 259 Cb 0.58 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2iiv n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iiv n GLY 260 N 3.60 2.48 3.74 0.00 0.00 -1.26 -4.84 105.19 108.91 2iiv n GLY 260 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2iiv n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iiv s ALA 261 N -2.24 1.39 0.06 4.61 0.00 -0.35 -4.97 121.76 120.25 2iiv s ALA 261 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 2iiv s ALA 261 Cb 0.00 -2.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.15 2iiv s ALA 261 CO 0.00 -2.89 1.39 0.08 0.00 0.00 0.00 175.76 174.34 2iiv s VAL 262 N -3.33 3.55 0.40 0.00 1.01 -1.26 -4.91 120.40 115.86 2iiv s VAL 262 Ca 0.70 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 63.71 2iiv s VAL 262 Cb -0.10 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2iiv s VAL 262 CO 0.55 0.04 0.62 0.20 0.00 0.00 0.00 175.10 176.51 2iiv s ASN 263 N 1.50 6.15 0.65 3.32 0.01 -1.26 -4.44 114.94 120.88 2iiv s ASN 263 Ca 0.64 0.48 -0.13 0.00 -0.71 0.00 0.00 52.86 53.14 2iiv s ASN 263 Cb -0.34 -1.92 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 2iiv s ASN 263 CO 0.28 -0.46 1.06 -2.16 -1.51 0.00 0.00 177.10 174.31 2iiv s PRO 264 N -4.46 3.09 0.29 -0.60 0.04 -1.26 -4.79 135.00 127.32 2iiv s PRO 264 Ca 0.44 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.61 2iiv s PRO 264 Cb -0.10 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2iiv s PRO 264 CO 0.38 -0.98 0.28 0.95 0.04 0.00 0.00 177.00 177.67 2iiv s THR 265 N -2.79 4.11 0.01 1.26 -4.23 -0.45 -4.91 115.64 108.64 2iiv s THR 265 Ca 0.60 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2iiv s THR 265 Cb -0.15 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2iiv s THR 265 CO 0.47 -0.25 -0.01 0.54 -0.54 0.00 0.00 174.62 174.82 2iiv s VAL 266 N -2.19 0.08 0.07 2.29 0.11 -1.26 -1.04 120.40 118.46 2iiv s VAL 266 Ca 0.38 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2iiv s VAL 266 Cb -0.07 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2iiv s VAL 266 CO 0.27 -0.38 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.04 2iiv s LYS 267 N -1.11 0.70 -0.05 1.54 1.02 -0.46 -4.96 119.74 116.42 2iiv s LYS 267 Ca -0.12 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 54.87 2iiv s LYS 267 Cb -0.08 -0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 36.93 2iiv s LYS 267 CO -0.01 0.03 -0.21 0.12 -0.92 0.00 0.00 175.35 174.36 2iiv s PHE 268 N -2.45 2.05 0.08 3.18 5.36 -1.26 -0.21 117.98 124.73 2iiv s PHE 268 Ca 0.01 -0.58 0.03 0.00 -0.96 0.00 0.00 56.93 55.43 2iiv s PHE 268 Cb -0.03 -1.36 -0.03 0.00 -0.34 0.00 0.00 43.02 41.26 2iiv s PHE 268 CO -0.02 -0.18 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.41 2iiv s PHE 269 N -0.10 0.97 -0.03 10.12 0.40 0.35 -1.65 117.98 128.04 2iiv s PHE 269 Ca -0.03 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.69 2iiv s PHE 269 Cb -0.12 -0.55 0.01 0.00 0.51 0.00 0.00 43.02 42.87 2iiv s PHE 269 CO 0.03 -0.03 -0.07 0.08 0.70 0.00 0.00 175.22 175.93 2iiv s VAL 270 N -2.24 0.64 0.02 -0.44 1.01 0.54 -0.83 120.40 119.09 2iiv s VAL 270 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2iiv s VAL 270 Cb -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2iiv s VAL 270 CO -0.00 0.22 -0.15 0.54 0.00 0.00 0.00 175.10 175.71 2iiv s VAL 271 N 0.51 1.17 -0.31 2.92 0.11 -0.51 0.22 120.40 124.51 2iiv s VAL 271 Ca -0.07 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 57.89 2iiv s VAL 271 Cb -0.11 -1.02 -0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2iiv s VAL 271 CO 0.00 0.14 0.71 0.21 -3.33 0.00 0.00 175.10 172.83 2iiv s ASN 272 N -0.84 6.58 0.00 3.54 3.84 -1.26 -0.99 114.94 125.81 2iiv s ASN 272 Ca 0.04 0.54 0.27 0.00 0.21 0.00 0.00 52.86 53.92 2iiv s ASN 272 Cb -0.07 -2.37 0.89 0.00 -0.55 0.00 0.00 41.25 39.15 2iiv s ASN 272 CO 0.01 -0.55 1.67 0.35 -2.79 0.00 0.00 177.10 175.79 2iiv n THR 273 N 5.46 0.00 0.78 -5.21 -2.24 -0.26 -3.44 114.28 109.37 2iiv n THR 273 Ca 0.01 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2iiv n THR 273 Cb 0.48 -0.08 0.39 0.00 -2.10 0.00 0.00 70.33 69.02 2iiv n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2iiv n ASP 274 N -1.41 0.51 -2.27 3.42 8.00 -1.25 -3.99 116.55 119.56 2iiv n ASP 274 Ca 0.07 0.32 -0.22 0.00 0.71 0.00 0.00 54.79 55.67 2iiv n ASP 274 Cb 0.33 -0.32 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2iiv n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2iiv n SER 275 N -1.89 4.35 -4.86 -2.24 3.41 -1.22 -5.06 113.62 106.11 2iiv n SER 275 Ca 0.05 -3.52 -0.32 0.00 -0.26 0.00 0.00 58.87 54.82 2iiv n SER 275 Cb 0.39 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2iiv n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2iiv s LEU 276 N -3.58 4.12 -0.02 1.04 1.43 -1.26 -4.96 118.68 115.46 2iiv s LEU 276 Ca 0.46 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 2iiv s LEU 276 Cb 0.40 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 2iiv s LEU 276 CO -0.04 -0.14 -0.14 -0.55 0.23 0.00 0.00 176.35 175.72 2iiv s SER 277 N -2.30 1.64 0.00 2.29 0.15 -1.26 -5.01 113.70 109.21 2iiv s SER 277 Ca 0.51 -0.26 0.31 0.00 0.70 0.00 0.00 55.95 57.21 2iiv s SER 277 Cb -0.11 -0.26 1.61 0.00 -1.71 0.00 0.00 66.02 65.55 2iiv s SER 277 CO 0.19 0.15 2.08 -1.54 1.20 0.00 0.00 173.24 175.33 2iiv n SER 278 N 2.87 0.08 -0.04 5.45 3.41 -1.26 -3.32 113.62 120.82 2iiv n SER 278 Ca -0.15 -0.49 0.02 0.00 -0.26 0.00 0.00 58.87 57.99 2iiv n SER 278 Cb 0.55 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 2iiv n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2iiv n VAL 279 N -1.13 0.44 -4.60 -3.33 0.31 -1.26 -4.98 118.33 103.77 2iiv n VAL 279 Ca 0.17 -0.49 -0.26 0.00 -0.01 0.00 0.00 64.34 63.75 2iiv n VAL 279 Cb 0.21 -0.17 -0.14 0.00 -0.91 0.00 0.00 33.84 32.82 2iiv n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2iiv s THR 280 N -2.83 1.83 0.00 2.52 2.01 -1.21 -5.11 115.64 112.85 2iiv s THR 280 Ca -0.07 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 2iiv s THR 280 Cb 0.08 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 2iiv s THR 280 CO 0.67 0.18 1.24 0.20 -0.69 0.00 0.00 174.62 176.21 2iiv s ASN 281 N -1.41 7.02 0.47 3.53 0.01 -1.26 -4.24 114.94 119.06 2iiv s ASN 281 Ca 0.09 1.95 -0.21 0.00 -0.71 0.00 0.00 52.86 53.98 2iiv s ASN 281 Cb -0.09 -2.57 -0.12 0.00 0.41 0.00 0.00 41.25 38.88 2iiv s ASN 281 CO 0.03 -0.57 0.50 0.00 -1.51 0.00 0.00 177.10 175.55 2iiv n ALA 282 N 4.72 -1.47 -2.94 0.60 0.00 -1.26 -4.96 120.51 115.21 2iiv n ALA 282 Ca 0.11 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 2iiv n ALA 282 Cb 0.46 -1.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 2iiv n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2iiv s THR 283 N -1.58 4.53 -0.16 0.00 2.01 -1.26 -5.01 115.64 114.16 2iiv s THR 283 Ca 0.64 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.46 2iiv s THR 283 Cb -0.55 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2iiv s THR 283 CO 0.58 0.36 0.12 -0.44 -0.69 0.00 0.00 174.62 174.55 2iiv s SER 284 N 1.32 6.20 -0.25 3.53 0.01 -1.26 -4.46 113.70 118.79 2iiv s SER 284 Ca 0.05 0.31 -0.13 0.00 1.31 0.00 0.00 55.95 57.50 2iiv s SER 284 Cb -0.15 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2iiv s SER 284 CO 0.04 0.28 0.27 -0.63 0.41 0.00 0.00 173.24 173.61 2iiv s ILE 285 N -0.24 5.27 0.15 1.44 -1.09 0.13 -4.88 121.20 121.99 2iiv s ILE 285 Ca 0.11 0.38 -0.24 0.00 -2.23 0.00 0.00 60.65 58.67 2iiv s ILE 285 Cb -0.12 -3.60 -0.08 0.00 -1.58 0.00 0.00 42.46 37.08 2iiv s ILE 285 CO 0.01 0.25 0.73 -1.58 -1.23 0.00 0.00 174.94 173.12 2iiv s GLN 286 N 1.55 4.46 -0.25 2.79 0.74 -1.26 -0.34 119.66 127.35 2iiv s GLN 286 Ca 0.12 1.05 -0.01 0.00 0.05 0.00 0.00 55.36 56.56 2iiv s GLN 286 Cb -0.15 -3.22 0.03 0.00 1.10 0.00 0.00 33.01 30.77 2iiv s GLN 286 CO 0.08 0.57 -0.06 0.42 -0.55 0.00 0.00 175.29 175.75 2iiv s ILE 287 N -1.17 2.84 0.41 -2.34 1.01 -0.66 -4.88 121.20 116.40 2iiv s ILE 287 Ca 0.35 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 2iiv s ILE 287 Cb -0.22 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.72 2iiv s ILE 287 CO 0.24 0.16 0.78 0.42 0.00 0.00 0.00 174.94 176.55 2iiv s THR 288 N 1.30 4.77 0.51 2.92 -4.23 -1.26 -4.16 115.64 115.48 2iiv s THR 288 Ca -0.01 0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 61.00 2iiv s THR 288 Cb -0.17 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 69.86 2iiv s THR 288 CO -0.04 -0.53 0.99 0.00 -0.54 0.00 0.00 174.62 174.50 2iiv s ALA 289 N -2.38 3.03 0.80 3.99 0.00 -1.26 -5.02 121.76 120.93 2iiv s ALA 289 Ca 0.52 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.58 2iiv s ALA 289 Cb -0.10 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.96 2iiv s ALA 289 CO 0.31 -0.23 1.16 -0.35 0.00 0.00 0.00 175.76 176.65 2iiv n PRO 290 N -1.48 0.22 0.10 0.00 -0.04 -1.26 -4.65 135.00 127.89 2iiv n PRO 290 Ca 0.07 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.76 2iiv n PRO 290 Cb 0.54 -2.41 0.55 0.00 -0.04 0.00 0.00 33.50 32.14 2iiv n PRO 290 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iiv h ALA 291 N -0.83 1.95 0.00 0.55 0.00 -1.98 0.95 119.26 119.90 2iiv h ALA 291 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2iiv h ALA 291 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2iiv h ALA 291 CO 0.46 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 2iiv n SER 292 N -4.49 0.10 -0.10 0.00 3.41 -1.26 -2.21 113.62 109.06 2iiv n SER 292 Ca 0.02 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 59.00 2iiv n SER 292 Cb 0.17 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 2iiv n SER 292 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2iiv n MET 293 N -1.61 0.47 0.17 4.33 0.00 0.22 -4.49 117.12 116.21 2iiv n MET 293 Ca 0.02 0.14 0.13 0.00 0.00 0.00 0.00 57.70 57.99 2iiv n MET 293 Cb 0.11 -1.33 0.62 0.00 0.00 0.00 0.00 33.22 32.62 2iiv n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2iiv h LEU 294 N -0.27 0.00 -2.19 -0.89 3.38 -0.98 -2.74 115.31 111.62 2iiv h LEU 294 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2iiv h LEU 294 Cb 1.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 2iiv h LEU 294 CO -0.16 0.00 -0.06 0.16 0.09 0.00 0.00 178.44 178.47 2iiv h ILE 295 N 0.00 0.35 -2.10 1.22 3.07 -1.67 -3.46 117.51 114.92 2iiv h ILE 295 Ca 0.00 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 66.07 2iiv h ILE 295 Cb 0.15 1.24 -0.00 0.00 -0.27 0.00 0.00 36.82 37.93 2iiv h ILE 295 CO 0.00 0.06 0.01 0.61 -1.05 0.00 0.00 178.15 177.78 2iiv n GLY 296 N -0.77 2.27 3.72 0.16 0.00 -1.03 -5.14 105.19 104.39 2iiv n GLY 296 Ca -0.02 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 2iiv n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2iiv n ASP 297 N -1.37 2.56 -3.18 1.61 8.00 -1.26 -4.93 116.55 117.99 2iiv n ASP 297 Ca -0.00 1.02 -0.09 0.00 0.71 0.00 0.00 54.79 56.43 2iiv n ASP 297 Cb 0.04 -1.54 0.01 0.00 -0.02 0.00 0.00 41.12 39.61 2iiv n ASP 297 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2iiv s HIS 298 N -1.27 0.16 0.08 1.24 -3.43 -1.26 -1.63 115.29 109.18 2iiv s HIS 298 Ca 0.67 -0.74 0.01 0.00 -0.80 0.00 0.00 55.06 54.21 2iiv s HIS 298 Cb -0.45 0.70 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 2iiv s HIS 298 CO 0.53 -1.44 -0.06 0.71 -2.00 0.00 0.00 174.74 172.47 2iiv s TYR 299 N -2.76 0.80 -0.23 0.38 2.02 0.16 -4.83 117.35 112.88 2iiv s TYR 299 Ca 0.16 -0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 55.88 2iiv s TYR 299 Cb -0.05 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 2iiv s TYR 299 CO 0.11 -0.17 0.23 -1.17 -1.57 0.00 0.00 175.55 172.99 2iiv s LEU 300 N -2.76 4.12 -0.00 -1.29 2.96 -1.26 -0.69 118.68 119.76 2iiv s LEU 300 Ca 0.07 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2iiv s LEU 300 Cb 0.03 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2iiv s LEU 300 CO -0.05 0.02 0.06 0.00 -1.32 0.00 0.00 176.35 175.06 2iiv s ASP 302 N -1.29 -0.67 -0.06 0.00 -1.08 -1.19 -4.88 116.67 107.50 2iiv s ASP 302 Ca 0.00 1.16 -0.00 0.00 -0.52 0.00 0.00 52.55 53.18 2iiv s ASP 302 Cb 0.01 1.14 0.03 0.00 -1.46 0.00 0.00 42.92 42.63 2iiv s ASP 302 CO 0.06 -0.33 -0.01 -0.69 0.52 0.00 0.00 175.17 174.73 2iiv s VAL 303 N -0.07 0.36 -0.12 1.11 1.01 -1.26 -1.33 120.40 120.10 2iiv s VAL 303 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2iiv s VAL 303 Cb -0.04 -0.48 0.06 0.00 0.00 0.00 0.00 36.38 35.93 2iiv s VAL 303 CO 0.03 0.23 0.22 -0.89 0.00 0.00 0.00 175.10 174.69 2iiv s THR 304 N 1.57 -0.35 0.29 3.92 2.01 -0.58 -5.03 115.64 117.47 2iiv s THR 304 Ca -0.01 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 2iiv s THR 304 Cb -0.13 -0.42 -0.10 0.00 0.01 0.00 0.00 72.50 71.86 2iiv s THR 304 CO -0.03 0.08 1.21 0.26 -0.69 0.00 0.00 174.62 175.45 2iiv s TRP 305 N 2.36 3.32 -0.26 4.92 0.52 -1.26 -1.25 118.94 127.29 2iiv s TRP 305 Ca 0.03 1.53 -0.08 0.00 0.02 0.00 0.00 56.10 57.61 2iiv s TRP 305 Cb -0.13 -3.48 -0.15 0.00 -1.15 0.00 0.00 33.47 28.56 2iiv s TRP 305 CO -0.08 -1.23 -0.24 0.00 0.02 0.00 0.00 176.95 175.41 2iiv n ALA 306 N 1.15 1.26 -3.37 0.98 0.00 0.86 -4.88 120.51 116.51 2iiv n ALA 306 Ca -0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 53.44 52.33 2iiv n ALA 306 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 2iiv n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2iiv n THR 307 N -3.83 0.00 0.30 0.00 -2.24 -0.90 -4.55 114.28 103.07 2iiv n THR 307 Ca -0.49 -0.68 0.18 0.00 -2.27 0.00 0.00 64.05 60.80 2iiv n THR 307 Cb 0.93 0.38 0.88 0.00 -2.10 0.00 0.00 70.33 70.41 2iiv n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2iiv h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.12 115.11 110.32 2iiv h GLN 308 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2iiv h GLN 308 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2iiv h GLN 308 CO 0.12 0.00 -0.24 0.39 -0.95 0.00 0.00 178.83 178.15 2iiv n GLU 309 N -2.89 0.54 -3.96 1.46 1.02 -1.26 -4.87 120.64 110.68 2iiv n GLU 309 Ca -0.01 -1.23 -0.21 0.00 -0.02 0.00 0.00 57.16 55.69 2iiv n GLU 309 Cb 0.17 -0.74 -0.17 0.00 -0.02 0.00 0.00 31.44 30.68 2iiv n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2iiv s ARG 310 N -0.64 0.71 -0.02 3.49 3.52 -1.18 -0.60 118.95 124.23 2iiv s ARG 310 Ca 0.06 0.00 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 2iiv s ARG 310 Cb 0.05 -0.89 -0.02 0.00 -1.56 0.00 0.00 34.95 32.53 2iiv s ARG 310 CO 0.01 -0.19 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.59 2iiv s ILE 311 N 1.42 1.65 0.03 4.11 2.07 0.32 -0.10 121.20 130.71 2iiv s ILE 311 Ca -0.03 -0.89 0.04 0.00 -1.41 0.00 0.00 60.65 58.35 2iiv s ILE 311 Cb -0.13 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.05 2iiv s ILE 311 CO -0.03 0.47 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.47 2iiv s SER 312 N -0.48 4.68 -0.00 4.50 1.04 -0.38 -0.45 113.70 122.60 2iiv s SER 312 Ca 0.08 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2iiv s SER 312 Cb -0.08 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.96 2iiv s SER 312 CO -0.01 0.26 -0.02 -0.76 0.98 0.00 0.00 173.24 173.69 2iiv s LEU 313 N -1.64 1.90 -0.06 2.42 1.02 -0.22 -1.53 118.68 120.57 2iiv s LEU 313 Ca 0.19 -0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.34 2iiv s LEU 313 Cb -0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 46.19 45.96 2iiv s LEU 313 CO 0.10 0.01 -0.19 -1.10 0.02 0.00 0.00 176.35 175.19 2iiv s GLN 314 N 0.08 2.61 0.14 1.70 -0.21 -0.44 0.04 119.66 123.58 2iiv s GLN 314 Ca -0.00 -0.78 0.09 0.00 0.02 0.00 0.00 55.36 54.69 2iiv s GLN 314 Cb -0.02 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.63 2iiv s GLN 314 CO -0.00 0.48 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.89 2iiv s TRP 315 N -0.38 2.50 -0.03 0.91 0.52 0.11 -1.42 118.94 121.15 2iiv s TRP 315 Ca 0.03 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.89 2iiv s TRP 315 Cb -0.12 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2iiv s TRP 315 CO 0.02 0.42 -0.06 -1.17 0.02 0.00 0.00 176.95 176.18 2iiv s LEU 316 N -2.35 1.63 0.62 2.99 2.96 0.13 -0.66 118.68 124.01 2iiv s LEU 316 Ca 0.19 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.81 2iiv s LEU 316 Cb -0.10 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 2iiv s LEU 316 CO 0.11 0.01 1.08 -0.13 -1.32 0.00 0.00 176.35 176.10 2iiv s ARG 317 N 0.44 3.08 0.44 1.98 0.52 -0.66 0.36 118.95 125.11 2iiv s ARG 317 Ca -0.06 1.29 0.13 0.00 -0.52 0.00 0.00 55.73 56.56 2iiv s ARG 317 Cb -0.10 -1.99 1.02 0.00 0.52 0.00 0.00 34.95 34.40 2iiv s ARG 317 CO 0.00 -1.01 2.02 -0.09 0.02 0.00 0.00 175.30 176.24 2iiv h ARG 318 N 0.24 0.38 -5.45 3.54 2.43 -1.63 -2.99 114.38 110.90 2iiv h ARG 318 Ca -0.47 -0.02 -0.63 0.00 -0.81 0.00 0.00 59.98 58.05 2iiv h ARG 318 Cb 1.23 -0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.55 2iiv h ARG 318 CO 0.56 0.25 0.59 0.42 -1.51 0.00 0.00 179.97 180.27 2iiv s ILE 319 N -5.37 4.33 0.00 1.20 -1.09 -1.26 -4.79 121.20 114.22 2iiv s ILE 319 Ca -0.07 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2iiv s ILE 319 Cb 0.19 -4.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 2iiv s ILE 319 CO 0.73 -1.48 0.86 0.00 -1.23 0.00 0.00 174.94 173.83 2iiv n GLN 320 N 7.69 0.46 -0.13 2.79 6.02 -1.13 -3.80 117.38 129.28 2iiv n GLN 320 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.06 2iiv n GLN 320 Cb 0.46 -1.27 0.14 0.00 1.02 0.00 0.00 30.24 30.59 2iiv n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2iiv n ASN 321 N 1.65 2.61 -3.61 1.08 0.23 -1.26 -0.95 115.26 115.01 2iiv n ASN 321 Ca 0.00 -2.87 -0.14 0.00 -0.53 0.00 0.00 54.58 51.04 2iiv n ASN 321 Cb 0.23 -0.38 -0.13 0.00 -2.08 0.00 0.00 39.78 37.42 2iiv n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2iiv s TYR 322 N -2.51 -0.44 0.12 -2.53 6.14 -1.25 -1.73 117.35 115.15 2iiv s TYR 322 Ca 0.29 0.84 0.04 0.00 0.64 0.00 0.00 57.07 58.87 2iiv s TYR 322 Cb 0.24 -0.08 -0.04 0.00 0.42 0.00 0.00 41.96 42.50 2iiv s TYR 322 CO 0.04 -0.43 -0.09 -1.54 0.64 0.00 0.00 175.55 174.17 2iiv s SER 323 N 2.42 1.50 -0.02 4.32 1.04 -0.34 -1.66 113.70 120.97 2iiv s SER 323 Ca 0.03 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2iiv s SER 323 Cb -0.13 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.02 2iiv s SER 323 CO -0.10 -0.34 -0.04 -0.69 0.98 0.00 0.00 173.24 173.05 2iiv s VAL 324 N -3.06 0.40 -0.17 5.02 1.01 0.17 -1.55 120.40 122.21 2iiv s VAL 324 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2iiv s VAL 324 Cb 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2iiv s VAL 324 CO -0.01 0.15 0.02 -0.32 0.00 0.00 0.00 175.10 174.94 2iiv s MET 325 N 0.37 3.83 -0.02 2.72 1.75 0.09 0.06 119.30 128.10 2iiv s MET 325 Ca -0.04 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 2iiv s MET 325 Cb -0.08 -3.08 -0.03 0.00 2.84 0.00 0.00 34.83 34.48 2iiv s MET 325 CO -0.00 0.24 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.06 2iiv s ASP 326 N 0.41 4.89 -0.22 1.11 1.01 0.11 -1.52 116.67 122.45 2iiv s ASP 326 Ca -0.00 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.23 2iiv s ASP 326 Cb -0.13 -1.23 0.05 0.00 1.01 0.00 0.00 42.92 42.61 2iiv s ASP 326 CO 0.02 0.30 -0.11 -0.63 0.21 0.00 0.00 175.17 174.96 2iiv s ILE 327 N -0.99 1.88 -0.07 0.77 1.01 -1.26 -1.06 121.20 121.49 2iiv s ILE 327 Ca 0.17 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.57 2iiv s ILE 327 Cb -0.11 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2iiv s ILE 327 CO 0.07 0.11 -0.09 0.00 0.00 0.00 0.00 174.94 175.03 2iiv s ASP 329 N -0.73 3.56 0.08 0.00 1.11 -0.18 -0.52 116.67 119.99 2iiv s ASP 329 Ca 0.11 -0.34 -0.30 0.00 0.18 0.00 0.00 52.55 52.20 2iiv s ASP 329 Cb -0.11 -0.60 -0.06 0.00 1.07 0.00 0.00 42.92 43.22 2iiv s ASP 329 CO 0.01 0.33 1.17 -0.47 1.18 0.00 0.00 175.17 177.40 2iiv s TYR 330 N -0.69 3.47 -0.52 4.23 5.04 0.23 -1.68 117.35 127.43 2iiv s TYR 330 Ca 0.11 1.36 -0.16 0.00 -2.44 0.00 0.00 57.07 55.94 2iiv s TYR 330 Cb -0.10 -3.39 0.11 0.00 0.35 0.00 0.00 41.96 38.93 2iiv s TYR 330 CO 0.00 -1.12 0.50 0.34 -1.34 0.00 0.00 175.55 173.92 2iiv s ASP 331 N 0.87 6.18 0.53 4.32 -1.08 0.54 -4.95 116.67 123.08 2iiv s ASP 331 Ca 0.57 -1.57 0.23 0.00 -0.52 0.00 0.00 52.55 51.25 2iiv s ASP 331 Cb -0.29 -2.22 1.38 0.00 -1.46 0.00 0.00 42.92 40.33 2iiv s ASP 331 CO 0.30 -0.82 2.06 -0.08 0.52 0.00 0.00 175.17 177.14 2iiv h GLU 332 N 8.88 0.00 0.01 4.34 4.81 -1.95 1.78 114.58 132.46 2iiv h GLU 332 Ca -0.29 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 2iiv h GLU 332 Cb 1.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2iiv h GLU 332 CO 0.99 0.00 -1.46 0.66 -0.73 0.00 0.00 179.01 178.48 2iiv h SER 333 N 0.00 0.05 0.36 1.04 4.64 -1.96 -3.36 113.55 114.32 2iiv h SER 333 Ca 0.15 -0.07 -0.32 0.00 -0.47 0.00 0.00 61.79 61.08 2iiv h SER 333 Cb 0.63 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 2iiv h SER 333 CO -0.00 1.06 -1.83 -0.24 -0.87 0.00 0.00 176.83 174.95 2iiv n SER 334 N -3.20 1.17 0.00 4.97 2.88 -0.75 -4.95 113.62 113.75 2iiv n SER 334 Ca -0.11 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2iiv n SER 334 Cb 1.01 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 2iiv n SER 334 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2iiv n GLY 335 N 1.69 0.62 3.98 0.46 0.00 0.60 -5.00 105.19 107.54 2iiv n GLY 335 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 2iiv n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iiv s ARG 336 N -0.17 2.68 -0.16 1.61 1.81 -1.23 -4.86 118.95 118.62 2iiv s ARG 336 Ca 0.00 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 2iiv s ARG 336 Cb 0.00 -2.65 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 2iiv s ARG 336 CO 0.00 -0.35 -0.16 -1.58 -0.68 0.00 0.00 175.30 172.53 2iiv s TRP 337 N -2.43 2.78 -0.08 -0.53 0.52 -1.26 -0.34 118.94 117.61 2iiv s TRP 337 Ca 0.54 -1.19 0.03 0.00 0.02 0.00 0.00 56.10 55.51 2iiv s TRP 337 Cb -0.08 -1.91 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2iiv s TRP 337 CO 0.32 -0.56 -0.18 -0.80 0.02 0.00 0.00 176.95 175.75 2iiv s ASN 338 N 0.98 3.64 -0.51 2.95 -0.87 -0.68 -4.90 114.94 115.55 2iiv s ASN 338 Ca -0.02 -0.36 -0.02 0.00 -1.57 0.00 0.00 52.86 50.88 2iiv s ASN 338 Cb -0.15 -1.09 0.13 0.00 -0.02 0.00 0.00 41.25 40.12 2iiv s ASN 338 CO -0.03 0.25 0.30 0.00 -2.57 0.00 0.00 177.10 175.05 2iiv n LEU 340 N 3.98 4.41 0.13 0.00 4.77 -1.25 -4.89 117.00 124.15 2iiv n LEU 340 Ca 0.03 1.14 0.04 0.00 -0.03 0.00 0.00 56.01 57.19 2iiv n LEU 340 Cb 0.39 -1.60 0.47 0.00 -2.33 0.00 0.00 43.42 40.35 2iiv n LEU 340 CO 0.33 0.19 1.01 1.62 -1.33 0.00 0.00 177.39 179.20 2iiv h VAL 341 N 3.40 1.11 0.00 4.08 3.04 -1.98 -0.64 116.25 125.27 2iiv h VAL 341 Ca -0.47 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.80 2iiv h VAL 341 Cb 1.22 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2iiv h VAL 341 CO 0.81 0.14 0.00 0.00 -1.01 0.00 0.00 177.57 177.51 2iiv h ALA 342 N 1.77 1.00 -0.60 3.17 0.00 -1.96 -0.67 119.26 121.97 2iiv h ALA 342 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2iiv h ALA 342 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2iiv h ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2iiv n ARG 343 N -2.53 3.05 -2.87 0.00 1.74 -0.25 -4.39 116.66 111.42 2iiv n ARG 343 Ca -0.01 -2.60 -0.39 0.00 -0.77 0.00 0.00 57.85 54.08 2iiv n ARG 343 Cb 0.09 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 2iiv n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2iiv s GLN 344 N -1.32 4.67 -0.12 5.56 -0.21 -0.26 -4.14 119.66 123.83 2iiv s GLN 344 Ca 0.44 1.29 -0.00 0.00 0.02 0.00 0.00 55.36 57.10 2iiv s GLN 344 Cb 0.25 -3.19 0.03 0.00 1.00 0.00 0.00 33.01 31.09 2iiv s GLN 344 CO 0.26 0.51 -0.08 -1.01 -2.12 0.00 0.00 175.29 172.84 2iiv s HIS 345 N -1.24 1.58 -0.02 0.91 3.76 -0.58 -4.92 115.29 114.79 2iiv s HIS 345 Ca 0.40 -0.82 -0.16 0.00 -0.15 0.00 0.00 55.06 54.33 2iiv s HIS 345 Cb -0.23 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.12 2iiv s HIS 345 CO 0.28 -0.54 0.43 0.42 -0.85 0.00 0.00 174.74 174.48 2iiv s ILE 346 N 1.68 5.04 -0.13 0.60 1.01 -1.26 -0.73 121.20 127.40 2iiv s ILE 346 Ca 0.05 0.88 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 2iiv s ILE 346 Cb -0.13 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.64 2iiv s ILE 346 CO -0.09 0.53 0.00 -0.70 0.00 0.00 0.00 174.94 174.69 2iiv s GLU 347 N -0.74 0.77 0.26 2.79 2.12 -0.59 -5.01 118.70 118.30 2iiv s GLU 347 Ca 0.24 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.40 2iiv s GLU 347 Cb -0.17 -1.57 -0.05 0.00 0.26 0.00 0.00 34.13 32.60 2iiv s GLU 347 CO 0.13 -0.45 0.08 0.00 -0.54 0.00 0.00 175.26 174.48 2iiv s MET 348 N 1.88 1.43 -0.00 4.30 0.23 -1.26 -1.19 119.30 124.68 2iiv s MET 348 Ca 0.02 -1.77 0.02 0.00 -1.03 0.00 0.00 55.69 52.93 2iiv s MET 348 Cb -0.14 -0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 32.75 2iiv s MET 348 CO -0.07 -0.25 -0.08 0.45 -2.03 0.00 0.00 175.02 173.05 2iiv s SER 349 N -3.34 0.89 -0.03 -1.18 0.15 -0.71 -4.99 113.70 104.50 2iiv s SER 349 Ca 0.36 -0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.07 2iiv s SER 349 Cb 0.08 -0.10 -0.31 0.00 -1.71 0.00 0.00 66.02 63.98 2iiv s SER 349 CO 0.13 0.09 0.45 0.35 1.20 0.00 0.00 173.24 175.46 2iiv n THR 350 N 2.87 0.00 0.11 6.45 -2.24 -1.26 -4.52 114.28 115.69 2iiv n THR 350 Ca -0.13 -0.45 0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2iiv n THR 350 Cb 0.57 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.73 2iiv n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2iiv n THR 351 N -2.18 0.00 -0.55 4.28 -2.24 -1.26 -5.07 114.28 107.26 2iiv n THR 351 Ca -0.03 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2iiv n THR 351 Cb 0.52 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2iiv n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iiv n GLY 352 N 1.40 2.75 3.98 3.38 0.00 -1.26 -4.81 105.19 110.63 2iiv n GLY 352 Ca -0.03 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 2iiv n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2iiv s TRP 353 N -0.24 1.39 -0.20 1.61 -2.14 -1.26 -4.56 118.94 113.54 2iiv s TRP 353 Ca 0.00 -0.20 -0.11 0.00 2.66 0.00 0.00 56.10 58.46 2iiv s TRP 353 Cb 0.00 -3.28 -0.05 0.00 -3.10 0.00 0.00 33.47 27.04 2iiv s TRP 353 CO 0.00 -2.04 0.17 0.08 -2.66 0.00 0.00 176.95 172.50 2iiv s VAL 354 N -3.36 5.37 0.00 -0.66 1.01 -0.12 -4.72 120.40 117.92 2iiv s VAL 354 Ca 0.69 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2iiv s VAL 354 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2iiv s VAL 354 CO 0.47 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.59 2iiv n GLY 355 N 3.66 -1.74 0.24 4.51 0.00 -1.26 -3.40 105.19 107.20 2iiv n GLY 355 Ca -0.15 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 2iiv n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2iiv h ARG 356 N 0.00 -0.51 0.00 1.61 3.08 -1.95 -3.39 114.38 113.22 2iiv h ARG 356 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2iiv h ARG 356 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2iiv h ARG 356 CO 0.00 -0.22 -0.00 1.19 -1.07 0.00 0.00 179.97 179.87 2iiv n PHE 357 N -5.22 0.00 -3.61 3.04 3.72 -1.26 -4.90 117.46 109.24 2iiv n PHE 357 Ca -0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.26 2iiv n PHE 357 Cb 0.28 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 2iiv n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2iiv s ARG 358 N -0.68 0.24 0.21 -1.08 1.70 -1.25 -5.01 118.95 113.08 2iiv s ARG 358 Ca 0.00 -0.09 -0.32 0.00 -0.47 0.00 0.00 55.73 54.85 2iiv s ARG 358 Cb 0.00 0.11 -0.14 0.00 -0.57 0.00 0.00 34.95 34.35 2iiv s ARG 358 CO 0.00 -0.11 1.27 -2.30 -1.08 0.00 0.00 175.30 173.09 2iiv n PRO 359 N -0.08 1.60 -0.89 3.89 -0.02 -1.22 -4.32 135.00 133.96 2iiv n PRO 359 Ca 0.01 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 2iiv n PRO 359 Cb 0.58 -2.14 0.16 0.00 -0.02 0.00 0.00 33.50 32.08 2iiv n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2iiv s SER 360 N 0.11 3.13 0.11 2.55 1.04 -1.26 -4.90 113.70 114.48 2iiv s SER 360 Ca 0.70 1.91 -0.16 0.00 0.48 0.00 0.00 55.95 58.88 2iiv s SER 360 Cb -0.75 -2.47 -0.07 0.00 0.10 0.00 0.00 66.02 62.84 2iiv s SER 360 CO 0.51 -2.92 0.54 -1.83 0.98 0.00 0.00 173.24 170.52 2iiv s GLU 361 N -4.73 4.05 0.46 4.02 1.03 -1.26 -4.95 118.70 117.32 2iiv s GLU 361 Ca 0.65 0.57 -0.20 0.00 0.03 0.00 0.00 54.97 56.02 2iiv s GLU 361 Cb -0.21 -3.06 -0.10 0.00 -0.80 0.00 0.00 34.13 29.97 2iiv s GLU 361 CO 0.58 0.55 0.97 -1.25 -1.33 0.00 0.00 175.26 174.78 2iiv s PRO 362 N -1.61 4.10 -0.34 -4.83 0.04 -1.26 -4.60 135.00 126.50 2iiv s PRO 362 Ca 0.34 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.53 2iiv s PRO 362 Cb -0.17 -2.16 0.10 0.00 0.04 0.00 0.00 34.50 32.32 2iiv s PRO 362 CO 0.19 -0.15 0.06 -1.01 0.04 0.00 0.00 177.00 176.13 2iiv s HIS 363 N -2.25 3.34 0.42 0.56 3.76 0.58 -4.94 115.29 116.76 2iiv s HIS 363 Ca 0.62 -2.75 -0.22 0.00 -0.15 0.00 0.00 55.06 52.55 2iiv s HIS 363 Cb -0.10 -2.68 -0.09 0.00 1.11 0.00 0.00 32.58 30.82 2iiv s HIS 363 CO 0.18 -0.93 1.02 -0.06 -0.85 0.00 0.00 174.74 174.10 2iiv s PHE 364 N 1.03 3.23 0.95 1.40 0.40 -1.26 -1.18 117.98 122.55 2iiv s PHE 364 Ca 0.11 1.63 -0.13 0.00 -0.60 0.00 0.00 56.93 57.94 2iiv s PHE 364 Cb -0.19 -3.04 0.16 0.00 0.51 0.00 0.00 43.02 40.46 2iiv s PHE 364 CO -0.11 -0.51 1.14 0.95 0.70 0.00 0.00 175.22 177.38 2iiv s THR 365 N -1.85 1.97 0.17 0.64 -4.23 -0.82 -4.88 115.64 106.64 2iiv s THR 365 Ca 0.61 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.93 2iiv s THR 365 Cb -0.18 -2.70 0.10 0.00 1.34 0.00 0.00 72.50 71.06 2iiv s THR 365 CO 0.22 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 176.19 2iiv h LEU 366 N -1.65 -0.61 0.00 4.79 5.85 -1.92 -0.67 115.31 121.11 2iiv h LEU 366 Ca -0.51 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2iiv h LEU 366 Cb 1.33 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2iiv h LEU 366 CO 0.58 -0.21 0.00 -0.90 -0.34 0.00 0.00 178.44 177.57 2iiv n ASP 367 N -5.36 0.00 -0.99 1.25 5.68 -1.26 -4.91 116.55 110.96 2iiv n ASP 367 Ca 0.02 -0.69 -0.13 0.00 -0.50 0.00 0.00 54.79 53.50 2iiv n ASP 367 Cb 0.27 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 2iiv n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iiv n GLY 368 N 1.09 1.34 0.06 6.12 0.00 -0.26 -4.87 105.19 108.66 2iiv n GLY 368 Ca 0.20 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2iiv n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2iiv n ASN 369 N -0.48 0.68 -4.00 1.61 3.02 -1.26 -4.90 115.26 109.93 2iiv n ASN 369 Ca -0.13 0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 2iiv n ASN 369 Cb 0.48 0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.84 2iiv n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2iiv s SER 370 N -4.16 0.07 0.14 6.41 1.04 -1.26 -1.38 113.70 114.56 2iiv s SER 370 Ca 0.06 -0.95 -0.18 0.00 0.48 0.00 0.00 55.95 55.35 2iiv s SER 370 Cb 0.14 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2iiv s SER 370 CO 0.73 -0.89 0.47 0.72 0.98 0.00 0.00 173.24 175.25 2iiv s PHE 371 N -4.00 -0.32 -0.07 5.02 -0.12 0.14 -1.94 117.98 116.69 2iiv s PHE 371 Ca 0.20 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.14 2iiv s PHE 371 Cb 0.04 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 2iiv s PHE 371 CO 0.02 -0.75 -0.09 0.71 -0.05 0.00 0.00 175.22 175.05 2iiv s TYR 372 N -3.79 2.86 -0.18 3.49 1.51 -0.33 0.01 117.35 120.93 2iiv s TYR 372 Ca 0.02 -0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 55.86 2iiv s TYR 372 Cb 0.01 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2iiv s TYR 372 CO -0.12 0.24 0.46 0.21 -1.11 0.00 0.00 175.55 175.23 2iiv s LYS 373 N -0.66 0.50 -0.04 -0.62 2.20 -0.66 -0.31 119.74 120.16 2iiv s LYS 373 Ca 0.10 0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 2iiv s LYS 373 Cb -0.11 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 2iiv s LYS 373 CO 0.01 -0.10 1.04 0.42 -0.36 0.00 0.00 175.35 176.36 2iiv s ILE 374 N 0.72 4.69 0.07 5.43 1.01 -1.26 -0.87 121.20 130.99 2iiv s ILE 374 Ca -0.04 1.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.49 2iiv s ILE 374 Cb -0.05 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 2iiv s ILE 374 CO -0.05 0.08 0.12 0.27 0.00 0.00 0.00 174.94 175.36 2iiv s ILE 375 N 1.50 0.16 0.03 2.92 -4.36 -0.13 -4.55 121.20 116.77 2iiv s ILE 375 Ca 0.52 -1.33 -0.30 0.00 -0.26 0.00 0.00 60.65 59.28 2iiv s ILE 375 Cb -0.21 -1.32 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 2iiv s ILE 375 CO 0.24 -0.73 1.28 -0.55 0.24 0.00 0.00 174.94 175.42 2iiv s SER 376 N -2.76 6.97 0.88 4.36 0.15 -1.26 -1.33 113.70 120.72 2iiv s SER 376 Ca 0.04 2.05 -0.07 0.00 0.70 0.00 0.00 55.95 58.67 2iiv s SER 376 Cb 0.05 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 2iiv s SER 376 CO -0.10 -0.59 0.73 -0.46 1.20 0.00 0.00 173.24 174.03 2iiv n ASN 377 N 4.56 0.27 0.30 5.45 0.23 0.01 -4.86 115.26 121.23 2iiv n ASN 377 Ca 0.11 -1.40 0.20 0.00 -0.53 0.00 0.00 54.58 52.96 2iiv n ASN 377 Cb 0.45 -0.54 0.99 0.00 -2.08 0.00 0.00 39.78 38.60 2iiv n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2iiv h GLU 378 N 0.00 0.00 -0.01 -3.83 4.39 -1.96 0.84 114.58 114.02 2iiv h GLU 378 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2iiv h GLU 378 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2iiv h GLU 378 CO 0.19 0.00 -0.30 0.39 -1.16 0.00 0.00 179.01 178.13 2iiv n GLU 379 N -2.98 0.76 -0.71 2.33 -0.58 -1.26 -4.93 120.64 113.26 2iiv n GLU 379 Ca -0.02 -0.47 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 2iiv n GLU 379 Cb 0.14 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2iiv n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2iiv n GLY 380 N 1.36 0.62 3.69 0.62 0.00 0.29 -4.78 105.19 106.99 2iiv n GLY 380 Ca 0.11 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2iiv n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2iiv s TYR 381 N -2.00 3.25 -0.23 1.61 1.51 -1.26 0.09 117.35 120.32 2iiv s TYR 381 Ca 0.00 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.94 2iiv s TYR 381 Cb 0.00 -1.91 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2iiv s TYR 381 CO 0.00 0.38 1.21 1.03 -1.11 0.00 0.00 175.55 177.06 2iiv s ARG 382 N -0.44 4.13 0.22 -0.62 0.52 -1.26 -0.81 118.95 120.68 2iiv s ARG 382 Ca 0.09 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.72 2iiv s ARG 382 Cb -0.12 -3.77 -0.05 0.00 0.52 0.00 0.00 34.95 31.53 2iiv s ARG 382 CO 0.02 -0.83 0.10 -1.01 0.02 0.00 0.00 175.30 173.59 2iiv s HIS 383 N 3.71 1.29 -0.02 -0.53 3.76 -0.44 -1.34 115.29 121.72 2iiv s HIS 383 Ca 0.52 -1.26 -0.26 0.00 -0.15 0.00 0.00 55.06 53.91 2iiv s HIS 383 Cb -0.18 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 2iiv s HIS 383 CO 0.16 -0.47 0.81 0.42 -0.85 0.00 0.00 174.74 174.80 2iiv s ILE 384 N -3.94 4.92 -0.00 0.60 1.01 -1.26 -0.96 121.20 121.56 2iiv s ILE 384 Ca 0.36 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.77 2iiv s ILE 384 Cb 0.07 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2iiv s ILE 384 CO 0.11 0.24 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 2iiv s TYR 386 N -0.76 3.19 0.03 0.00 5.04 0.20 -1.65 117.35 123.40 2iiv s TYR 386 Ca 0.12 -0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.78 2iiv s TYR 386 Cb -0.10 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 2iiv s TYR 386 CO 0.02 -0.20 -0.08 -0.06 -1.34 0.00 0.00 175.55 173.89 2iiv s PHE 387 N 1.67 2.85 -0.16 4.97 0.08 0.10 -1.17 117.98 126.32 2iiv s PHE 387 Ca 0.07 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 56.97 2iiv s PHE 387 Cb -0.16 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2iiv s PHE 387 CO 0.09 0.38 0.10 -0.65 -0.10 0.00 0.00 175.22 175.04 2iiv s GLN 388 N -1.63 3.76 0.42 0.44 1.11 -1.26 -0.68 119.66 121.81 2iiv s GLN 388 Ca 0.18 -0.24 0.12 0.00 0.01 0.00 0.00 55.36 55.43 2iiv s GLN 388 Cb -0.11 -3.22 0.97 0.00 -1.01 0.00 0.00 33.01 29.64 2iiv s GLN 388 CO 0.09 0.49 1.97 -0.84 0.01 0.00 0.00 175.29 177.02 2iiv h ILE 389 N 4.44 0.92 -0.70 1.08 3.07 -1.57 -2.11 117.51 122.63 2iiv h ILE 389 Ca -0.46 -0.17 -0.42 0.00 1.55 0.00 0.00 64.86 65.37 2iiv h ILE 389 Cb 1.19 0.39 -0.24 0.00 -0.27 0.00 0.00 36.82 37.89 2iiv h ILE 389 CO 0.66 0.09 0.18 -0.90 -1.05 0.00 0.00 178.15 177.14 2iiv n ASP 390 N -4.48 4.24 -4.04 2.16 5.75 -1.26 -4.30 116.55 114.63 2iiv n ASP 390 Ca 0.10 -3.75 -0.20 0.00 -0.01 0.00 0.00 54.79 50.93 2iiv n ASP 390 Cb 0.34 -0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 39.57 2iiv n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2iiv s LYS 391 N -3.44 0.94 0.05 0.11 3.01 -0.80 -4.91 119.74 114.70 2iiv s LYS 391 Ca 0.53 -0.36 -0.15 0.00 -1.01 0.00 0.00 55.97 54.98 2iiv s LYS 391 Cb 0.45 -0.89 -0.31 0.00 -1.01 0.00 0.00 37.83 36.06 2iiv s LYS 391 CO 0.03 0.19 1.07 0.87 0.51 0.00 0.00 175.35 178.01 2iiv h LYS 392 N 6.09 0.59 -6.16 1.68 1.79 -1.90 -3.41 116.57 115.26 2iiv h LYS 392 Ca -0.32 -0.86 -0.56 0.00 -2.18 0.00 0.00 60.65 56.73 2iiv h LYS 392 Cb 1.17 0.30 -0.05 0.00 -1.58 0.00 0.00 32.23 32.07 2iiv h LYS 392 CO 0.49 1.40 0.06 -0.51 -1.08 0.00 0.00 179.45 179.81 2iiv s ASP 393 N -7.48 7.06 0.19 0.86 1.01 -1.26 -5.00 116.67 112.05 2iiv s ASP 393 Ca -0.09 1.27 0.07 0.00 0.71 0.00 0.00 52.55 54.51 2iiv s ASP 393 Cb 0.05 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 2iiv s ASP 393 CO 0.94 0.05 0.07 0.00 0.21 0.00 0.00 175.17 176.44 2iiv s THR 395 N -1.86 4.18 0.12 0.00 2.01 -0.32 -4.83 115.64 114.94 2iiv s THR 395 Ca 0.30 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 2iiv s THR 395 Cb -0.09 -2.88 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 2iiv s THR 395 CO 0.21 0.44 1.11 -0.36 -0.69 0.00 0.00 174.62 175.33 2iiv s PHE 396 N 0.77 3.57 -0.80 4.92 0.08 -1.26 0.63 117.98 125.88 2iiv s PHE 396 Ca 0.01 1.53 0.18 0.00 0.12 0.00 0.00 56.93 58.77 2iiv s PHE 396 Cb -0.14 -3.29 -0.20 0.00 -0.57 0.00 0.00 43.02 38.82 2iiv s PHE 396 CO 0.02 -0.70 0.74 0.44 -0.10 0.00 0.00 175.22 175.62 2iiv n ILE 397 N 3.03 0.00 -4.19 0.64 -5.35 0.01 -4.92 119.36 108.58 2iiv n ILE 397 Ca 0.05 -0.09 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 2iiv n ILE 397 Cb 0.47 0.96 -0.10 0.00 -1.74 0.00 0.00 39.64 39.23 2iiv n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2iiv s THR 398 N -2.71 0.86 0.08 7.28 -4.23 -1.25 -4.89 115.64 110.77 2iiv s THR 398 Ca 0.06 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 58.38 2iiv s THR 398 Cb 0.13 -1.68 0.08 0.00 1.34 0.00 0.00 72.50 72.38 2iiv s THR 398 CO 0.73 -0.80 0.86 -1.59 -0.54 0.00 0.00 174.62 173.29 2iiv s LYS 399 N -3.66 1.04 0.00 3.99 -2.85 -1.26 -4.54 119.74 112.45 2iiv s LYS 399 Ca 0.12 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 2iiv s LYS 399 Cb 0.03 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2iiv s LYS 399 CO -0.03 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.37 2iiv n GLY 400 N -0.34 3.19 2.61 0.59 0.00 -1.26 -4.92 105.19 105.05 2iiv n GLY 400 Ca -0.09 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 2iiv n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iiv n THR 401 N -1.69 4.26 -3.86 2.61 -2.24 -1.26 -4.74 114.28 107.36 2iiv n THR 401 Ca 0.00 -3.52 -0.04 0.00 -2.27 0.00 0.00 64.05 58.22 2iiv n THR 401 Cb 0.00 -2.44 0.02 0.00 -2.10 0.00 0.00 70.33 65.80 2iiv n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2iiv s TRP 402 N 1.35 0.06 0.03 4.78 1.48 -1.26 -5.04 118.94 120.34 2iiv s TRP 402 Ca 0.52 -0.49 0.01 0.00 -1.06 0.00 0.00 56.10 55.09 2iiv s TRP 402 Cb 0.15 0.71 -0.02 0.00 -1.16 0.00 0.00 33.47 33.15 2iiv s TRP 402 CO -0.06 -1.01 -0.06 -1.21 -4.06 0.00 0.00 176.95 170.56 2iiv s GLU 403 N -2.30 0.45 -0.02 3.25 2.02 -1.26 -4.49 118.70 116.34 2iiv s GLU 403 Ca 0.20 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 2iiv s GLU 403 Cb -0.03 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 2iiv s GLU 403 CO 0.06 0.00 0.91 0.08 0.02 0.00 0.00 175.26 176.33 2iiv s VAL 404 N -1.55 4.91 -0.06 2.63 1.01 -0.45 -2.38 120.40 124.52 2iiv s VAL 404 Ca -0.11 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.60 2iiv s VAL 404 Cb -0.09 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.74 2iiv s VAL 404 CO -0.01 0.17 0.75 0.40 0.00 0.00 0.00 175.10 176.42 2iiv h ILE 405 N 4.81 1.24 -1.73 2.22 1.08 -0.27 -3.45 117.51 121.41 2iiv h ILE 405 Ca -0.40 -2.50 0.09 0.00 -0.39 0.00 0.00 64.86 61.66 2iiv h ILE 405 Cb 1.21 2.95 -0.21 0.00 -3.07 0.00 0.00 36.82 37.70 2iiv h ILE 405 CO 0.76 0.73 0.54 -0.83 -0.69 0.00 0.00 178.15 178.65 2iiv s GLY 406 N -4.72 -0.32 -0.11 5.37 0.00 -1.14 -5.01 107.32 101.38 2iiv s GLY 406 Ca -0.16 1.77 -0.22 0.00 0.00 0.00 0.00 44.72 46.11 2iiv s GLY 406 CO 0.82 0.85 0.64 -0.42 0.00 0.00 0.00 173.10 174.99 2iiv s ILE 407 N -1.61 5.07 -0.13 0.90 1.01 -1.26 -1.67 121.20 123.50 2iiv s ILE 407 Ca -0.00 1.29 0.11 0.00 0.00 0.00 0.00 60.65 62.04 2iiv s ILE 407 Cb -0.01 -3.97 -0.16 0.00 0.01 0.00 0.00 42.46 38.33 2iiv s ILE 407 CO -0.01 0.23 0.03 -0.62 0.00 0.00 0.00 174.94 174.57 2iiv n GLU 408 N 4.11 1.78 -3.52 2.79 -0.58 0.16 -4.98 120.64 120.40 2iiv n GLU 408 Ca -0.02 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 2iiv n GLU 408 Cb 0.51 -1.33 -0.05 0.00 -0.57 0.00 0.00 31.44 29.99 2iiv n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2iiv s ALA 409 N -2.31 -1.64 -0.03 0.62 0.00 -1.01 -4.85 121.76 112.55 2iiv s ALA 409 Ca -0.07 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 2iiv s ALA 409 Cb 0.04 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.42 2iiv s ALA 409 CO 0.52 -0.46 0.03 -1.17 0.00 0.00 0.00 175.76 174.67 2iiv s LEU 410 N -1.61 0.94 0.46 0.00 2.96 -1.26 0.60 118.68 120.77 2iiv s LEU 410 Ca -0.08 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2iiv s LEU 410 Cb -0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.53 2iiv s LEU 410 CO 0.04 -0.14 0.05 0.42 -1.32 0.00 0.00 176.35 175.40 2iiv s THR 411 N 1.26 0.99 0.27 3.68 -4.23 0.34 -4.97 115.64 112.97 2iiv s THR 411 Ca -0.07 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.67 2iiv s THR 411 Cb -0.13 -2.30 0.22 0.00 1.34 0.00 0.00 72.50 71.63 2iiv s THR 411 CO -0.03 0.00 1.90 0.77 -0.54 0.00 0.00 174.62 176.72 2iiv h SER 412 N 1.56 0.00 0.11 3.99 4.64 -2.01 -3.28 113.55 118.56 2iiv h SER 412 Ca -0.40 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.55 2iiv h SER 412 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 2iiv h SER 412 CO 0.68 0.24 -2.24 0.47 -0.87 0.00 0.00 176.83 175.10 2iiv n ASP 413 N -3.59 0.98 -4.13 4.97 8.00 -1.26 -4.82 116.55 116.71 2iiv n ASP 413 Ca -0.01 0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 2iiv n ASP 413 Cb 0.37 0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.54 2iiv n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2iiv s TYR 414 N -2.53 0.83 -0.10 1.24 1.51 -1.24 -1.05 117.35 116.01 2iiv s TYR 414 Ca -0.18 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.19 2iiv s TYR 414 Cb 0.07 -0.48 -0.00 0.00 -0.11 0.00 0.00 41.96 41.44 2iiv s TYR 414 CO 0.76 -0.11 -0.22 -1.17 -1.11 0.00 0.00 175.55 173.70 2iiv s LEU 415 N -2.43 2.21 -0.16 -1.29 0.20 -0.87 -0.51 118.68 115.82 2iiv s LEU 415 Ca 0.03 -0.52 -0.06 0.00 0.69 0.00 0.00 54.13 54.27 2iiv s LEU 415 Cb -0.01 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.26 2iiv s LEU 415 CO -0.02 0.16 0.05 -0.31 -0.29 0.00 0.00 176.35 175.94 2iiv s TYR 416 N 0.33 3.24 0.17 5.38 1.51 0.20 -1.17 117.35 127.00 2iiv s TYR 416 Ca -0.17 0.08 -0.10 0.00 -1.01 0.00 0.00 57.07 55.87 2iiv s TYR 416 Cb -0.18 -2.02 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 2iiv s TYR 416 CO 0.08 0.22 0.32 1.52 -1.11 0.00 0.00 175.55 176.58 2iiv s TYR 417 N 0.09 0.34 -0.11 2.71 -0.85 0.12 0.35 117.35 120.00 2iiv s TYR 417 Ca 0.04 -0.70 -0.00 0.00 -0.52 0.00 0.00 57.07 55.89 2iiv s TYR 417 Cb -0.12 0.00 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 2iiv s TYR 417 CO 0.01 -0.75 -0.10 0.42 -1.52 0.00 0.00 175.55 173.61 2iiv s ILE 418 N -3.96 3.34 0.21 -3.49 1.01 -0.67 0.26 121.20 117.90 2iiv s ILE 418 Ca 0.16 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 2iiv s ILE 418 Cb 0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2iiv s ILE 418 CO -0.00 0.54 0.23 -0.94 0.00 0.00 0.00 174.94 174.77 2iiv s SER 419 N 0.01 0.08 -0.43 3.58 1.04 -0.69 0.51 113.70 117.80 2iiv s SER 419 Ca -0.02 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.23 2iiv s SER 419 Cb -0.14 0.44 0.54 0.00 0.10 0.00 0.00 66.02 66.96 2iiv s SER 419 CO 0.04 -0.93 1.70 -0.46 0.98 0.00 0.00 173.24 174.58 2iiv n ASN 420 N -0.29 4.39 -0.10 7.02 0.23 -1.00 -1.62 115.26 123.89 2iiv n ASN 420 Ca 0.00 -3.74 -0.12 0.00 -0.53 0.00 0.00 54.58 50.20 2iiv n ASN 420 Cb 0.65 -0.74 -0.04 0.00 -2.08 0.00 0.00 39.78 37.57 2iiv n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2iiv h GLU 421 N 1.38 0.56 -6.25 -3.83 4.81 -1.84 -3.34 114.58 106.08 2iiv h GLU 421 Ca 0.46 -0.22 -0.69 0.00 -0.13 0.00 0.00 59.36 58.78 2iiv h GLU 421 Cb 1.81 -0.03 0.04 0.00 0.63 0.00 0.00 28.75 31.20 2iiv h GLU 421 CO 0.94 0.76 0.60 0.98 -0.73 0.00 0.00 179.01 181.56 2iiv n TYR 422 N -4.49 1.70 -1.66 0.92 9.36 -1.26 -1.07 117.16 120.66 2iiv n TYR 422 Ca -0.03 0.58 -0.14 0.00 3.32 0.00 0.00 57.90 61.63 2iiv n TYR 422 Cb 0.32 -2.38 -0.05 0.00 -0.63 0.00 0.00 39.34 36.60 2iiv n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2iiv n LYS 423 N 3.38 -1.50 -2.13 2.98 5.02 -1.26 -1.85 118.16 122.80 2iiv n LYS 423 Ca 0.20 0.81 -0.17 0.00 -2.02 0.00 0.00 58.31 57.14 2iiv n LYS 423 Cb 0.18 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.01 2iiv n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iiv n GLY 424 N -0.41 0.14 3.42 0.72 0.00 -0.23 -4.93 105.19 103.90 2iiv n GLY 424 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 2iiv n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iiv s MET 425 N -4.54 3.07 0.61 1.61 -1.94 -0.77 -4.93 119.30 112.40 2iiv s MET 425 Ca 0.00 -1.10 0.34 0.00 -1.71 0.00 0.00 55.69 53.22 2iiv s MET 425 Cb 0.00 -4.14 1.96 0.00 2.01 0.00 0.00 34.83 34.66 2iiv s MET 425 CO 0.00 -1.23 2.27 -1.00 -0.01 0.00 0.00 175.02 175.05 2iiv h PRO 426 N 8.96 0.00 -0.48 2.03 0.13 -1.90 -1.44 132.00 139.30 2iiv h PRO 426 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2iiv h PRO 426 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2iiv h PRO 426 CO 0.97 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.16 2iiv n GLY 427 N -1.19 1.20 3.66 1.56 0.00 -1.26 -4.87 105.19 104.28 2iiv n GLY 427 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 2iiv n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iiv s GLY 428 N -0.91 1.66 -0.04 -0.02 0.00 -0.55 -2.44 107.32 105.04 2iiv s GLY 428 Ca 0.29 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 2iiv s GLY 428 CO 0.17 -1.71 0.07 0.50 0.00 0.00 0.00 173.10 172.14 2iiv s ARG 429 N -3.70 0.00 0.05 2.90 1.81 -0.04 -4.14 118.95 115.84 2iiv s ARG 429 Ca 0.32 0.26 0.01 0.00 -1.72 0.00 0.00 55.73 54.59 2iiv s ARG 429 Cb -0.06 -0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.18 2iiv s ARG 429 CO 0.20 -0.17 -0.05 -0.80 -0.68 0.00 0.00 175.30 173.80 2iiv s ASN 430 N 1.13 0.69 -0.11 0.23 0.01 -0.64 -0.86 114.94 115.40 2iiv s ASN 430 Ca -0.09 -0.75 -0.18 0.00 -0.71 0.00 0.00 52.86 51.13 2iiv s ASN 430 Cb -0.13 0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.60 2iiv s ASN 430 CO -0.04 -0.38 0.49 -0.22 -1.51 0.00 0.00 177.10 175.44 2iiv s LEU 431 N -2.21 4.29 0.23 0.60 2.96 -1.26 -1.71 118.68 121.58 2iiv s LEU 431 Ca -0.02 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.81 2iiv s LEU 431 Cb -0.02 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 2iiv s LEU 431 CO -0.04 0.01 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.59 2iiv s TYR 432 N 0.56 1.75 0.01 5.38 1.51 0.14 0.03 117.35 126.73 2iiv s TYR 432 Ca 0.27 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2iiv s TYR 432 Cb -0.15 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 2iiv s TYR 432 CO 0.11 0.27 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.16 2iiv s LYS 433 N -3.70 0.50 -0.04 -0.62 -2.85 -0.76 -0.70 119.74 111.57 2iiv s LYS 433 Ca 0.25 -0.42 0.04 0.00 -1.00 0.00 0.00 55.97 54.84 2iiv s LYS 433 Cb 0.02 -0.41 -0.00 0.00 -2.06 0.00 0.00 37.83 35.37 2iiv s LYS 433 CO 0.08 0.10 -0.16 -1.50 0.10 0.00 0.00 175.35 173.97 2iiv s ILE 434 N -0.61 1.36 -0.21 3.79 2.07 -0.32 -1.50 121.20 125.78 2iiv s ILE 434 Ca -0.02 -0.68 -0.29 0.00 -1.41 0.00 0.00 60.65 58.25 2iiv s ILE 434 Cb -0.05 -1.17 -0.02 0.00 0.13 0.00 0.00 42.46 41.35 2iiv s ILE 434 CO 0.00 0.39 1.40 -1.58 -1.91 0.00 0.00 174.94 173.24 2iiv s GLN 435 N 0.05 4.01 0.57 3.50 0.74 -0.86 -2.05 119.66 125.62 2iiv s GLN 435 Ca -0.04 1.57 0.33 0.00 0.05 0.00 0.00 55.36 57.27 2iiv s GLN 435 Cb -0.11 -3.89 1.75 0.00 1.10 0.00 0.00 33.01 31.86 2iiv s GLN 435 CO 0.02 -1.00 2.17 -0.07 -0.55 0.00 0.00 175.29 175.86 2iiv h LEU 436 N 10.64 0.00 -0.10 3.68 3.38 -1.41 -2.12 115.31 129.38 2iiv h LEU 436 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2iiv h LEU 436 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2iiv h LEU 436 CO 1.00 0.05 -0.34 -1.54 0.09 0.00 0.00 178.44 177.71 2iiv n SER 437 N -3.49 0.50 -3.21 -0.43 3.41 -1.26 -4.64 113.62 104.50 2iiv n SER 437 Ca -0.02 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2iiv n SER 437 Cb 0.18 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2iiv n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iiv s ASP 438 N -2.86 -1.42 0.00 4.04 -1.08 -0.80 -5.02 116.67 109.53 2iiv s ASP 438 Ca 0.16 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 2iiv s ASP 438 Cb 0.18 1.91 0.00 0.00 -1.46 0.00 0.00 42.92 43.55 2iiv s ASP 438 CO 0.62 -0.19 0.90 -1.22 0.52 0.00 0.00 175.17 175.80 2iiv n TYR 439 N 4.51 0.00 0.79 -5.34 4.01 -1.20 -0.50 117.16 119.43 2iiv n TYR 439 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 2iiv n TYR 439 Cb 0.56 -0.40 0.43 0.00 -0.31 0.00 0.00 39.34 39.61 2iiv n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2iiv n THR 440 N -1.40 0.28 -3.08 -0.72 -2.24 -1.26 -4.45 114.28 101.40 2iiv n THR 440 Ca 0.00 -0.15 -0.45 0.00 -2.27 0.00 0.00 64.05 61.18 2iiv n THR 440 Cb 0.05 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.88 2iiv n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iiv s LYS 441 N -3.06 3.87 -0.16 -0.78 -0.14 0.34 -4.99 119.74 114.81 2iiv s LYS 441 Ca 0.11 -2.42 -0.03 0.00 -1.36 0.00 0.00 55.97 52.28 2iiv s LYS 441 Cb 0.15 -4.81 -0.02 0.00 -1.68 0.00 0.00 37.83 31.48 2iiv s LYS 441 CO 0.60 -1.58 -0.07 0.08 -0.76 0.00 0.00 175.35 173.62 2iiv s VAL 442 N 1.14 3.53 -0.13 3.17 1.01 -1.26 -2.04 120.40 125.82 2iiv s VAL 442 Ca 0.33 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2iiv s VAL 442 Cb -0.06 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2iiv s VAL 442 CO -0.06 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.43 2iiv s THR 443 N 0.55 1.94 -0.03 3.92 2.01 -0.56 -4.99 115.64 118.48 2iiv s THR 443 Ca -0.05 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 2iiv s THR 443 Cb -0.15 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2iiv s THR 443 CO 0.03 0.53 0.94 0.00 -0.69 0.00 0.00 174.62 175.43 2iiv n LEU 445 N 4.07 0.57 0.00 0.00 4.77 0.10 -4.60 117.00 121.92 2iiv n LEU 445 Ca 0.05 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2iiv n LEU 445 Cb 0.51 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2iiv n LEU 445 CO 0.51 0.11 -0.37 -1.54 -1.33 0.00 0.00 177.39 174.77 2iiv n SER 446 N -1.87 3.71 -0.28 -1.43 3.41 -1.19 -4.79 113.62 111.18 2iiv n SER 446 Ca 0.01 -0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.66 2iiv n SER 446 Cb 0.44 0.84 0.22 0.00 -0.26 0.00 0.00 64.21 65.44 2iiv n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iiv n GLU 448 N -5.30 2.54 -0.13 0.00 4.71 -1.26 -4.17 120.64 117.03 2iiv n GLU 448 Ca 0.17 -2.35 -0.07 0.00 -0.01 0.00 0.00 57.16 54.90 2iiv n GLU 448 Cb 0.57 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.52 2iiv n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2iiv h LEU 449 N 4.04 0.45 -5.00 -4.62 3.38 -1.73 -3.39 115.31 108.43 2iiv h LEU 449 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2iiv h LEU 449 Cb 0.94 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 2iiv h LEU 449 CO 0.00 0.32 -0.40 -3.20 0.09 0.00 0.00 178.44 175.25 2iiv n ASN 450 N -4.82 -2.90 -0.01 -0.43 2.85 -1.26 -5.05 115.26 103.64 2iiv n ASN 450 Ca 0.01 -2.54 0.20 0.00 -0.11 0.00 0.00 54.58 52.14 2iiv n ASN 450 Cb 0.04 1.52 0.68 0.00 1.24 0.00 0.00 39.78 43.27 2iiv n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2iiv h PRO 451 N 4.62 0.02 0.05 1.20 0.13 -1.75 0.46 132.00 136.73 2iiv h PRO 451 Ca 0.01 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2iiv h PRO 451 Cb 1.11 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 2iiv h PRO 451 CO 0.02 0.01 -0.75 0.93 -0.23 0.00 0.00 178.00 177.98 2iiv h GLU 452 N 0.02 0.42 0.00 0.86 5.08 -1.96 -3.36 114.58 115.63 2iiv h GLU 452 Ca 0.26 -0.52 -0.27 0.00 -1.00 0.00 0.00 59.36 57.82 2iiv h GLU 452 Cb 1.01 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2iiv h GLU 452 CO -0.01 1.18 -1.54 -0.09 -1.00 0.00 0.00 179.01 177.56 2iiv h ARG 453 N -0.11 0.00 -4.55 2.33 2.43 -1.86 -3.41 114.38 109.21 2iiv h ARG 453 Ca -0.11 -0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.44 2iiv h ARG 453 Cb 1.49 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.67 2iiv h ARG 453 CO 0.15 0.61 -0.80 0.00 -1.51 0.00 0.00 179.97 178.42 2iiv n GLN 455 N 4.63 0.01 -3.67 0.00 6.02 0.12 -4.31 117.38 120.18 2iiv n GLN 455 Ca -0.14 -0.31 -0.29 0.00 -0.01 0.00 0.00 57.00 56.25 2iiv n GLN 455 Cb 0.45 -0.65 -0.16 0.00 1.02 0.00 0.00 30.24 30.90 2iiv n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2iiv s TYR 456 N -0.08 0.97 0.18 1.08 6.14 -0.95 -0.86 117.35 123.83 2iiv s TYR 456 Ca 0.00 -1.09 0.10 0.00 0.64 0.00 0.00 57.07 56.72 2iiv s TYR 456 Cb 0.00 -1.18 -0.04 0.00 0.42 0.00 0.00 41.96 41.16 2iiv s TYR 456 CO 0.00 -0.75 -0.15 0.71 0.64 0.00 0.00 175.55 176.00 2iiv s TYR 457 N 1.88 2.51 0.11 4.97 2.02 -0.04 -0.72 117.35 128.08 2iiv s TYR 457 Ca 0.05 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2iiv s TYR 457 Cb -0.17 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2iiv s TYR 457 CO -0.22 0.50 -0.08 -1.54 -1.57 0.00 0.00 175.55 172.64 2iiv s SER 458 N -2.73 1.34 0.08 2.29 1.04 -0.70 -4.60 113.70 110.42 2iiv s SER 458 Ca 0.23 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.70 2iiv s SER 458 Cb -0.09 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2iiv s SER 458 CO 0.13 -0.40 -0.05 0.54 0.98 0.00 0.00 173.24 174.44 2iiv s VAL 459 N -3.33 0.51 -0.20 5.02 0.11 -1.26 -1.18 120.40 120.07 2iiv s VAL 459 Ca 0.12 -1.89 -0.05 0.00 -2.93 0.00 0.00 61.98 57.23 2iiv s VAL 459 Cb 0.03 -1.64 0.07 0.00 -1.53 0.00 0.00 36.38 33.32 2iiv s VAL 459 CO -0.03 -0.91 0.11 -0.55 -3.33 0.00 0.00 175.10 170.40 2iiv s SER 460 N -3.00 2.55 0.29 3.54 0.15 -0.14 -4.97 113.70 112.12 2iiv s SER 460 Ca 0.10 -0.75 -0.11 0.00 0.70 0.00 0.00 55.95 55.90 2iiv s SER 460 Cb 0.06 -0.22 -0.08 0.00 -1.71 0.00 0.00 66.02 64.08 2iiv s SER 460 CO -0.06 -0.37 0.64 -0.36 1.20 0.00 0.00 173.24 174.29 2iiv s PHE 461 N 2.14 3.41 1.03 3.44 0.40 -1.26 -0.73 117.98 126.41 2iiv s PHE 461 Ca 0.04 1.00 -0.15 0.00 -0.60 0.00 0.00 56.93 57.22 2iiv s PHE 461 Cb -0.16 -2.37 0.20 0.00 0.51 0.00 0.00 43.02 41.20 2iiv s PHE 461 CO -0.16 0.15 1.15 -1.54 0.70 0.00 0.00 175.22 175.52 2iiv s SER 462 N -2.48 2.46 0.22 1.36 1.04 0.30 -4.86 113.70 111.74 2iiv s SER 462 Ca 0.50 0.80 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 2iiv s SER 462 Cb -0.11 -1.21 0.31 0.00 0.10 0.00 0.00 66.02 65.11 2iiv s SER 462 CO 0.22 -3.19 1.36 0.29 0.98 0.00 0.00 173.24 172.90 2iiv n LYS 463 N -4.16 -0.14 -0.65 4.02 4.76 -0.87 -1.14 118.16 119.98 2iiv n LYS 463 Ca 0.10 1.36 0.01 0.00 -2.87 0.00 0.00 58.31 56.90 2iiv n LYS 463 Cb 0.59 -2.02 0.23 0.00 -1.84 0.00 0.00 35.03 31.99 2iiv n LYS 463 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2iiv n GLU 464 N -5.36 2.42 -1.92 1.97 -0.58 -1.26 -4.94 120.64 110.98 2iiv n GLU 464 Ca 0.11 -3.01 -0.19 0.00 -0.42 0.00 0.00 57.16 53.66 2iiv n GLU 464 Cb 0.39 -1.86 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 2iiv n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2iiv n ALA 465 N -0.81 -0.41 0.05 0.62 0.00 -0.29 -4.86 120.51 114.80 2iiv n ALA 465 Ca 0.29 0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 2iiv n ALA 465 Cb 1.01 -1.99 0.10 0.00 0.00 0.00 0.00 19.45 18.57 2iiv n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2iiv h LYS 466 N 0.00 0.37 -5.07 0.00 3.64 -1.80 -3.41 116.57 110.30 2iiv h LYS 466 Ca -0.42 -0.24 -0.33 0.00 -1.27 0.00 0.00 60.65 58.39 2iiv h LYS 466 Cb 1.29 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 2iiv h LYS 466 CO 0.56 0.83 -0.72 0.71 -2.27 0.00 0.00 179.45 178.57 2iiv s TYR 467 N -3.90 1.25 -0.07 1.91 2.02 -1.26 -0.66 117.35 116.64 2iiv s TYR 467 Ca -0.05 -0.74 -0.10 0.00 -0.37 0.00 0.00 57.07 55.81 2iiv s TYR 467 Cb 0.12 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2iiv s TYR 467 CO 0.81 0.08 0.25 1.52 -1.57 0.00 0.00 175.55 176.65 2iiv s TYR 468 N -3.21 -0.23 -0.20 2.71 1.13 -0.23 -0.54 117.35 116.77 2iiv s TYR 468 Ca 0.15 0.54 -0.09 0.00 -1.41 0.00 0.00 57.07 56.27 2iiv s TYR 468 Cb 0.02 0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.91 2iiv s TYR 468 CO 0.01 -0.19 0.10 -1.14 -2.51 0.00 0.00 175.55 171.81 2iiv s GLN 469 N -0.27 4.02 -0.16 -3.49 0.74 0.09 -0.38 119.66 120.22 2iiv s GLN 469 Ca -0.04 -0.31 -0.08 0.00 0.05 0.00 0.00 55.36 54.99 2iiv s GLN 469 Cb -0.03 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 2iiv s GLN 469 CO 0.01 0.21 0.10 -0.51 -0.55 0.00 0.00 175.29 174.55 2iiv s LEU 470 N 0.59 4.08 -0.30 3.68 1.43 0.51 -0.97 118.68 127.70 2iiv s LEU 470 Ca 0.05 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2iiv s LEU 470 Cb -0.12 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.15 2iiv s LEU 470 CO 0.01 0.27 -0.03 -0.60 0.23 0.00 0.00 176.35 176.22 2iiv s ARG 471 N -0.17 1.93 -0.11 1.70 3.52 -0.32 -1.46 118.95 124.03 2iiv s ARG 471 Ca 0.09 -1.58 -0.21 0.00 -0.13 0.00 0.00 55.73 53.91 2iiv s ARG 471 Cb -0.12 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2iiv s ARG 471 CO 0.01 -0.74 0.60 0.00 -0.81 0.00 0.00 175.30 174.36 2iiv n SER 473 N 3.96 2.08 0.00 0.00 3.41 0.10 -1.39 113.62 121.79 2iiv n SER 473 Ca -0.04 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 2iiv n SER 473 Cb 0.51 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2iiv n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iiv n GLY 474 N -0.61 1.71 0.10 5.00 0.00 -1.26 -1.04 105.19 109.09 2iiv n GLY 474 Ca 0.03 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.20 2iiv n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2iiv n PRO 475 N -0.68 0.19 -0.27 1.61 -0.04 -0.61 0.12 135.00 135.32 2iiv n PRO 475 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2iiv n PRO 475 Cb 0.00 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 2iiv n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iiv n GLY 476 N 0.71 0.06 3.77 0.55 0.00 0.26 -4.51 105.19 106.03 2iiv n GLY 476 Ca 0.04 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2iiv n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iiv s LEU 477 N 0.00 4.24 0.25 0.99 1.43 -1.26 -4.60 118.68 119.73 2iiv s LEU 477 Ca 0.00 2.54 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 2iiv s LEU 477 Cb 0.00 -3.91 -0.15 0.00 0.03 0.00 0.00 46.19 42.16 2iiv s LEU 477 CO 0.00 -0.74 1.00 -2.65 0.23 0.00 0.00 176.35 174.19 2iiv n PRO 478 N 0.21 1.17 -4.04 1.29 -0.02 -1.26 -4.78 135.00 127.57 2iiv n PRO 478 Ca 0.03 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 2iiv n PRO 478 Cb 0.44 -1.78 -0.17 0.00 -0.02 0.00 0.00 33.50 31.98 2iiv n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2iiv s LEU 479 N 0.76 1.12 -0.13 2.45 2.96 -0.48 -4.15 118.68 121.20 2iiv s LEU 479 Ca 0.63 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2iiv s LEU 479 Cb -0.76 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 2iiv s LEU 479 CO 0.58 -0.10 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.11 2iiv s TYR 480 N 1.36 2.90 0.06 5.38 1.51 0.57 -0.88 117.35 128.26 2iiv s TYR 480 Ca -0.03 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2iiv s TYR 480 Cb -0.13 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2iiv s TYR 480 CO -0.03 -0.04 -0.06 0.95 -1.11 0.00 0.00 175.55 175.26 2iiv s THR 481 N 0.12 0.50 -0.05 -0.71 -4.23 -0.54 -0.75 115.64 109.99 2iiv s THR 481 Ca -0.04 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2iiv s THR 481 Cb -0.14 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 2iiv s THR 481 CO 0.04 -0.66 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.10 2iiv s LEU 482 N -2.27 2.73 0.07 4.79 2.96 -0.59 -0.36 118.68 126.01 2iiv s LEU 482 Ca -0.01 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2iiv s LEU 482 Cb -0.02 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2iiv s LEU 482 CO -0.03 0.33 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.27 2iiv s HIS 483 N -0.66 0.78 -0.11 5.38 3.76 0.49 -1.54 115.29 123.40 2iiv s HIS 483 Ca 0.10 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 2iiv s HIS 483 Cb -0.11 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 2iiv s HIS 483 CO 0.01 -0.14 -0.11 -1.54 -0.85 0.00 0.00 174.74 172.11 2iiv s SER 484 N -2.47 4.27 0.30 1.40 1.04 -0.82 -1.07 113.70 116.34 2iiv s SER 484 Ca 0.03 -0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.33 2iiv s SER 484 Cb -0.00 -1.41 0.46 0.00 0.10 0.00 0.00 66.02 65.16 2iiv s SER 484 CO -0.03 0.24 1.68 0.28 0.98 0.00 0.00 173.24 176.39 2iiv h SER 485 N 6.18 0.13 -0.63 7.02 0.02 -1.13 -1.05 113.55 124.10 2iiv h SER 485 Ca -0.35 -0.06 0.13 0.00 -0.84 0.00 0.00 61.79 60.67 2iiv h SER 485 Cb 1.19 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 2iiv h SER 485 CO 0.55 0.60 0.07 1.62 -1.14 0.00 0.00 176.83 178.53 2iiv h VAL 486 N 0.09 0.55 0.00 2.27 3.04 -1.90 -2.98 116.25 117.32 2iiv h VAL 486 Ca 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 2iiv h VAL 486 Cb 0.90 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 2iiv h VAL 486 CO 0.07 0.03 -0.33 0.59 -1.01 0.00 0.00 177.57 176.93 2iiv n ASN 487 N -5.21 1.22 -4.00 3.17 3.02 -1.25 -5.00 115.26 107.20 2iiv n ASN 487 Ca 0.10 -2.61 -0.28 0.00 -0.03 0.00 0.00 54.58 51.75 2iiv n ASN 487 Cb 0.36 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 39.19 2iiv n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2iiv n ASP 488 N -0.67 -1.70 -4.79 6.41 10.43 -0.43 -4.93 116.55 120.87 2iiv n ASP 488 Ca 0.09 -0.97 -0.36 0.00 2.57 0.00 0.00 54.79 56.12 2iiv n ASP 488 Cb 0.71 -3.15 -0.06 0.00 1.84 0.00 0.00 41.12 40.46 2iiv n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2iiv s LYS 489 N -6.62 4.38 -0.67 -1.24 1.02 -0.99 -4.85 119.74 110.76 2iiv s LYS 489 Ca 0.28 1.33 -0.17 0.00 0.02 0.00 0.00 55.97 57.42 2iiv s LYS 489 Cb -0.15 -2.57 0.13 0.00 -0.52 0.00 0.00 37.83 34.73 2iiv s LYS 489 CO 0.89 0.08 0.73 0.20 -0.92 0.00 0.00 175.35 176.33 2iiv s GLY 490 N -1.74 2.03 0.05 -3.33 0.00 -1.26 -1.94 107.32 101.11 2iiv s GLY 490 Ca 0.55 -2.57 -0.33 0.00 0.00 0.00 0.00 44.72 42.38 2iiv s GLY 490 CO 0.22 1.49 1.43 1.41 0.00 0.00 0.00 173.10 177.66 2iiv h LEU 491 N 9.39 -0.94 -7.50 0.66 3.38 -1.64 -3.49 115.31 115.18 2iiv h LEU 491 Ca -0.16 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.01 2iiv h LEU 491 Cb 1.07 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 2iiv h LEU 491 CO 1.02 -0.61 0.52 0.00 0.09 0.00 0.00 178.44 179.46 2iiv s ARG 492 N -5.56 1.04 -0.22 1.13 1.70 -1.18 -5.02 118.95 110.84 2iiv s ARG 492 Ca -0.18 -0.55 -0.20 0.00 -0.47 0.00 0.00 55.73 54.34 2iiv s ARG 492 Cb 0.02 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 2iiv s ARG 492 CO 0.55 -0.47 0.59 0.08 -1.08 0.00 0.00 175.30 174.97 2iiv s VAL 493 N -3.16 5.04 -0.04 4.99 1.01 -1.26 -1.54 120.40 125.43 2iiv s VAL 493 Ca 0.11 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 2iiv s VAL 493 Cb -0.01 -3.90 -0.31 0.00 0.00 0.00 0.00 36.38 32.16 2iiv s VAL 493 CO -0.00 0.10 0.69 -0.07 0.00 0.00 0.00 175.10 175.82 2iiv h LEU 494 N 8.40 0.64 -6.96 3.92 3.38 -1.28 -3.47 115.31 119.93 2iiv h LEU 494 Ca -0.30 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 56.80 2iiv h LEU 494 Cb 1.14 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.47 2iiv h LEU 494 CO 0.76 1.78 -0.01 -0.70 0.09 0.00 0.00 178.44 180.36 2iiv s GLU 495 N -2.58 0.59 0.00 1.13 2.56 -1.11 -5.00 118.70 114.29 2iiv s GLU 495 Ca -0.15 1.26 0.05 0.00 0.00 0.00 0.00 54.97 56.13 2iiv s GLU 495 Cb 0.05 0.52 0.11 0.00 2.00 0.00 0.00 34.13 36.81 2iiv s GLU 495 CO 0.86 -0.17 0.98 -0.40 -0.56 0.00 0.00 175.26 175.97 2iiv n ASP 496 N 4.89 2.12 -2.24 -1.70 5.68 -1.26 -0.32 116.55 123.72 2iiv n ASP 496 Ca -0.15 -1.76 -0.14 0.00 -0.50 0.00 0.00 54.79 52.24 2iiv n ASP 496 Cb 0.53 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 2iiv n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2iiv n ASN 497 N 0.06 -4.19 0.26 -1.12 3.02 -1.26 -4.83 115.26 107.20 2iiv n ASN 497 Ca 0.05 0.19 0.09 0.00 -0.03 0.00 0.00 54.58 54.88 2iiv n ASN 497 Cb 0.27 -3.60 0.69 0.00 -0.61 0.00 0.00 39.78 36.53 2iiv n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2iiv h SER 498 N 0.00 0.00 -0.33 6.41 4.64 -1.94 -1.64 113.55 120.69 2iiv h SER 498 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 2iiv h SER 498 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2iiv h SER 498 CO 0.40 0.02 0.10 0.00 -0.87 0.00 0.00 176.83 176.48 2iiv h ALA 499 N 1.98 0.43 -0.76 5.18 0.00 -2.00 -1.42 119.26 122.67 2iiv h ALA 499 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2iiv h ALA 499 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2iiv h ALA 499 CO 0.00 0.07 0.25 1.25 0.00 0.00 0.00 179.25 180.82 2iiv h LEU 500 N 0.37 1.09 -0.97 0.00 5.85 -1.65 -2.08 115.31 117.92 2iiv h LEU 500 Ca 0.11 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2iiv h LEU 500 Cb 0.26 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2iiv h LEU 500 CO -0.00 1.00 0.63 -0.78 -0.34 0.00 0.00 178.44 178.94 2iiv h ASP 501 N 1.12 1.02 -0.60 1.25 3.58 -1.08 0.80 116.42 122.51 2iiv h ASP 501 Ca 0.25 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2iiv h ASP 501 Cb 0.29 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2iiv h ASP 501 CO -0.01 0.67 0.13 0.50 -2.88 0.00 0.00 179.24 177.65 2iiv h LYS 502 N 1.17 0.97 -0.37 0.28 3.64 -0.60 -2.64 116.57 119.02 2iiv h LYS 502 Ca 0.40 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 2iiv h LYS 502 Cb 0.09 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2iiv h LYS 502 CO -0.15 0.90 -0.37 0.52 -2.27 0.00 0.00 179.45 178.08 2iiv h MET 503 N 0.88 0.87 0.00 1.90 2.86 -0.78 -3.11 114.93 117.56 2iiv h MET 503 Ca 0.19 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2iiv h MET 503 Cb 0.38 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2iiv h MET 503 CO 0.01 1.09 0.00 -0.07 1.06 0.00 0.00 176.91 179.00 2iiv h LEU 504 N 0.72 0.00 -0.90 1.22 3.38 -0.71 -2.30 115.31 116.72 2iiv h LEU 504 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2iiv h LEU 504 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2iiv h LEU 504 CO 0.09 0.00 0.00 0.06 0.09 0.00 0.00 178.44 178.68 2iiv h GLN 505 N 0.00 0.00 -0.65 1.13 3.07 -1.40 -2.10 115.11 115.17 2iiv h GLN 505 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2iiv h GLN 505 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 2iiv h GLN 505 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.01 2iiv n ASN 506 N -2.39 4.15 -4.13 0.06 3.02 -0.86 -4.90 115.26 110.20 2iiv n ASN 506 Ca 0.02 -2.29 -0.22 0.00 -0.03 0.00 0.00 54.58 52.06 2iiv n ASN 506 Cb 0.23 -0.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 2iiv n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2iiv s VAL 507 N -1.63 1.14 -1.05 2.41 0.11 -0.79 -3.62 120.40 116.97 2iiv s VAL 507 Ca 0.46 -0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 58.50 2iiv s VAL 507 Cb 0.28 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2iiv s VAL 507 CO 0.25 0.19 1.56 -1.10 -3.33 0.00 0.00 175.10 172.66 2iiv s GLN 508 N -0.69 3.50 0.31 1.54 -0.21 -0.25 -4.98 119.66 118.88 2iiv s GLN 508 Ca 0.04 -1.15 -0.20 0.00 0.02 0.00 0.00 55.36 54.08 2iiv s GLN 508 Cb -0.07 -5.35 -0.09 0.00 1.00 0.00 0.00 33.01 28.50 2iiv s GLN 508 CO 0.00 -2.39 0.81 -1.64 -2.12 0.00 0.00 175.29 169.95 2iiv s MET 509 N 5.15 4.24 0.78 2.91 -1.94 -1.26 -4.33 119.30 124.84 2iiv s MET 509 Ca 0.50 0.94 -0.11 0.00 -1.71 0.00 0.00 55.69 55.31 2iiv s MET 509 Cb -0.00 -2.61 0.06 0.00 2.01 0.00 0.00 34.83 34.28 2iiv s MET 509 CO -0.06 0.23 1.09 -1.25 -0.01 0.00 0.00 175.02 175.02 2iiv s PRO 510 N -2.49 2.25 0.39 2.03 0.04 -1.26 -4.38 135.00 131.59 2iiv s PRO 510 Ca 0.51 0.65 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2iiv s PRO 510 Cb -0.14 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2iiv s PRO 510 CO 0.19 -1.51 0.28 -1.54 0.04 0.00 0.00 177.00 174.46 2iiv s SER 511 N -3.94 4.86 -0.09 6.66 1.04 -0.01 -4.91 113.70 117.30 2iiv s SER 511 Ca 0.60 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 56.25 2iiv s SER 511 Cb -0.14 -0.62 0.01 0.00 0.10 0.00 0.00 66.02 65.37 2iiv s SER 511 CO 0.54 -0.53 -0.15 -0.75 0.98 0.00 0.00 173.24 173.33 2iiv s LYS 512 N -4.01 2.16 -0.18 4.02 2.20 -1.26 -0.19 119.74 122.47 2iiv s LYS 512 Ca 0.44 -0.55 -0.05 0.00 -0.36 0.00 0.00 55.97 55.45 2iiv s LYS 512 Cb -0.02 -1.78 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 2iiv s LYS 512 CO 0.25 -0.00 -0.01 0.21 -0.36 0.00 0.00 175.35 175.44 2iiv s LYS 513 N 0.80 3.65 -0.14 4.03 2.20 0.19 -4.95 119.74 125.52 2iiv s LYS 513 Ca -0.11 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2iiv s LYS 513 Cb -0.16 -3.03 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 2iiv s LYS 513 CO 0.02 0.10 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.72 2iiv s LEU 514 N 0.76 2.12 0.00 5.43 2.96 -1.26 -0.24 118.68 128.45 2iiv s LEU 514 Ca -0.00 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 2iiv s LEU 514 Cb -0.14 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.10 2iiv s LEU 514 CO 0.02 0.08 0.00 -0.67 -1.32 0.00 0.00 176.35 174.46 2iiv n ASP 515 N 4.07 0.00 -3.90 3.68 2.03 -0.61 -5.02 116.55 116.80 2iiv n ASP 515 Ca -0.20 -0.66 -0.09 0.00 0.52 0.00 0.00 54.79 54.36 2iiv n ASP 515 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 2iiv n ASP 515 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2iiv s PHE 516 N -6.95 0.19 0.22 -0.67 -0.71 -1.26 -0.59 117.98 108.20 2iiv s PHE 516 Ca 0.00 -0.55 0.11 0.00 -1.04 0.00 0.00 56.93 55.44 2iiv s PHE 516 Cb 0.00 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 2iiv s PHE 516 CO 0.00 -0.46 -0.21 0.96 -1.34 0.00 0.00 175.22 174.18 2iiv s ILE 517 N -3.28 2.25 -0.09 -4.49 -4.36 0.19 -4.94 121.20 106.47 2iiv s ILE 517 Ca 0.01 -2.15 -0.04 0.00 -0.26 0.00 0.00 60.65 58.21 2iiv s ILE 517 Cb 0.03 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 2iiv s ILE 517 CO -0.08 -0.29 0.06 -0.63 0.24 0.00 0.00 174.94 174.25 2iiv s ILE 518 N -2.12 4.81 -0.09 8.37 1.01 -1.26 -0.77 121.20 131.15 2iiv s ILE 518 Ca 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2iiv s ILE 518 Cb -0.06 -3.07 0.04 0.00 0.01 0.00 0.00 42.46 39.38 2iiv s ILE 518 CO 0.11 0.60 0.06 -0.76 0.00 0.00 0.00 174.94 174.94 2iiv s LEU 519 N -1.00 0.36 -1.09 2.97 1.43 0.89 -4.89 118.68 117.36 2iiv s LEU 519 Ca 0.15 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 2iiv s LEU 519 Cb -0.12 -0.26 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 2iiv s LEU 519 CO 0.04 -0.27 0.76 0.59 0.23 0.00 0.00 176.35 177.69 2iiv n ASN 520 N 5.25 -5.32 0.00 2.29 4.13 -1.26 -0.87 115.26 119.48 2iiv n ASN 520 Ca -0.05 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.22 2iiv n ASN 520 Cb 0.49 -3.11 0.00 0.00 -1.54 0.00 0.00 39.78 35.63 2iiv n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2iiv n GLU 521 N -3.97 -1.68 -4.68 3.52 1.02 -1.26 -4.93 120.64 108.66 2iiv n GLU 521 Ca -0.11 0.35 -0.32 0.00 -0.02 0.00 0.00 57.16 57.06 2iiv n GLU 521 Cb 0.59 -4.46 -0.12 0.00 -0.02 0.00 0.00 31.44 27.43 2iiv n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2iiv s THR 522 N -0.83 3.20 -0.13 2.62 2.01 -0.05 -5.11 115.64 117.35 2iiv s THR 522 Ca 0.00 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 2iiv s THR 522 Cb 0.00 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2iiv s THR 522 CO 0.00 0.46 0.20 -1.59 -0.69 0.00 0.00 174.62 173.00 2iiv s LYS 523 N -1.15 3.81 -0.07 4.92 -2.85 -1.26 -0.07 119.74 123.07 2iiv s LYS 523 Ca 0.14 -0.03 0.03 0.00 -1.00 0.00 0.00 55.97 55.11 2iiv s LYS 523 Cb -0.11 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.39 2iiv s LYS 523 CO 0.04 0.57 -0.15 -0.06 0.10 0.00 0.00 175.35 175.85 2iiv s PHE 524 N -0.49 1.70 0.31 1.78 0.40 0.05 -4.98 117.98 116.76 2iiv s PHE 524 Ca 0.15 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 2iiv s PHE 524 Cb -0.13 -1.20 -0.07 0.00 0.51 0.00 0.00 43.02 42.13 2iiv s PHE 524 CO 0.04 -0.29 0.64 -1.58 0.70 0.00 0.00 175.22 174.73 2iiv s TRP 525 N 0.51 3.44 0.14 0.36 0.52 -1.26 -0.64 118.94 122.02 2iiv s TRP 525 Ca -0.14 0.91 -0.07 0.00 0.02 0.00 0.00 56.10 56.82 2iiv s TRP 525 Cb -0.16 -2.31 -0.01 0.00 -1.15 0.00 0.00 33.47 29.84 2iiv s TRP 525 CO 0.05 0.11 0.21 1.52 0.02 0.00 0.00 176.95 178.86 2iiv s TYR 526 N -2.06 0.44 0.09 -1.98 -0.85 0.24 -0.94 117.35 112.28 2iiv s TYR 526 Ca 0.49 -0.83 0.03 0.00 -0.52 0.00 0.00 57.07 56.24 2iiv s TYR 526 Cb -0.11 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 2iiv s TYR 526 CO 0.26 -0.64 -0.09 1.14 -1.52 0.00 0.00 175.55 174.70 2iiv s GLN 527 N -3.96 0.80 -0.04 -3.49 -2.07 -0.18 -1.58 119.66 109.14 2iiv s GLN 527 Ca 0.16 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.56 2iiv s GLN 527 Cb 0.05 -0.44 0.03 0.00 -1.09 0.00 0.00 33.01 31.56 2iiv s GLN 527 CO -0.02 0.06 -0.01 -1.64 -1.32 0.00 0.00 175.29 172.36 2iiv s MET 528 N -2.82 0.49 -0.37 9.60 -1.94 0.66 -1.34 119.30 123.58 2iiv s MET 528 Ca 0.04 0.05 -0.21 0.00 -1.71 0.00 0.00 55.69 53.86 2iiv s MET 528 Cb -0.02 -0.68 0.01 0.00 2.01 0.00 0.00 34.83 36.14 2iiv s MET 528 CO -0.01 -0.16 0.67 0.42 -0.01 0.00 0.00 175.02 175.93 2iiv s ILE 529 N 1.25 4.84 -0.15 2.53 -1.09 0.69 -0.63 121.20 128.64 2iiv s ILE 529 Ca -0.06 0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 58.87 2iiv s ILE 529 Cb -0.13 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2iiv s ILE 529 CO -0.02 -0.38 0.12 -0.76 -1.23 0.00 0.00 174.94 172.67 2iiv s LEU 530 N 2.82 4.20 0.77 2.97 1.43 0.73 -2.22 118.68 129.37 2iiv s LEU 530 Ca 0.26 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 2iiv s LEU 530 Cb -0.14 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2iiv s LEU 530 CO 0.16 0.31 0.95 -2.65 0.23 0.00 0.00 176.35 175.36 2iiv n PRO 531 N 2.62 0.32 -1.52 1.29 -0.02 -1.26 -0.83 135.00 135.59 2iiv n PRO 531 Ca -0.18 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 2iiv n PRO 531 Cb 0.54 -2.22 0.08 0.00 -0.02 0.00 0.00 33.50 31.88 2iiv n PRO 531 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2iiv n PRO 532 N -2.17 0.79 -3.27 0.52 -0.02 -1.26 -2.40 135.00 127.18 2iiv n PRO 532 Ca 0.12 0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 2iiv n PRO 532 Cb 0.50 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2iiv n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2iiv n HIS 533 N -2.28 -1.93 -1.55 6.00 8.25 -1.26 -4.83 115.22 117.61 2iiv n HIS 533 Ca 0.15 0.53 -0.51 0.00 -0.26 0.00 0.00 57.72 57.63 2iiv n HIS 533 Cb 0.49 -3.69 -0.05 0.00 1.12 0.00 0.00 29.99 27.86 2iiv n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2iiv n PHE 534 N -4.25 1.09 -3.85 4.41 7.35 -1.01 -4.94 117.46 116.26 2iiv n PHE 534 Ca -0.05 0.75 -0.30 0.00 -0.76 0.00 0.00 57.45 57.09 2iiv n PHE 534 Cb 0.57 -2.23 -0.15 0.00 0.35 0.00 0.00 39.48 38.02 2iiv n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2iiv s ASP 535 N -0.00 4.25 0.00 -2.13 3.68 -1.26 -4.99 116.67 116.22 2iiv s ASP 535 Ca 0.77 -1.77 0.00 0.00 2.13 0.00 0.00 52.55 53.68 2iiv s ASP 535 Cb -0.94 -1.14 0.00 0.00 -1.45 0.00 0.00 42.92 39.38 2iiv s ASP 535 CO 0.52 -0.39 0.85 2.29 0.13 0.00 0.00 175.17 178.58 2iiv n LYS 536 N 4.63 0.00 0.00 4.34 2.85 -1.26 -0.30 118.16 128.42 2iiv n LYS 536 Ca -0.01 0.36 0.13 0.00 -1.05 0.00 0.00 58.31 57.75 2iiv n LYS 536 Cb 0.42 -1.55 0.39 0.00 -0.65 0.00 0.00 35.03 33.64 2iiv n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2iiv n SER 537 N -1.35 1.12 -4.83 -5.58 3.41 -1.26 -4.08 113.62 101.06 2iiv n SER 537 Ca 0.00 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.40 2iiv n SER 537 Cb 0.05 0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 2iiv n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2iiv s LYS 538 N -2.43 2.78 -0.30 4.33 1.02 0.59 -5.00 119.74 120.73 2iiv s LYS 538 Ca 0.26 -1.20 -0.10 0.00 0.02 0.00 0.00 55.97 54.94 2iiv s LYS 538 Cb 0.19 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2iiv s LYS 538 CO 0.49 0.24 0.17 0.15 -0.92 0.00 0.00 175.35 175.49 2iiv s LYS 539 N -3.91 3.56 -0.05 1.68 -0.14 -1.26 -4.08 119.74 115.55 2iiv s LYS 539 Ca 0.37 -0.57 -0.01 0.00 -1.36 0.00 0.00 55.97 54.40 2iiv s LYS 539 Cb -0.07 -3.61 -0.03 0.00 -1.68 0.00 0.00 37.83 32.44 2iiv s LYS 539 CO 0.25 -0.34 0.01 0.71 -0.76 0.00 0.00 175.35 175.22 2iiv s TYR 540 N 1.67 3.14 0.66 3.18 2.02 0.15 -4.65 117.35 123.53 2iiv s TYR 540 Ca 0.06 0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.77 2iiv s TYR 540 Cb -0.17 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2iiv s TYR 540 CO 0.08 0.47 1.09 -1.25 -1.57 0.00 0.00 175.55 174.37 2iiv s PRO 541 N -1.19 2.86 -0.03 -1.71 0.04 -1.26 -0.41 135.00 133.30 2iiv s PRO 541 Ca 0.16 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.49 2iiv s PRO 541 Cb -0.11 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2iiv s PRO 541 CO 0.06 -1.19 -0.07 -1.17 0.04 0.00 0.00 177.00 174.67 2iiv s LEU 542 N -4.99 1.67 -0.22 -3.56 0.20 -0.07 -1.98 118.68 109.73 2iiv s LEU 542 Ca 0.64 -0.17 -0.03 0.00 0.69 0.00 0.00 54.13 55.27 2iiv s LEU 542 Cb -0.18 -0.50 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 2iiv s LEU 542 CO 0.44 0.03 -0.06 -0.22 -0.29 0.00 0.00 176.35 176.24 2iiv s LEU 543 N 0.39 2.86 -0.35 -0.68 2.96 0.36 -0.30 118.68 123.93 2iiv s LEU 543 Ca -0.06 -0.51 -0.23 0.00 -0.22 0.00 0.00 54.13 53.11 2iiv s LEU 543 Cb -0.10 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.90 2iiv s LEU 543 CO 0.01 -0.04 0.77 -0.22 -1.32 0.00 0.00 176.35 175.54 2iiv s LEU 544 N 1.43 4.13 -0.36 -0.68 2.96 0.40 -1.19 118.68 125.38 2iiv s LEU 544 Ca 0.05 0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 54.19 2iiv s LEU 544 Cb -0.14 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.53 2iiv s LEU 544 CO -0.05 -0.68 0.60 -0.62 -1.32 0.00 0.00 176.35 174.28 2iiv s ASP 545 N 1.77 6.39 0.04 3.68 -1.08 0.15 -0.99 116.67 126.63 2iiv s ASP 545 Ca 0.31 0.08 0.07 0.00 -0.52 0.00 0.00 52.55 52.49 2iiv s ASP 545 Cb -0.14 -2.31 -0.02 0.00 -1.46 0.00 0.00 42.92 38.99 2iiv s ASP 545 CO 0.15 -0.56 -0.20 0.54 0.52 0.00 0.00 175.17 175.62 2iiv s VAL 546 N 2.61 1.59 0.00 1.11 0.11 -0.43 -4.31 120.40 121.08 2iiv s VAL 546 Ca 0.23 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 2iiv s VAL 546 Cb -0.15 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 2iiv s VAL 546 CO 0.14 0.21 0.00 0.00 -3.33 0.00 0.00 175.10 172.12 2iiv n TYR 547 N 1.93 0.00 -1.63 1.54 4.19 -1.26 -4.18 117.16 117.75 2iiv n TYR 547 Ca -0.17 0.00 -0.17 0.00 3.31 0.00 0.00 57.90 60.87 2iiv n TYR 547 Cb 0.53 0.08 -0.06 0.00 0.49 0.00 0.00 39.34 40.38 2iiv n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2iiv n ALA 548 N -1.96 -0.30 -1.18 2.98 0.00 -1.26 -3.26 120.51 115.54 2iiv n ALA 548 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 2iiv n ALA 548 Cb 0.00 -1.79 0.15 0.00 0.00 0.00 0.00 19.45 17.81 2iiv n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iiv s GLY 549 N -2.73 1.61 0.26 0.00 0.00 -1.26 -4.85 107.32 100.35 2iiv s GLY 549 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 2iiv s GLY 549 CO 0.00 0.40 1.67 2.56 0.00 0.00 0.00 173.10 177.73 2iiv s PRO 550 N -4.93 4.11 -1.20 2.90 0.04 -1.26 -2.22 135.00 132.45 2iiv s PRO 550 Ca 0.64 2.61 -0.04 0.00 0.04 0.00 0.00 61.00 64.25 2iiv s PRO 550 Cb -0.18 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2iiv s PRO 550 CO 0.57 -0.70 0.50 0.00 0.04 0.00 0.00 177.00 177.41 2iiv s SER 552 N -2.81 5.07 -0.19 0.00 1.04 -0.94 -4.31 113.70 111.57 2iiv s SER 552 Ca 0.25 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.83 2iiv s SER 552 Cb -0.11 -0.45 0.08 0.00 0.10 0.00 0.00 66.02 65.64 2iiv s SER 552 CO 0.31 -0.74 0.42 -1.58 0.98 0.00 0.00 173.24 172.63 2iiv s GLN 553 N -4.19 0.35 0.00 4.02 0.74 -1.26 -1.08 119.66 118.25 2iiv s GLN 553 Ca 0.48 0.95 0.02 0.00 0.05 0.00 0.00 55.36 56.87 2iiv s GLN 553 Cb -0.04 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.27 2iiv s GLN 553 CO 0.28 -0.22 0.26 1.63 -0.55 0.00 0.00 175.29 176.70 2iiv n LYS 554 N 4.97 3.80 -3.76 1.67 4.76 -1.26 -4.90 118.16 123.44 2iiv n LYS 554 Ca -0.14 -0.23 -0.37 0.00 -2.87 0.00 0.00 58.31 54.70 2iiv n LYS 554 Cb 0.52 -0.76 -0.12 0.00 -1.84 0.00 0.00 35.03 32.83 2iiv n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2iiv s ALA 555 N -0.84 3.06 0.34 7.82 0.00 -1.26 -4.80 121.76 126.08 2iiv s ALA 555 Ca 0.02 -1.95 -0.05 0.00 0.00 0.00 0.00 51.96 49.98 2iiv s ALA 555 Cb 0.02 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2iiv s ALA 555 CO 0.07 -1.45 0.53 -0.40 0.00 0.00 0.00 175.76 174.51 2iiv n ASP 556 N 4.76 -1.51 -1.60 0.00 5.68 -1.26 -4.47 116.55 118.15 2iiv n ASP 556 Ca -0.11 -2.72 0.08 0.00 -0.50 0.00 0.00 54.79 51.54 2iiv n ASP 556 Cb 0.44 2.71 0.35 0.00 -1.14 0.00 0.00 41.12 43.47 2iiv n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2iiv n THR 557 N -0.54 1.97 -2.60 2.12 -2.24 -1.02 -4.97 114.28 107.01 2iiv n THR 557 Ca -0.02 -1.15 -0.41 0.00 -2.27 0.00 0.00 64.05 60.21 2iiv n THR 557 Cb 0.56 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 2iiv n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2iiv s VAL 558 N -2.09 3.94 -0.10 2.28 1.01 -1.26 -1.58 120.40 122.59 2iiv s VAL 558 Ca 0.48 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 64.01 2iiv s VAL 558 Cb 0.33 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2iiv s VAL 558 CO 0.20 0.35 0.71 0.12 0.00 0.00 0.00 175.10 176.48 2iiv s PHE 559 N -0.62 3.52 0.03 5.22 5.36 -0.21 -4.92 117.98 126.36 2iiv s PHE 559 Ca 0.46 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 2iiv s PHE 559 Cb -0.28 -2.83 -0.02 0.00 -0.34 0.00 0.00 43.02 39.55 2iiv s PHE 559 CO 0.35 -0.01 -0.06 1.03 -1.46 0.00 0.00 175.22 175.07 2iiv s ARG 560 N 1.19 0.42 -0.32 10.12 0.52 -1.26 -4.92 118.95 124.71 2iiv s ARG 560 Ca 0.36 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2iiv s ARG 560 Cb -0.17 -0.19 0.08 0.00 0.52 0.00 0.00 34.95 35.18 2iiv s ARG 560 CO 0.16 0.03 0.02 -0.51 0.02 0.00 0.00 175.30 175.02 2iiv s LEU 561 N -1.22 4.26 0.00 2.53 1.43 -1.26 -4.87 118.68 119.55 2iiv s LEU 561 Ca -0.09 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 2iiv s LEU 561 Cb -0.08 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.48 2iiv s LEU 561 CO -0.00 -0.32 0.00 -0.46 0.23 0.00 0.00 176.35 175.80 2iiv n ASN 562 N 4.44 0.00 -0.14 2.29 0.23 -1.26 -4.99 115.26 115.83 2iiv n ASN 562 Ca -0.06 -0.38 -0.05 0.00 -0.53 0.00 0.00 54.58 53.56 2iiv n ASN 562 Cb 0.42 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.16 2iiv n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2iiv h TRP 563 N 0.38 0.36 -0.64 -2.53 7.01 -1.97 -1.10 115.95 117.45 2iiv h TRP 563 Ca 0.00 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.15 2iiv h TRP 563 Cb 0.00 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 2iiv h TRP 563 CO 0.00 0.16 0.44 0.00 -2.79 0.00 0.00 178.44 176.25 2iiv h ALA 564 N 1.26 2.17 -0.69 2.65 0.00 -1.98 -0.79 119.26 121.88 2iiv h ALA 564 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2iiv h ALA 564 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2iiv h ALA 564 CO -0.17 -0.34 0.29 1.15 0.00 0.00 0.00 179.25 180.19 2iiv h THR 565 N 0.31 1.24 -0.17 0.00 2.02 -1.54 -1.47 112.91 113.31 2iiv h THR 565 Ca 0.31 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 2iiv h THR 565 Cb 0.77 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2iiv h THR 565 CO -0.08 0.29 -0.20 0.22 0.37 0.00 0.00 175.52 176.13 2iiv h TYR 566 N 0.97 0.53 -0.88 3.16 3.20 -1.05 -0.64 116.97 122.25 2iiv h TYR 566 Ca 0.23 -0.17 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2iiv h TYR 566 Cb 0.18 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 2iiv h TYR 566 CO 0.01 0.83 0.55 -0.07 -1.64 0.00 0.00 178.16 177.84 2iiv h LEU 567 N 0.07 0.85 0.00 2.82 3.38 -1.03 0.73 115.31 122.14 2iiv h LEU 567 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2iiv h LEU 567 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2iiv h LEU 567 CO 0.05 0.54 -0.13 0.00 0.09 0.00 0.00 178.44 178.98 2iiv h ALA 568 N 1.43 0.01 -0.30 1.53 0.00 -1.27 -1.55 119.26 119.10 2iiv h ALA 568 Ca 0.39 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2iiv h ALA 568 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2iiv h ALA 568 CO -0.19 -0.00 -0.01 1.03 0.00 0.00 0.00 179.25 180.08 2iiv h SER 569 N -0.65 0.54 0.04 0.00 0.87 -0.95 -2.56 113.55 110.84 2iiv h SER 569 Ca -0.02 -0.32 -0.38 0.00 -1.23 0.00 0.00 61.79 59.84 2iiv h SER 569 Cb 0.92 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 2iiv h SER 569 CO 0.03 0.73 -2.31 0.41 -0.53 0.00 0.00 176.83 175.15 2iiv n THR 570 N -4.55 1.59 1.09 2.23 -1.04 0.23 -4.52 114.28 109.32 2iiv n THR 570 Ca -0.03 -0.60 0.12 0.00 -2.04 0.00 0.00 64.05 61.50 2iiv n THR 570 Cb 0.27 -1.53 0.14 0.00 -1.82 0.00 0.00 70.33 67.39 2iiv n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2iiv n GLU 571 N -3.34 0.94 -3.57 -2.82 -0.58 -0.88 -4.97 120.64 105.41 2iiv n GLU 571 Ca -0.41 -0.70 -0.23 0.00 -0.42 0.00 0.00 57.16 55.40 2iiv n GLU 571 Cb 1.01 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 30.47 2iiv n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2iiv n ASN 572 N -0.42 -5.27 -4.58 1.62 5.03 -0.67 -4.94 115.26 106.03 2iiv n ASN 572 Ca 0.10 -0.57 -0.34 0.00 0.87 0.00 0.00 54.58 54.64 2iiv n ASN 572 Cb 0.41 -5.01 -0.11 0.00 -1.02 0.00 0.00 39.78 34.05 2iiv n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2iiv s ILE 573 N -3.33 4.14 -0.04 2.41 1.01 -0.71 -4.47 121.20 120.21 2iiv s ILE 573 Ca 0.45 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.55 2iiv s ILE 573 Cb -0.20 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2iiv s ILE 573 CO 0.73 0.53 0.83 -0.63 0.00 0.00 0.00 174.94 176.41 2iiv s ILE 574 N -0.12 4.96 -0.30 2.92 1.01 -0.84 -3.50 121.20 125.33 2iiv s ILE 574 Ca 0.04 1.73 -0.04 0.00 0.00 0.00 0.00 60.65 62.38 2iiv s ILE 574 Cb -0.13 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2iiv s ILE 574 CO 0.02 0.20 0.04 -0.69 0.00 0.00 0.00 174.94 174.51 2iiv s VAL 575 N 0.97 3.42 0.21 2.92 1.01 -0.94 -0.49 120.40 127.49 2iiv s VAL 575 Ca 0.44 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2iiv s VAL 575 Cb -0.19 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2iiv s VAL 575 CO 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 175.10 175.29 2iiv s ALA 576 N 1.36 3.20 0.02 5.51 0.00 -0.33 -0.22 121.76 131.30 2iiv s ALA 576 Ca -0.02 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2iiv s ALA 576 Cb -0.19 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2iiv s ALA 576 CO 0.00 0.40 -0.03 -1.12 0.00 0.00 0.00 175.76 175.02 2iiv s SER 577 N -3.20 0.28 -0.01 0.00 0.01 -0.45 0.33 113.70 110.66 2iiv s SER 577 Ca 0.29 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2iiv s SER 577 Cb -0.08 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2iiv s SER 577 CO 0.19 -0.24 -0.04 0.12 0.41 0.00 0.00 173.24 173.68 2iiv s PHE 578 N -1.23 0.43 -0.48 2.43 5.36 -1.26 -1.02 117.98 122.21 2iiv s PHE 578 Ca -0.13 -0.08 -0.09 0.00 -0.96 0.00 0.00 56.93 55.68 2iiv s PHE 578 Cb -0.09 -0.31 0.12 0.00 -0.34 0.00 0.00 43.02 42.41 2iiv s PHE 578 CO -0.01 -0.03 0.35 -0.51 -1.46 0.00 0.00 175.22 173.56 2iiv s ASP 579 N 0.06 5.68 0.00 6.13 1.01 -0.11 -4.82 116.67 124.61 2iiv s ASP 579 Ca -0.00 -1.96 0.00 0.00 0.71 0.00 0.00 52.55 51.29 2iiv s ASP 579 Cb -0.04 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.90 2iiv s ASP 579 CO -0.00 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.31 2iiv n GLY 580 N 4.83 1.78 3.77 0.21 0.00 -1.26 -4.06 105.19 110.46 2iiv n GLY 580 Ca -0.07 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 2iiv n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iiv s ARG 581 N 3.25 3.74 0.00 1.61 0.52 -1.26 -1.32 118.95 125.50 2iiv s ARG 581 Ca 0.00 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 2iiv s ARG 581 Cb 0.00 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.79 2iiv s ARG 581 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 174.97 2iiv n GLY 582 N 0.59 3.33 3.77 -3.53 0.00 0.39 -4.11 105.19 105.63 2iiv n GLY 582 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2iiv n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iiv s SER 583 N -1.03 4.53 0.38 1.61 1.04 -0.43 0.12 113.70 119.92 2iiv s SER 583 Ca 0.00 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.30 2iiv s SER 583 Cb 0.00 -2.51 0.06 0.00 0.10 0.00 0.00 66.02 63.67 2iiv s SER 583 CO 0.00 -2.01 0.50 0.61 0.98 0.00 0.00 173.24 173.32 2iiv n GLY 584 N -1.25 2.07 2.66 7.32 0.00 -0.24 -3.64 105.19 112.12 2iiv n GLY 584 Ca 0.09 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 2iiv n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iiv n TYR 585 N -1.78 0.00 -1.12 1.61 4.01 -1.26 -4.80 117.16 113.81 2iiv n TYR 585 Ca 0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.87 2iiv n TYR 585 Cb 0.40 -2.44 0.05 0.00 -0.31 0.00 0.00 39.34 37.04 2iiv n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2iiv n GLN 586 N -1.23 1.04 0.00 -0.72 6.02 -1.26 -4.38 117.38 116.85 2iiv n GLN 586 Ca -0.10 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.30 2iiv n GLN 586 Cb 0.51 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.81 2iiv n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2iiv n GLY 587 N -0.62 1.43 0.23 1.08 0.00 -1.26 -4.65 105.19 101.40 2iiv n GLY 587 Ca 0.06 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.38 2iiv n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2iiv h ASP 588 N 0.00 0.00 -0.88 1.61 3.32 -0.65 -1.78 116.42 118.04 2iiv h ASP 588 Ca 0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.18 2iiv h ASP 588 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2iiv h ASP 588 CO 0.00 0.22 0.49 0.50 -1.72 0.00 0.00 179.24 178.73 2iiv h LYS 589 N 0.00 0.73 0.06 3.56 1.63 -1.87 0.23 116.57 120.91 2iiv h LYS 589 Ca -0.00 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.58 2iiv h LYS 589 Cb 0.45 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2iiv h LYS 589 CO 0.03 0.48 -0.88 0.82 -3.45 0.00 0.00 179.45 176.45 2iiv h ILE 590 N 0.75 1.30 -0.46 2.00 2.04 -1.76 -3.31 117.51 118.07 2iiv h ILE 590 Ca 0.45 -2.35 -0.05 0.00 1.00 0.00 0.00 64.86 63.91 2iiv h ILE 590 Cb 0.54 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 2iiv h ILE 590 CO -0.31 0.58 0.07 -0.03 0.00 0.00 0.00 178.15 178.47 2iiv h MET 591 N -0.68 0.76 -0.01 2.37 4.05 -1.11 0.12 114.93 120.42 2iiv h MET 591 Ca -0.20 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 2iiv h MET 591 Cb 1.41 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 2iiv h MET 591 CO -0.01 0.78 0.00 0.72 0.23 0.00 0.00 176.91 178.63 2iiv n HIS 592 N -4.45 0.01 0.21 1.39 8.25 0.79 -3.92 115.22 117.50 2iiv n HIS 592 Ca 0.00 -0.01 0.16 0.00 -0.26 0.00 0.00 57.72 57.61 2iiv n HIS 592 Cb 0.25 0.00 0.80 0.00 1.12 0.00 0.00 29.99 32.16 2iiv n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2iiv h ALA 593 N 3.96 1.85 -0.71 -1.41 0.00 -1.60 -1.06 119.26 120.29 2iiv h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2iiv h ALA 593 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2iiv h ALA 593 CO 0.00 -0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.46 2iiv n ILE 594 N -3.99 1.38 -1.65 0.00 -5.35 -1.25 -4.92 119.36 103.57 2iiv n ILE 594 Ca 0.01 -1.08 -0.47 0.00 -0.27 0.00 0.00 62.75 60.94 2iiv n ILE 594 Cb 0.27 0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 38.45 2iiv n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2iiv n ASN 595 N 1.45 2.76 -0.76 7.28 4.05 -0.40 -0.52 115.26 129.11 2iiv n ASN 595 Ca 0.25 1.09 -0.09 0.00 0.45 0.00 0.00 54.58 56.28 2iiv n ASN 595 Cb 0.75 -1.38 -0.04 0.00 1.23 0.00 0.00 39.78 40.34 2iiv n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2iiv n ARG 596 N 3.13 -1.73 -2.80 1.20 1.74 0.26 -4.82 116.66 113.65 2iiv n ARG 596 Ca 0.17 0.80 -0.11 0.00 -0.77 0.00 0.00 57.85 57.94 2iiv n ARG 596 Cb 0.27 -5.17 0.04 0.00 -1.02 0.00 0.00 32.46 26.58 2iiv n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2iiv n ARG 597 N -0.62 1.10 -1.63 5.56 3.00 0.32 -4.92 116.66 119.47 2iiv n ARG 597 Ca -0.09 -2.90 -0.34 0.00 -0.01 0.00 0.00 57.85 54.51 2iiv n ARG 597 Cb 0.55 -1.11 0.07 0.00 0.00 0.00 0.00 32.46 31.97 2iiv n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2iiv s LEU 598 N -2.90 3.39 -0.18 0.55 1.43 -1.23 -3.09 118.68 116.65 2iiv s LEU 598 Ca 0.29 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2iiv s LEU 598 Cb 0.41 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 42.05 2iiv s LEU 598 CO -0.02 -1.93 0.00 0.61 0.23 0.00 0.00 176.35 175.24 2iiv n GLY 599 N 0.05 0.52 0.00 -3.19 0.00 -1.26 -4.86 105.19 96.45 2iiv n GLY 599 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2iiv n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iiv n THR 600 N -2.93 0.00 -0.27 2.61 -2.24 -1.18 -4.77 114.28 105.50 2iiv n THR 600 Ca -0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.79 2iiv n THR 600 Cb 0.06 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.54 2iiv n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2iiv h PHE 601 N 0.00 1.00 -0.02 4.78 0.04 -1.92 -1.04 116.94 119.78 2iiv h PHE 601 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 2iiv h PHE 601 Cb 0.00 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 2iiv h PHE 601 CO 0.00 0.56 -0.35 1.05 -0.60 0.00 0.00 178.31 178.98 2iiv h GLU 602 N 1.02 0.03 0.00 1.51 9.09 -1.90 0.19 114.58 124.52 2iiv h GLU 602 Ca 0.35 -0.01 -0.07 0.00 0.05 0.00 0.00 59.36 59.67 2iiv h GLU 602 Cb 0.09 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2iiv h GLU 602 CO -0.11 0.38 -0.28 0.28 0.05 0.00 0.00 179.01 179.32 2iiv h VAL 603 N 0.03 1.54 -0.92 -1.06 2.07 -1.64 -3.18 116.25 113.09 2iiv h VAL 603 Ca 0.00 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 65.56 2iiv h VAL 603 Cb 0.63 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 2iiv h VAL 603 CO 0.05 0.54 0.61 -0.33 0.02 0.00 0.00 177.57 178.46 2iiv h GLU 604 N -0.48 1.18 -0.24 1.57 5.08 -1.10 -2.57 114.58 118.02 2iiv h GLU 604 Ca -0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2iiv h GLU 604 Cb 1.05 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2iiv h GLU 604 CO 0.06 0.78 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.24 2iiv h ASP 605 N 1.21 0.40 -0.48 1.42 3.32 -1.04 -0.33 116.42 120.92 2iiv h ASP 605 Ca 0.35 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 2iiv h ASP 605 Cb -0.08 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2iiv h ASP 605 CO -0.09 0.59 -0.15 1.56 -1.72 0.00 0.00 179.24 179.43 2iiv h GLN 606 N 0.38 0.95 -0.35 3.56 1.08 -1.45 -0.62 115.11 118.67 2iiv h GLN 606 Ca 0.07 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 56.87 2iiv h GLN 606 Cb 0.52 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2iiv h GLN 606 CO 0.03 1.04 0.13 0.82 -0.95 0.00 0.00 178.83 179.91 2iiv h ILE 607 N 0.80 1.19 -0.69 2.54 2.04 -1.17 -0.78 117.51 121.44 2iiv h ILE 607 Ca 0.12 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.42 2iiv h ILE 607 Cb 0.71 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 2iiv h ILE 607 CO 0.05 0.21 0.42 -0.08 0.00 0.00 0.00 178.15 178.75 2iiv h GLU 608 N 0.41 0.77 -0.21 2.37 4.22 -0.93 0.12 114.58 121.34 2iiv h GLU 608 Ca 0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 2iiv h GLU 608 Cb 0.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2iiv h GLU 608 CO -0.01 0.51 0.10 0.00 -2.18 0.00 0.00 179.01 177.43 2iiv h ALA 609 N 1.32 0.28 -0.71 2.92 0.00 -0.74 -0.86 119.26 121.47 2iiv h ALA 609 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2iiv h ALA 609 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2iiv h ALA 609 CO -0.14 -0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.31 2iiv h ALA 610 N 0.97 1.30 -0.74 0.00 0.00 -0.68 0.15 119.26 120.25 2iiv h ALA 610 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2iiv h ALA 610 Cb 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2iiv h ALA 610 CO -0.01 0.56 0.46 -0.09 0.00 0.00 0.00 179.25 180.17 2iiv h ARG 611 N 1.00 1.00 -0.14 0.00 2.43 -0.35 0.14 114.38 118.46 2iiv h ARG 611 Ca 0.25 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2iiv h ARG 611 Cb 0.07 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2iiv h ARG 611 CO -0.04 0.69 -0.16 1.96 -1.51 0.00 0.00 179.97 180.92 2iiv h GLN 612 N 1.01 0.36 -0.79 0.20 4.20 -0.17 -2.84 115.11 117.08 2iiv h GLN 612 Ca 0.27 -0.20 0.05 0.00 0.06 0.00 0.00 58.65 58.83 2iiv h GLN 612 Cb -0.06 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 2iiv h GLN 612 CO -0.05 0.76 0.52 0.74 -0.67 0.00 0.00 178.83 180.12 2iiv h PHE 613 N -0.02 0.91 0.00 2.96 0.04 -0.50 0.26 116.94 120.58 2iiv h PHE 613 Ca 0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2iiv h PHE 613 Cb 0.70 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2iiv h PHE 613 CO 0.09 0.51 -0.06 0.66 -0.60 0.00 0.00 178.31 178.90 2iiv h SER 614 N 0.92 0.00 1.04 2.17 4.64 -0.57 -1.10 113.55 120.65 2iiv h SER 614 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2iiv h SER 614 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2iiv h SER 614 CO -0.10 0.06 -0.24 0.29 -0.87 0.00 0.00 176.83 175.97 2iiv n LYS 615 N -3.40 0.16 -2.43 4.77 5.02 0.07 -4.57 118.16 117.77 2iiv n LYS 615 Ca -0.02 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 2iiv n LYS 615 Cb 0.21 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 2iiv n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2iiv s MET 616 N -3.08 3.76 0.45 1.97 -1.94 -0.42 -4.94 119.30 115.12 2iiv s MET 616 Ca 0.10 1.52 0.13 0.00 -1.71 0.00 0.00 55.69 55.74 2iiv s MET 616 Cb 0.15 -2.22 1.06 0.00 2.01 0.00 0.00 34.83 35.83 2iiv s MET 616 CO 0.63 -0.49 2.04 0.78 -0.01 0.00 0.00 175.02 177.97 2iiv h GLY 617 N 1.75 0.40 -1.26 -0.03 0.00 -1.89 -2.75 103.07 99.29 2iiv h GLY 617 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2iiv h GLY 617 CO 0.59 0.11 0.00 1.97 0.00 0.00 0.00 176.54 179.21 2iiv n PHE 618 N -4.48 0.44 -4.52 5.60 1.16 -1.26 -4.58 117.46 109.83 2iiv n PHE 618 Ca 0.05 -0.22 -0.33 0.00 -1.87 0.00 0.00 57.45 55.08 2iiv n PHE 618 Cb 0.23 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.97 2iiv n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2iiv s VAL 619 N -1.56 3.65 -0.78 1.97 1.01 -1.04 0.33 120.40 123.97 2iiv s VAL 619 Ca 0.27 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2iiv s VAL 619 Cb 0.14 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 34.00 2iiv s VAL 619 CO 0.19 0.51 1.18 -0.62 0.00 0.00 0.00 175.10 176.36 2iiv s ASP 620 N 0.32 6.28 0.00 3.32 -1.08 0.45 -4.72 116.67 121.24 2iiv s ASP 620 Ca -0.06 -1.02 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 2iiv s ASP 620 Cb -0.15 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2iiv s ASP 620 CO 0.04 -1.54 0.89 -0.46 0.52 0.00 0.00 175.17 174.61 2iiv n ASN 621 N 8.34 0.00 0.11 -0.34 2.04 -1.26 0.00 115.26 124.15 2iiv n ASN 621 Ca 0.08 0.39 0.12 0.00 -0.44 0.00 0.00 54.58 54.73 2iiv n ASN 621 Cb 0.48 -0.39 0.14 0.00 -2.53 0.00 0.00 39.78 37.48 2iiv n ASN 621 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 2iiv h LYS 622 N 0.00 0.00 -2.54 -3.83 1.57 -1.94 -3.40 116.57 106.43 2iiv h LYS 622 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2iiv h LYS 622 Cb 0.06 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.97 2iiv h LYS 622 CO 0.00 0.00 -0.73 0.54 -0.57 0.00 0.00 179.45 178.69 2iiv n ARG 623 N -2.49 1.54 -4.71 3.15 1.74 0.10 -4.82 116.66 111.17 2iiv n ARG 623 Ca 0.03 -4.10 -0.31 0.00 -0.77 0.00 0.00 57.85 52.69 2iiv n ARG 623 Cb 0.49 -2.01 -0.17 0.00 -1.02 0.00 0.00 32.46 29.76 2iiv n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2iiv s ILE 624 N -1.41 1.86 0.39 0.55 1.01 -1.26 -0.89 121.20 121.45 2iiv s ILE 624 Ca 0.32 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.16 2iiv s ILE 624 Cb 0.06 -1.65 -0.07 0.00 0.01 0.00 0.00 42.46 40.81 2iiv s ILE 624 CO -0.12 0.51 0.02 0.00 0.00 0.00 0.00 174.94 175.35 2iiv s ALA 625 N 0.77 3.01 -0.09 9.38 0.00 0.59 -0.67 121.76 134.74 2iiv s ALA 625 Ca -0.09 -2.13 -0.09 0.00 0.00 0.00 0.00 51.96 49.65 2iiv s ALA 625 Cb -0.16 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2iiv s ALA 625 CO 0.00 -0.17 0.25 -1.50 0.00 0.00 0.00 175.76 174.34 2iiv s ILE 626 N -2.88 0.00 0.01 0.00 2.07 -0.94 -0.45 121.20 119.02 2iiv s ILE 626 Ca 0.34 -0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.44 2iiv s ILE 626 Cb 0.09 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.34 2iiv s ILE 626 CO 0.17 -0.01 0.26 -1.66 -1.91 0.00 0.00 174.94 171.79 2iiv s TRP 627 N 0.11 -0.08 0.11 3.50 1.48 -0.16 -1.47 118.94 122.42 2iiv s TRP 627 Ca -0.00 0.03 -0.25 0.00 -1.06 0.00 0.00 56.10 54.82 2iiv s TRP 627 Cb -0.02 0.05 0.08 0.00 -1.16 0.00 0.00 33.47 32.42 2iiv s TRP 627 CO 0.00 -0.41 0.76 0.20 -4.06 0.00 0.00 176.95 173.44 2iiv s GLY 628 N -1.65 -0.47 0.03 3.67 0.00 -0.77 -1.31 107.32 106.83 2iiv s GLY 628 Ca -0.10 0.56 0.08 0.00 0.00 0.00 0.00 44.72 45.26 2iiv s GLY 628 CO 0.01 0.18 -0.22 0.86 0.00 0.00 0.00 173.10 173.93 2iiv s TRP 629 N -3.49 1.95 0.00 1.90 -0.11 -1.26 -1.51 118.94 116.42 2iiv s TRP 629 Ca 0.05 -0.38 0.00 0.00 1.22 0.00 0.00 56.10 56.99 2iiv s TRP 629 Cb -0.02 -1.19 0.00 0.00 -1.50 0.00 0.00 33.47 30.77 2iiv s TRP 629 CO -0.08 0.07 0.00 0.45 -4.62 0.00 0.00 176.95 172.77 2iiv n SER 630 N 1.98 0.00 0.15 5.86 2.88 -0.11 -0.55 113.62 123.84 2iiv n SER 630 Ca -0.17 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.44 2iiv n SER 630 Cb 0.53 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.53 2iiv n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2iiv h TYR 631 N 0.00 0.21 0.00 0.66 5.03 -1.86 0.21 116.97 121.22 2iiv h TYR 631 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 2iiv h TYR 631 Cb 0.00 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 2iiv h TYR 631 CO 0.00 0.14 -0.21 0.78 -1.32 0.00 0.00 178.16 177.55 2iiv h GLY 632 N 0.24 0.00 1.02 1.82 0.00 -0.80 -1.59 103.07 103.76 2iiv h GLY 632 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 2iiv h GLY 632 CO -0.01 0.00 -0.45 -1.33 0.00 0.00 0.00 176.54 174.74 2iiv h GLY 633 N 1.40 0.79 0.93 4.60 0.00 -0.52 -0.82 103.07 109.45 2iiv h GLY 633 Ca -0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.38 2iiv h GLY 633 CO 0.03 0.84 -0.22 -1.82 0.00 0.00 0.00 176.54 175.36 2iiv h TYR 634 N 0.45 -0.58 -0.89 5.60 3.20 -0.97 -1.32 116.97 122.46 2iiv h TYR 634 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2iiv h TYR 634 Cb 1.06 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 2iiv h TYR 634 CO 0.08 -0.35 0.53 0.28 -1.64 0.00 0.00 178.16 177.07 2iiv h VAL 635 N -0.58 1.24 -0.45 1.81 2.07 -1.32 0.16 116.25 119.19 2iiv h VAL 635 Ca -0.05 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2iiv h VAL 635 Cb 0.46 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2iiv h VAL 635 CO 0.06 0.26 0.29 0.74 0.02 0.00 0.00 177.57 178.93 2iiv h THR 636 N 1.23 1.13 -0.36 2.57 2.02 -1.01 0.11 112.91 118.59 2iiv h THR 636 Ca 0.32 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 2iiv h THR 636 Cb -0.05 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2iiv h THR 636 CO -0.06 0.13 0.05 0.28 0.37 0.00 0.00 175.52 176.29 2iiv h SER 637 N 0.60 0.59 -0.66 4.18 0.02 -0.47 -0.48 113.55 117.33 2iiv h SER 637 Ca 0.16 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2iiv h SER 637 Cb -0.04 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2iiv h SER 637 CO -0.03 0.71 0.39 0.24 -1.14 0.00 0.00 176.83 176.99 2iiv h MET 638 N 0.44 0.92 -0.08 3.45 2.86 -0.54 -1.10 114.93 120.88 2iiv h MET 638 Ca 0.11 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2iiv h MET 638 Cb 0.38 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2iiv h MET 638 CO 0.01 0.66 -0.04 0.28 1.06 0.00 0.00 176.91 178.87 2iiv h VAL 639 N 0.93 1.33 0.00 -2.22 2.07 -0.43 -2.51 116.25 115.43 2iiv h VAL 639 Ca 0.24 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2iiv h VAL 639 Cb -0.01 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2iiv h VAL 639 CO -0.04 0.30 -0.08 -0.07 0.02 0.00 0.00 177.57 177.70 2iiv h LEU 640 N -0.21 0.00 -2.86 2.57 3.38 -0.81 -1.51 115.31 115.86 2iiv h LEU 640 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2iiv h LEU 640 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2iiv h LEU 640 CO 0.01 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2iiv n GLY 641 N -1.01 2.53 0.17 0.83 0.00 -0.44 -4.31 105.19 102.97 2iiv n GLY 641 Ca -0.02 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.24 2iiv n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iiv h SER 642 N 4.18 0.00 -0.02 1.61 4.64 -0.81 -3.43 113.55 119.72 2iiv h SER 642 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2iiv h SER 642 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2iiv h SER 642 CO 0.11 0.31 -0.01 0.61 -0.87 0.00 0.00 176.83 176.99 2iiv n GLY 643 N 1.14 0.47 0.25 -0.77 0.00 -1.26 -4.93 105.19 100.10 2iiv n GLY 643 Ca 0.03 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.75 2iiv n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iiv h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.46 113.55 114.43 2iiv h SER 644 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2iiv h SER 644 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2iiv h SER 644 CO 0.01 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2iiv n GLY 645 N -0.80 1.52 0.11 -0.77 0.00 -1.26 -4.89 105.19 99.10 2iiv n GLY 645 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2iiv n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2iiv h VAL 646 N 0.00 1.55 -3.10 1.61 2.07 -1.97 -3.45 116.25 112.96 2iiv h VAL 646 Ca 0.00 -2.69 -0.65 0.00 0.82 0.00 0.00 66.70 64.18 2iiv h VAL 646 Cb 0.00 2.46 -0.13 0.00 -1.52 0.00 0.00 31.29 32.10 2iiv h VAL 646 CO 0.00 0.77 -0.56 -0.36 0.02 0.00 0.00 177.57 177.45 2iiv s PHE 647 N -3.20 3.33 -0.03 1.57 0.08 -1.26 -4.58 117.98 113.88 2iiv s PHE 647 Ca -0.01 0.25 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 2iiv s PHE 647 Cb 0.11 -1.94 -0.26 0.00 -0.57 0.00 0.00 43.02 40.35 2iiv s PHE 647 CO 0.80 0.43 0.73 -0.22 -0.10 0.00 0.00 175.22 176.86 2iiv h LYS 648 N 5.69 0.20 -3.31 0.44 3.64 -1.22 -3.45 116.57 118.55 2iiv h LYS 648 Ca -0.47 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 2iiv h LYS 648 Cb 1.19 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 2iiv h LYS 648 CO 0.62 1.01 0.06 0.00 -2.27 0.00 0.00 179.45 178.87 2iiv s GLY 650 N -2.95 -0.48 -0.07 0.00 0.00 -0.04 -2.21 107.32 101.58 2iiv s GLY 650 Ca 0.15 0.83 0.01 0.00 0.00 0.00 0.00 44.72 45.71 2iiv s GLY 650 CO 0.06 0.27 -0.06 -0.42 0.00 0.00 0.00 173.10 172.95 2iiv s ILE 651 N -3.28 0.76 -0.19 0.90 1.01 -0.54 -1.55 121.20 118.31 2iiv s ILE 651 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2iiv s ILE 651 Cb -0.01 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 2iiv s ILE 651 CO -0.09 0.29 -0.11 0.00 0.00 0.00 0.00 174.94 175.03 2iiv s ALA 652 N 1.12 2.62 -0.16 9.38 0.00 -0.57 -1.84 121.76 132.32 2iiv s ALA 652 Ca -0.07 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 2iiv s ALA 652 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 2iiv s ALA 652 CO -0.01 -0.24 -0.08 0.08 0.00 0.00 0.00 175.76 175.51 2iiv s VAL 653 N 1.15 3.42 -1.32 0.00 1.01 -0.57 -1.36 120.40 122.74 2iiv s VAL 653 Ca 0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 2iiv s VAL 653 Cb -0.14 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.78 2iiv s VAL 653 CO -0.04 0.49 0.48 0.00 0.00 0.00 0.00 175.10 176.04 2iiv n ALA 654 N 3.82 -2.42 -2.15 5.51 0.00 0.36 -0.94 120.51 124.69 2iiv n ALA 654 Ca -0.18 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 2iiv n ALA 654 Cb 0.52 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 2iiv n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2iiv s PRO 655 N -7.36 3.70 0.18 0.00 0.04 -1.26 -3.15 135.00 127.16 2iiv s PRO 655 Ca 0.34 0.46 -0.25 0.00 0.04 0.00 0.00 61.00 61.58 2iiv s PRO 655 Cb -0.18 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 2iiv s PRO 655 CO 0.98 -0.16 0.80 0.08 0.04 0.00 0.00 177.00 178.73 2iiv s VAL 656 N -2.59 4.34 -0.00 -0.36 1.01 -1.25 -4.49 120.40 117.06 2iiv s VAL 656 Ca 0.51 1.72 0.02 0.00 0.00 0.00 0.00 61.98 64.23 2iiv s VAL 656 Cb -0.10 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2iiv s VAL 656 CO 0.38 0.49 0.03 -1.54 0.00 0.00 0.00 175.10 174.46 2iiv n SER 657 N 1.49 4.65 -3.66 3.32 3.41 -1.26 -4.10 113.62 117.46 2iiv n SER 657 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.48 2iiv n SER 657 Cb 0.49 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.36 2iiv n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iiv s ARG 658 N -2.10 0.56 0.63 4.33 1.70 -1.26 -0.60 118.95 122.21 2iiv s ARG 658 Ca -0.01 1.04 0.37 0.00 -0.47 0.00 0.00 55.73 56.66 2iiv s ARG 658 Cb 0.01 0.09 2.08 0.00 -0.57 0.00 0.00 34.95 36.56 2iiv s ARG 658 CO 0.06 -0.16 2.28 -1.49 -1.08 0.00 0.00 175.30 174.92 2iiv h TRP 659 N 7.11 0.00 0.00 5.89 4.06 -1.85 -1.39 115.95 129.77 2iiv h TRP 659 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 2iiv h TRP 659 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2iiv h TRP 659 CO 0.14 0.00 0.00 0.93 -3.56 0.00 0.00 178.44 175.95 2iiv h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.91 -2.63 114.58 115.61 2iiv h GLU 660 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2iiv h GLU 660 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2iiv h GLU 660 CO -0.00 0.00 -0.57 1.88 -1.00 0.00 0.00 179.01 179.32 2iiv h TYR 661 N 0.00 0.00 -3.59 4.33 0.05 -1.62 -3.29 116.97 112.85 2iiv h TYR 661 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 2iiv h TYR 661 Cb 0.35 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.16 2iiv h TYR 661 CO 0.00 0.02 0.19 -0.47 -1.05 0.00 0.00 178.16 176.85 2iiv s TYR 662 N -3.28 2.97 0.70 4.88 5.04 -0.99 -4.83 117.35 121.84 2iiv s TYR 662 Ca 0.03 0.42 -0.14 0.00 -2.44 0.00 0.00 57.07 54.94 2iiv s TYR 662 Cb 0.08 -3.05 0.02 0.00 0.35 0.00 0.00 41.96 39.35 2iiv s TYR 662 CO 0.74 -1.23 1.12 0.16 -1.34 0.00 0.00 175.55 175.00 2iiv s ASP 663 N -4.47 4.78 0.05 4.32 1.47 -1.26 -1.16 116.67 120.41 2iiv s ASP 663 Ca 0.59 2.04 -0.25 0.00 1.18 0.00 0.00 52.55 56.10 2iiv s ASP 663 Cb -0.11 -2.55 -0.17 0.00 -0.34 0.00 0.00 42.92 39.75 2iiv s ASP 663 CO 0.44 -1.85 1.55 0.77 0.68 0.00 0.00 175.17 176.76 2iiv h SER 664 N -0.28 -0.17 -0.49 2.11 4.64 -0.79 -2.32 113.55 116.25 2iiv h SER 664 Ca -0.46 -0.12 0.07 0.00 -0.47 0.00 0.00 61.79 60.81 2iiv h SER 664 Cb 1.25 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.33 2iiv h SER 664 CO 0.52 0.01 0.15 0.58 -0.87 0.00 0.00 176.83 177.23 2iiv h VAL 665 N -0.35 0.81 0.00 0.95 2.07 -1.94 0.18 116.25 117.97 2iiv h VAL 665 Ca -0.02 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2iiv h VAL 665 Cb 0.28 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2iiv h VAL 665 CO 0.03 0.06 -0.18 0.22 0.02 0.00 0.00 177.57 177.72 2iiv h TYR 666 N 0.32 0.18 0.42 1.57 5.03 -1.93 -3.22 116.97 119.33 2iiv h TYR 666 Ca 0.24 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 2iiv h TYR 666 Cb 0.27 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.53 2iiv h TYR 666 CO -0.18 0.90 -0.20 1.15 -1.32 0.00 0.00 178.16 178.52 2iiv h THR 667 N -0.59 0.59 0.00 1.81 2.02 -1.26 -2.97 112.91 112.50 2iiv h THR 667 Ca -0.02 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2iiv h THR 667 Cb 0.95 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2iiv h THR 667 CO 0.04 0.03 -0.02 -0.33 0.37 0.00 0.00 175.52 175.60 2iiv h GLU 668 N -0.64 0.00 -0.93 6.66 5.08 -1.14 0.20 114.58 123.81 2iiv h GLU 668 Ca -0.06 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 2iiv h GLU 668 Cb 0.47 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 2iiv h GLU 668 CO 0.09 0.02 0.59 -0.09 -1.00 0.00 0.00 179.01 178.62 2iiv h ARG 669 N 0.00 0.74 0.00 2.33 2.43 -1.53 0.20 114.38 118.56 2iiv h ARG 669 Ca -0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 2iiv h ARG 669 Cb 0.03 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2iiv h ARG 669 CO 0.00 0.49 -1.88 0.66 -1.51 0.00 0.00 179.97 177.74 2iiv n TYR 670 N -4.59 0.00 0.40 2.20 4.01 -0.63 -4.56 117.16 113.99 2iiv n TYR 670 Ca 0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.97 2iiv n TYR 670 Cb 0.45 -0.54 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 2iiv n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2iiv n MET 671 N -2.28 1.46 0.00 -0.72 2.81 0.60 0.91 117.12 119.90 2iiv n MET 671 Ca -0.12 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.01 2iiv n MET 671 Cb 0.67 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2iiv n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2iiv n GLY 672 N 0.73 -0.35 3.85 3.03 0.00 0.70 -4.67 105.19 108.48 2iiv n GLY 672 Ca 0.04 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 2iiv n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iiv s LEU 673 N 0.00 4.30 -0.79 0.99 1.43 -1.26 -4.33 118.68 119.02 2iiv s LEU 673 Ca 0.00 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.08 2iiv s LEU 673 Cb 0.00 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.78 2iiv s LEU 673 CO 0.00 0.07 3.05 -0.81 0.23 0.00 0.00 176.35 178.89 2iiv n PRO 674 N 0.61 3.03 -4.36 1.29 -0.04 -1.26 -1.23 135.00 133.04 2iiv n PRO 674 Ca -0.04 -2.05 -0.28 0.00 -0.04 0.00 0.00 63.50 61.09 2iiv n PRO 674 Cb 0.52 -2.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.49 2iiv n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2iiv s THR 675 N 0.31 2.57 0.49 0.52 -4.23 -1.26 -4.59 115.64 109.45 2iiv s THR 675 Ca 0.64 -1.75 0.16 0.00 -1.18 0.00 0.00 61.69 59.57 2iiv s THR 675 Cb 0.27 -2.20 0.31 0.00 1.34 0.00 0.00 72.50 72.22 2iiv s THR 675 CO -0.08 0.01 2.07 1.55 -0.54 0.00 0.00 174.62 177.63 2iiv h PRO 676 N 3.53 0.16 0.00 3.99 0.13 -1.96 0.66 132.00 138.51 2iiv h PRO 676 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2iiv h PRO 676 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2iiv h PRO 676 CO 0.45 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 2iiv n GLU 677 N -4.48 0.00 0.00 0.86 4.71 -1.26 -4.64 120.64 115.83 2iiv n GLU 677 Ca 0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2iiv n GLU 677 Cb 0.25 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 2iiv n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2iiv n ASP 678 N -1.50 0.00 -0.71 1.62 -0.08 0.13 -5.03 116.55 110.98 2iiv n ASP 678 Ca 0.07 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.36 2iiv n ASP 678 Cb 0.32 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.79 2iiv n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2iiv n ASN 679 N -0.30 0.34 -0.30 1.67 5.15 -0.37 -4.90 115.26 116.56 2iiv n ASN 679 Ca 0.00 -2.07 0.09 0.00 -0.60 0.00 0.00 54.58 52.00 2iiv n ASN 679 Cb 0.00 -0.24 0.25 0.00 -0.53 0.00 0.00 39.78 39.26 2iiv n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2iiv h LEU 680 N 0.24 0.47 -0.49 1.20 5.85 -1.36 -2.01 115.31 119.20 2iiv h LEU 680 Ca -0.05 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2iiv h LEU 680 Cb 1.49 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.49 2iiv h LEU 680 CO 0.02 0.15 0.05 0.44 -0.34 0.00 0.00 178.44 178.77 2iiv h ASP 681 N 0.56 -0.11 0.40 1.25 5.19 -1.90 -0.73 116.42 121.08 2iiv h ASP 681 Ca 0.49 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.90 2iiv h ASP 681 Cb 0.77 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2iiv h ASP 681 CO -0.41 -0.02 -0.46 -0.74 -3.12 0.00 0.00 179.24 174.49 2iiv h HIS 682 N 0.17 0.09 -0.77 4.55 2.76 -1.74 -0.86 115.15 119.35 2iiv h HIS 682 Ca 0.25 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2iiv h HIS 682 Cb 0.36 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 2iiv h HIS 682 CO -0.27 0.52 0.50 1.88 -1.30 0.00 0.00 177.93 179.26 2iiv h TYR 683 N 0.06 0.94 0.00 5.26 0.05 -0.85 -1.93 116.97 120.50 2iiv h TYR 683 Ca 0.00 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 2iiv h TYR 683 Cb 0.84 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2iiv h TYR 683 CO 0.00 0.56 -0.34 0.00 -1.05 0.00 0.00 178.16 177.34 2iiv h ARG 684 N 1.00 0.00 -0.00 4.88 2.47 -0.63 -3.21 114.38 118.87 2iiv h ARG 684 Ca 0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2iiv h ARG 684 Cb -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2iiv h ARG 684 CO -0.09 0.34 -0.29 0.09 0.56 0.00 0.00 179.97 180.58 2iiv n ASN 685 N -3.26 0.65 -1.40 7.04 3.02 -0.38 -4.19 115.26 116.73 2iiv n ASN 685 Ca 0.02 -0.49 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 2iiv n ASN 685 Cb 0.61 0.08 0.20 0.00 -0.61 0.00 0.00 39.78 40.06 2iiv n ASN 685 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2iiv n SER 686 N -1.08 2.74 -4.93 6.41 3.41 -0.76 -5.01 113.62 114.41 2iiv n SER 686 Ca 0.10 -3.75 -0.26 0.00 -0.26 0.00 0.00 58.87 54.70 2iiv n SER 686 Cb 0.33 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 2iiv n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2iiv s THR 687 N -3.26 5.07 0.02 6.66 -4.23 -1.26 -4.75 115.64 113.88 2iiv s THR 687 Ca 0.47 -0.25 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 2iiv s THR 687 Cb 0.42 -3.81 -0.19 0.00 1.34 0.00 0.00 72.50 70.26 2iiv s THR 687 CO 0.02 -0.48 1.19 0.58 -0.54 0.00 0.00 174.62 175.39 2iiv h VAL 688 N 0.94 1.41 -0.88 2.29 2.07 -1.20 -3.32 116.25 117.56 2iiv h VAL 688 Ca -0.49 -1.77 0.22 0.00 0.82 0.00 0.00 66.70 65.49 2iiv h VAL 688 Cb 1.21 2.30 -0.13 0.00 -1.52 0.00 0.00 31.29 33.15 2iiv h VAL 688 CO 0.63 0.51 0.34 0.24 0.02 0.00 0.00 177.57 179.32 2iiv h MET 689 N -0.08 0.33 0.00 1.57 2.86 -1.91 0.94 114.93 118.64 2iiv h MET 689 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2iiv h MET 689 Cb 1.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2iiv h MET 689 CO 0.08 0.22 0.00 0.66 1.06 0.00 0.00 176.91 178.93 2iiv h SER 690 N 0.34 0.00 -0.54 1.22 4.64 -1.94 -1.81 113.55 115.46 2iiv h SER 690 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2iiv h SER 690 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2iiv h SER 690 CO -0.56 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.94 2iiv n ARG 691 N -2.80 2.60 -0.37 4.77 1.74 0.32 -4.68 116.66 118.24 2iiv n ARG 691 Ca -0.02 -2.45 0.03 0.00 -0.77 0.00 0.00 57.85 54.64 2iiv n ARG 691 Cb 0.09 -1.53 0.10 0.00 -1.02 0.00 0.00 32.46 30.10 2iiv n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2iiv h ALA 692 N 4.36 0.45 -0.97 7.54 0.00 -1.33 -0.51 119.26 128.80 2iiv h ALA 692 Ca 0.00 0.34 0.22 0.00 0.00 0.00 0.00 54.91 55.47 2iiv h ALA 692 Cb 0.99 0.87 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 2iiv h ALA 692 CO 0.00 -0.48 0.56 1.49 0.00 0.00 0.00 179.25 180.82 2iiv h GLU 693 N -0.00 0.60 0.00 0.00 4.57 -1.85 -1.00 114.58 116.90 2iiv h GLU 693 Ca 0.43 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 2iiv h GLU 693 Cb 0.68 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2iiv h GLU 693 CO -1.01 0.40 0.00 0.09 -1.18 0.00 0.00 179.01 177.30 2iiv n ASN 694 N -4.87 0.00 0.03 1.04 3.02 -0.20 -2.60 115.26 111.68 2iiv n ASN 694 Ca 0.24 -0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.72 2iiv n ASN 694 Cb 0.65 -0.16 0.44 0.00 -0.61 0.00 0.00 39.78 40.11 2iiv n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2iiv n PHE 695 N -1.16 0.26 0.21 3.10 3.72 -0.38 -3.82 117.46 119.40 2iiv n PHE 695 Ca 0.10 0.08 0.14 0.00 -0.05 0.00 0.00 57.45 57.72 2iiv n PHE 695 Cb 0.10 -0.56 0.76 0.00 -0.94 0.00 0.00 39.48 38.84 2iiv n PHE 695 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2iiv h LYS 696 N 0.00 0.00 -0.03 -1.08 1.57 -1.68 -1.86 116.57 113.49 2iiv h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2iiv h LYS 696 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2iiv h LYS 696 CO 0.00 0.00 -0.02 1.04 -0.57 0.00 0.00 179.45 179.90 2iiv n GLN 697 N -2.48 2.17 -4.27 3.15 1.13 -1.25 -4.98 117.38 110.85 2iiv n GLN 697 Ca -0.02 -1.73 -0.15 0.00 -1.94 0.00 0.00 57.00 53.16 2iiv n GLN 697 Cb 0.04 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 28.83 2iiv n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2iiv s VAL 698 N -2.03 0.93 -0.23 5.09 -7.23 -0.70 -4.94 120.40 111.29 2iiv s VAL 698 Ca 0.29 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 2iiv s VAL 698 Cb 0.20 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2iiv s VAL 698 CO 0.32 -0.53 0.23 -1.61 -0.31 0.00 0.00 175.10 173.20 2iiv s GLU 699 N -3.85 4.08 -0.05 4.82 2.02 -0.70 -4.99 118.70 120.05 2iiv s GLU 699 Ca 0.23 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.11 2iiv s GLU 699 Cb 0.05 -3.55 -0.00 0.00 0.10 0.00 0.00 34.13 30.72 2iiv s GLU 699 CO 0.04 0.01 -0.19 -0.47 0.02 0.00 0.00 175.26 174.66 2iiv s TYR 700 N 1.21 1.91 -0.19 1.61 5.04 -1.26 -0.86 117.35 124.80 2iiv s TYR 700 Ca 0.10 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 54.18 2iiv s TYR 700 Cb -0.14 -1.27 0.02 0.00 0.35 0.00 0.00 41.96 40.92 2iiv s TYR 700 CO 0.06 -0.18 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.74 2iiv s LEU 701 N -0.00 2.30 -0.19 6.97 2.96 -0.59 -0.24 118.68 129.89 2iiv s LEU 701 Ca -0.04 -0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 2iiv s LEU 701 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2iiv s LEU 701 CO 0.03 -0.02 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.78 2iiv s LEU 702 N 1.30 3.02 0.01 -0.68 2.96 0.57 -1.50 118.68 124.36 2iiv s LEU 702 Ca 0.04 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2iiv s LEU 702 Cb -0.14 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 2iiv s LEU 702 CO -0.11 0.07 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.19 2iiv s ILE 703 N 0.95 1.34 -0.28 6.68 1.01 -0.46 -1.43 121.20 129.00 2iiv s ILE 703 Ca -0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.51 2iiv s ILE 703 Cb -0.15 -1.15 0.09 0.00 0.01 0.00 0.00 42.46 41.27 2iiv s ILE 703 CO 0.01 0.24 0.86 -2.28 0.00 0.00 0.00 174.94 173.77 2iiv s HIS 704 N -0.60 -0.66 0.18 3.97 2.46 -0.90 -0.49 115.29 119.26 2iiv s HIS 704 Ca 0.05 1.59 -0.28 0.00 0.47 0.00 0.00 55.06 56.89 2iiv s HIS 704 Cb -0.07 0.32 -0.08 0.00 -0.13 0.00 0.00 32.58 32.62 2iiv s HIS 704 CO 0.00 -0.32 0.87 0.20 -2.47 0.00 0.00 174.74 173.03 2iiv s GLY 705 N 0.37 3.01 0.50 1.59 0.00 -1.26 -1.24 107.32 110.29 2iiv s GLY 705 Ca 0.01 0.49 0.29 0.00 0.00 0.00 0.00 44.72 45.51 2iiv s GLY 705 CO -0.03 1.09 1.90 -0.91 0.00 0.00 0.00 173.10 175.15 2iiv h THR 706 N 3.39 0.22 -0.84 0.90 1.35 -1.07 -3.09 112.91 113.78 2iiv h THR 706 Ca -0.45 -0.78 -0.48 0.00 -0.55 0.00 0.00 66.41 64.15 2iiv h THR 706 Cb 1.20 1.64 -0.27 0.00 -1.73 0.00 0.00 68.15 69.00 2iiv h THR 706 CO 0.68 0.09 0.46 0.00 -0.25 0.00 0.00 175.52 176.50 2iiv n ALA 707 N -2.15 5.44 -2.41 6.62 0.00 -0.52 -4.73 120.51 122.77 2iiv n ALA 707 Ca 0.01 -3.12 -0.43 0.00 0.00 0.00 0.00 53.44 49.90 2iiv n ALA 707 Cb 0.37 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2iiv n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2iiv s ASP 708 N -1.81 6.55 0.03 0.00 -1.08 -1.17 -4.19 116.67 115.00 2iiv s ASP 708 Ca 0.55 1.02 0.25 0.00 -0.52 0.00 0.00 52.55 53.86 2iiv s ASP 708 Cb 0.47 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.93 2iiv s ASP 708 CO 0.06 -1.22 1.45 -0.90 0.52 0.00 0.00 175.17 175.07 2iiv n ASP 709 N 8.08 0.50 0.00 -0.34 5.75 -1.26 -3.97 116.55 125.31 2iiv n ASP 709 Ca 0.15 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 2iiv n ASP 709 Cb 0.47 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2iiv n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2iiv n ASN 710 N -1.67 0.00 -4.28 -1.12 2.85 -1.26 -4.75 115.26 105.02 2iiv n ASN 710 Ca 0.05 0.18 -0.45 0.00 -0.11 0.00 0.00 54.58 54.25 2iiv n ASN 710 Cb 0.37 -0.50 -0.06 0.00 1.24 0.00 0.00 39.78 40.83 2iiv n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2iiv s VAL 711 N -0.99 4.93 0.47 3.44 1.01 -1.26 -4.80 120.40 123.20 2iiv s VAL 711 Ca 0.00 -1.59 -0.24 0.00 0.00 0.00 0.00 61.98 60.15 2iiv s VAL 711 Cb 0.00 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2iiv s VAL 711 CO 0.00 -0.85 1.30 1.41 0.00 0.00 0.00 175.10 176.97 2iiv n HIS 712 N 5.15 2.19 -0.26 5.22 8.25 -1.25 -4.69 115.22 129.82 2iiv n HIS 712 Ca -0.12 0.47 0.23 0.00 -0.26 0.00 0.00 57.72 58.04 2iiv n HIS 712 Cb 0.40 -2.37 0.56 0.00 1.12 0.00 0.00 29.99 29.70 2iiv n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2iiv h PHE 713 N 1.86 0.44 -0.93 4.41 3.57 -1.80 0.06 116.94 124.56 2iiv h PHE 713 Ca -0.49 0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.27 2iiv h PHE 713 Cb 1.30 -0.13 -0.17 0.00 2.79 0.00 0.00 35.95 39.73 2iiv h PHE 713 CO 0.47 0.08 -0.01 0.94 -2.23 0.00 0.00 178.31 177.56 2iiv n GLN 714 N -4.48 -0.07 -0.24 1.11 7.27 -1.26 -0.59 117.38 119.12 2iiv n GLN 714 Ca 0.21 1.40 -0.00 0.00 0.07 0.00 0.00 57.00 58.68 2iiv n GLN 714 Cb 0.84 -2.20 0.12 0.00 2.41 0.00 0.00 30.24 31.40 2iiv n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2iiv h GLN 715 N 0.00 0.61 0.03 3.69 4.20 -1.29 -0.20 115.11 122.15 2iiv h GLN 715 Ca 0.55 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 59.01 2iiv h GLN 715 Cb 1.11 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 2iiv h GLN 715 CO -0.88 0.41 -1.00 0.77 -0.67 0.00 0.00 178.83 177.45 2iiv h SER 716 N 0.63 0.13 -0.44 1.46 0.02 -1.01 -2.95 113.55 111.39 2iiv h SER 716 Ca 0.32 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2iiv h SER 716 Cb 0.28 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2iiv h SER 716 CO -0.23 1.05 0.26 0.00 -1.14 0.00 0.00 176.83 176.77 2iiv h ALA 717 N 0.94 1.59 0.02 3.77 0.00 -0.11 -0.66 119.26 124.80 2iiv h ALA 717 Ca -0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 2iiv h ALA 717 Cb 1.72 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2iiv h ALA 717 CO 0.14 0.35 -0.92 1.96 0.00 0.00 0.00 179.25 180.78 2iiv h GLN 718 N 0.63 0.10 0.21 0.00 1.08 -1.05 -2.60 115.11 113.48 2iiv h GLN 718 Ca 0.17 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2iiv h GLN 718 Cb 0.01 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2iiv h GLN 718 CO -0.03 0.95 -0.10 0.82 -0.95 0.00 0.00 178.83 179.52 2iiv h ILE 719 N 0.05 0.87 -0.87 2.54 2.04 -1.22 -1.93 117.51 118.99 2iiv h ILE 719 Ca -0.04 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2iiv h ILE 719 Cb 1.59 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 2iiv h ILE 719 CO 0.13 0.10 0.57 0.77 0.00 0.00 0.00 178.15 179.72 2iiv h SER 720 N -0.50 0.94 -0.85 1.72 4.64 -1.20 -1.38 113.55 116.93 2iiv h SER 720 Ca -0.03 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2iiv h SER 720 Cb 0.38 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 2iiv h SER 720 CO 0.05 0.65 0.44 0.50 -0.87 0.00 0.00 176.83 177.60 2iiv h LYS 721 N 1.10 1.21 -0.49 4.77 3.64 -1.39 0.34 116.57 125.74 2iiv h LYS 721 Ca 0.35 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2iiv h LYS 721 Cb -0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2iiv h LYS 721 CO -0.11 0.90 -0.08 0.00 -2.27 0.00 0.00 179.45 177.89 2iiv h ALA 722 N 1.27 0.93 -0.34 5.00 0.00 -0.60 -0.25 119.26 125.27 2iiv h ALA 722 Ca 0.30 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2iiv h ALA 722 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2iiv h ALA 722 CO -0.04 0.63 -0.15 -0.07 0.00 0.00 0.00 179.25 179.61 2iiv h LEU 723 N 0.80 0.73 -0.64 0.00 3.38 -0.68 -2.63 115.31 116.27 2iiv h LEU 723 Ca 0.14 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2iiv h LEU 723 Cb 0.59 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2iiv h LEU 723 CO 0.04 0.96 0.38 0.58 0.09 0.00 0.00 178.44 180.50 2iiv h VAL 724 N 0.49 1.19 -0.08 1.22 2.07 -0.81 -1.54 116.25 118.79 2iiv h VAL 724 Ca 0.08 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2iiv h VAL 724 Cb 0.68 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2iiv h VAL 724 CO 0.05 0.20 0.06 0.44 0.02 0.00 0.00 177.57 178.34 2iiv h ASP 725 N 0.87 0.00 -0.63 0.57 3.32 -0.77 -1.49 116.42 118.28 2iiv h ASP 725 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2iiv h ASP 725 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2iiv h ASP 725 CO -0.04 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.81 2iiv n VAL 726 N -4.36 1.20 -2.84 -1.35 0.24 -1.01 -4.98 118.33 105.23 2iiv n VAL 726 Ca -0.01 -1.06 -0.14 0.00 -2.04 0.00 0.00 64.34 61.09 2iiv n VAL 726 Cb 0.17 0.41 0.03 0.00 -1.47 0.00 0.00 33.84 32.97 2iiv n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2iiv n GLY 727 N 1.28 -0.02 3.58 7.63 0.00 -0.56 -4.98 105.19 112.11 2iiv n GLY 727 Ca 0.22 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2iiv n GLY 727 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iiv s VAL 728 N -3.00 4.48 0.36 1.61 0.11 -0.62 -5.04 120.40 118.30 2iiv s VAL 728 Ca 0.23 -0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 58.94 2iiv s VAL 728 Cb -0.10 -3.01 -0.10 0.00 -1.53 0.00 0.00 36.38 31.64 2iiv s VAL 728 CO 0.29 0.46 0.87 -0.62 -3.33 0.00 0.00 175.10 172.76 2iiv s ASP 729 N 0.49 6.98 0.26 3.54 2.15 -1.26 -4.44 116.67 124.39 2iiv s ASP 729 Ca 0.01 1.58 -0.22 0.00 0.43 0.00 0.00 52.55 54.35 2iiv s ASP 729 Cb -0.13 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 40.03 2iiv s ASP 729 CO 0.01 -0.22 0.75 0.72 -0.17 0.00 0.00 175.17 176.26 2iiv s PHE 730 N -1.95 -0.19 -0.03 -5.34 -0.12 -1.26 -4.78 117.98 104.31 2iiv s PHE 730 Ca 0.56 -0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 57.16 2iiv s PHE 730 Cb -0.12 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 2iiv s PHE 730 CO 0.17 -1.17 0.14 -0.65 -0.05 0.00 0.00 175.22 173.65 2iiv s GLN 731 N -3.83 3.31 0.06 1.99 -1.52 0.67 -5.03 119.66 115.30 2iiv s GLN 731 Ca 0.11 -0.34 -0.04 0.00 -1.95 0.00 0.00 55.36 53.14 2iiv s GLN 731 Cb -0.05 -3.03 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 2iiv s GLN 731 CO 0.06 0.69 0.04 0.00 -0.25 0.00 0.00 175.29 175.83 2iiv s ALA 732 N -1.21 0.22 -0.26 6.09 0.00 -1.26 -0.32 121.76 125.01 2iiv s ALA 732 Ca 0.23 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2iiv s ALA 732 Cb -0.12 0.31 0.11 0.00 0.00 0.00 0.00 23.12 23.42 2iiv s ALA 732 CO 0.14 -0.38 0.59 1.41 0.00 0.00 0.00 175.76 177.52 2iiv s MET 733 N -3.56 0.54 0.12 0.00 1.75 -0.52 -4.92 119.30 112.72 2iiv s MET 733 Ca 0.03 1.27 0.03 0.00 -1.25 0.00 0.00 55.69 55.78 2iiv s MET 733 Cb 0.05 0.54 -0.04 0.00 2.84 0.00 0.00 34.83 38.22 2iiv s MET 733 CO -0.09 -0.20 0.18 1.67 -0.65 0.00 0.00 175.02 175.93 2iiv s TRP 734 N 2.46 3.32 -0.27 4.11 -2.14 -1.26 -2.11 118.94 123.05 2iiv s TRP 734 Ca -0.06 0.09 0.03 0.00 2.66 0.00 0.00 56.10 58.81 2iiv s TRP 734 Cb -0.10 -1.62 0.06 0.00 -3.10 0.00 0.00 33.47 28.71 2iiv s TRP 734 CO -0.17 0.53 -0.10 0.71 -2.66 0.00 0.00 176.95 175.26 2iiv s TYR 735 N -1.63 3.29 0.08 1.66 1.51 -0.37 -4.92 117.35 116.96 2iiv s TYR 735 Ca 0.32 -2.32 -0.32 0.00 -1.01 0.00 0.00 57.07 53.75 2iiv s TYR 735 Cb -0.11 -1.98 -0.11 0.00 -0.11 0.00 0.00 41.96 39.65 2iiv s TYR 735 CO 0.25 -0.88 1.84 2.41 -1.11 0.00 0.00 175.55 178.07 2iiv n THR 736 N 4.44 0.43 -1.07 -0.71 -1.04 -1.26 -0.96 114.28 114.12 2iiv n THR 736 Ca -0.13 -0.08 -0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2iiv n THR 736 Cb 0.42 -2.06 -0.01 0.00 -1.82 0.00 0.00 70.33 66.86 2iiv n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2iiv n ASP 737 N 5.91 -5.25 -4.86 8.00 8.00 -1.26 -4.88 116.55 122.20 2iiv n ASP 737 Ca 0.19 0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.42 2iiv n ASP 737 Cb 0.36 -2.95 -0.06 0.00 -0.02 0.00 0.00 41.12 38.45 2iiv n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2iiv s GLU 738 N -1.79 3.86 0.00 -1.24 0.41 -1.07 -4.62 118.70 114.25 2iiv s GLU 738 Ca 0.00 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 2iiv s GLU 738 Cb 0.00 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 2iiv s GLU 738 CO 0.00 0.36 0.00 -0.40 -0.49 0.00 0.00 175.26 174.73 2iiv n ASP 739 N 0.14 0.00 0.30 -0.19 5.68 -1.26 -1.44 116.55 119.78 2iiv n ASP 739 Ca -0.01 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.44 2iiv n ASP 739 Cb 0.52 0.00 0.97 0.00 -1.14 0.00 0.00 41.12 41.47 2iiv n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2iiv h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.91 -2.38 115.15 112.97 2iiv h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2iiv h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2iiv h HIS 740 CO 0.00 0.01 -0.73 0.78 -0.00 0.00 0.00 177.93 177.99 2iiv h GLY 741 N 0.08 0.00 -7.06 5.26 0.00 -1.99 -3.48 103.07 95.89 2iiv h GLY 741 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2iiv h GLY 741 CO 0.00 0.00 -0.94 1.39 0.00 0.00 0.00 176.54 176.99 2iiv n ILE 742 N -2.50 -0.89 0.89 2.60 5.41 -0.90 -4.83 119.36 119.14 2iiv n ILE 742 Ca 0.02 -0.34 0.11 0.00 1.00 0.00 0.00 62.75 63.53 2iiv n ILE 742 Cb 0.50 -1.02 -0.02 0.00 -0.71 0.00 0.00 39.64 38.39 2iiv n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2iiv n ALA 743 N -4.42 4.21 -1.60 -1.39 0.00 -1.26 -3.56 120.51 112.49 2iiv n ALA 743 Ca -0.19 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.35 2iiv n ALA 743 Cb 0.62 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.24 2iiv n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2iiv n SER 744 N -1.60 0.76 -0.17 0.00 3.41 -1.26 -4.65 113.62 110.11 2iiv n SER 744 Ca 0.04 0.87 -0.01 0.00 -0.26 0.00 0.00 58.87 59.51 2iiv n SER 744 Cb 0.36 -1.36 0.08 0.00 -0.26 0.00 0.00 64.21 63.03 2iiv n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2iiv h SER 745 N 0.82 -0.13 -0.23 4.04 0.87 -1.99 0.49 113.55 117.42 2iiv h SER 745 Ca -0.47 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 2iiv h SER 745 Cb 1.36 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2iiv h SER 745 CO 0.52 -0.04 -0.20 0.71 -0.53 0.00 0.00 176.83 177.30 2iiv h THR 746 N 0.17 1.32 -0.76 2.23 1.35 -1.98 -2.33 112.91 112.92 2iiv h THR 746 Ca 0.28 -1.34 -0.04 0.00 -0.55 0.00 0.00 66.41 64.75 2iiv h THR 746 Cb 0.42 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 2iiv h THR 746 CO -0.41 0.41 0.30 0.00 -0.25 0.00 0.00 175.52 175.57 2iiv h ALA 747 N 0.67 0.99 -0.26 6.62 0.00 -1.82 -0.53 119.26 124.93 2iiv h ALA 747 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2iiv h ALA 747 Cb 0.74 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2iiv h ALA 747 CO 0.05 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.29 2iiv h HIS 748 N 1.10 0.24 -0.48 0.00 2.76 -0.87 0.15 115.15 118.05 2iiv h HIS 748 Ca 0.25 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.35 2iiv h HIS 748 Cb 0.22 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 2iiv h HIS 748 CO 0.02 0.13 -0.06 1.96 -1.30 0.00 0.00 177.93 178.68 2iiv h GLN 749 N 0.27 0.83 -0.35 5.26 4.20 -1.20 -2.87 115.11 121.26 2iiv h GLN 749 Ca 0.11 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 2iiv h GLN 749 Cb 0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2iiv h GLN 749 CO -0.07 0.87 -0.23 1.25 -0.67 0.00 0.00 178.83 179.98 2iiv h HIS 750 N 0.76 0.91 -0.38 2.96 2.76 -0.48 -1.65 115.15 120.03 2iiv h HIS 750 Ca 0.14 -0.24 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 2iiv h HIS 750 Cb 0.55 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2iiv h HIS 750 CO 0.03 1.00 0.01 0.97 -1.30 0.00 0.00 177.93 178.64 2iiv h ILE 751 N 0.56 1.26 0.00 6.26 2.10 -0.71 -0.95 117.51 126.03 2iiv h ILE 751 Ca 0.07 -0.97 -0.10 0.00 1.08 0.00 0.00 64.86 64.95 2iiv h ILE 751 Cb 0.79 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 2iiv h ILE 751 CO 0.06 0.32 -0.46 1.88 -1.08 0.00 0.00 178.15 178.88 2iiv h TYR 752 N 0.48 0.00 -0.18 2.19 0.05 -1.52 -0.31 116.97 117.70 2iiv h TYR 752 Ca 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 2iiv h TYR 752 Cb 0.45 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 2iiv h TYR 752 CO 0.03 0.46 -0.06 1.15 -1.05 0.00 0.00 178.16 178.69 2iiv h THR 753 N 0.00 1.30 -0.70 -2.88 2.02 -1.10 -1.75 112.91 109.81 2iiv h THR 753 Ca -0.00 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 2iiv h THR 753 Cb 0.83 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 2iiv h THR 753 CO 0.06 0.32 0.32 -0.74 0.37 0.00 0.00 175.52 175.85 2iiv h HIS 754 N 0.05 1.01 -0.31 3.16 -0.00 -0.84 -2.02 115.15 116.21 2iiv h HIS 754 Ca 0.04 -0.05 -0.11 0.00 -0.00 0.00 0.00 60.37 60.25 2iiv h HIS 754 Cb 0.52 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2iiv h HIS 754 CO 0.06 0.76 -0.25 0.52 -0.00 0.00 0.00 177.93 179.02 2iiv h MET 755 N 0.97 0.61 -0.34 5.26 2.07 -1.06 -2.27 114.93 120.17 2iiv h MET 755 Ca 0.24 -0.24 -0.02 0.00 -2.07 0.00 0.00 59.70 57.61 2iiv h MET 755 Cb 0.14 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 2iiv h MET 755 CO -0.03 0.80 0.14 0.77 1.07 0.00 0.00 176.91 179.67 2iiv h SER 756 N 0.53 0.46 -0.56 1.22 0.02 -0.86 -0.36 113.55 114.01 2iiv h SER 756 Ca 0.07 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2iiv h SER 756 Cb 0.71 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 2iiv h SER 756 CO 0.05 0.49 0.33 0.45 -1.14 0.00 0.00 176.83 177.01 2iiv h HIS 757 N 0.40 0.61 0.02 3.45 3.86 -1.26 -0.88 115.15 121.35 2iiv h HIS 757 Ca 0.11 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2iiv h HIS 757 Cb 0.17 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2iiv h HIS 757 CO -0.01 0.34 -0.01 0.35 0.86 0.00 0.00 177.93 179.46 2iiv h PHE 758 N 0.65 -0.02 -0.09 2.45 3.57 -1.00 -0.77 116.94 121.72 2iiv h PHE 758 Ca 0.23 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2iiv h PHE 758 Cb 0.05 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2iiv h PHE 758 CO -0.07 -0.00 0.04 0.82 -2.23 0.00 0.00 178.31 176.88 2iiv h ILE 759 N -0.04 1.11 -0.43 1.41 1.08 -0.92 -0.22 117.51 119.50 2iiv h ILE 759 Ca -0.00 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2iiv h ILE 759 Cb 0.03 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 2iiv h ILE 759 CO 0.00 0.10 0.24 0.11 -0.69 0.00 0.00 178.15 177.91 2iiv h LYS 760 N 0.03 0.46 -0.31 2.37 1.57 -1.10 0.12 116.57 119.71 2iiv h LYS 760 Ca 0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2iiv h LYS 760 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2iiv h LYS 760 CO -0.00 0.31 0.17 0.37 -0.57 0.00 0.00 179.45 179.72 2iiv h GLN 761 N 0.48 0.34 -0.78 3.15 4.15 -1.02 0.59 115.11 122.01 2iiv h GLN 761 Ca 0.18 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.67 2iiv h GLN 761 Cb 0.05 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 2iiv h GLN 761 CO -0.10 0.22 0.51 0.00 -1.93 0.00 0.00 178.83 177.53 2iiv n PHE 763 N -4.50 0.44 -3.12 0.00 3.72 -0.03 -4.95 117.46 109.02 2iiv n PHE 763 Ca 0.13 -0.22 -0.23 0.00 -0.05 0.00 0.00 57.45 57.08 2iiv n PHE 763 Cb 0.32 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.90 2iiv n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2iiv n SER 764 N 0.94 -6.11 -4.70 4.37 7.64 0.01 -4.98 113.62 110.80 2iiv n SER 764 Ca 0.18 -0.33 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 2iiv n SER 764 Cb 0.46 -4.92 -0.08 0.00 -1.01 0.00 0.00 64.21 58.67 2iiv n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2iiv s LEU 765 N -6.79 4.19 0.00 -3.43 1.43 -0.13 -5.03 118.68 108.93 2iiv s LEU 765 Ca 0.35 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2iiv s LEU 765 Cb -0.16 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.80 2iiv s LEU 765 CO 0.43 0.08 0.39 -2.65 0.23 0.00 0.00 176.35 174.83