#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bgr n SER 39 N 0.00 0.19 -4.75 1.67 3.41 -1.26 -4.90 113.62 107.98 2bgr n SER 39 Ca 0.00 -0.07 -0.37 0.00 -0.26 0.00 0.00 58.87 58.17 2bgr n SER 39 Cb 0.00 -0.23 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 2bgr n SER 39 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bgr s ARG 40 N -2.73 3.15 0.82 4.33 0.52 -1.26 -5.01 118.95 118.76 2bgr s ARG 40 Ca 0.22 2.02 -0.11 0.00 -0.52 0.00 0.00 55.73 57.34 2bgr s ARG 40 Cb 0.19 -2.15 0.08 0.00 0.52 0.00 0.00 34.95 33.59 2bgr s ARG 40 CO 0.51 -1.12 1.09 -1.59 0.02 0.00 0.00 175.30 174.22 2bgr s LYS 41 N -3.03 1.90 0.48 3.54 -2.85 -1.25 -4.68 119.74 113.85 2bgr s LYS 41 Ca 0.73 1.02 0.08 0.00 -1.00 0.00 0.00 55.97 56.80 2bgr s LYS 41 Cb -0.35 -1.87 0.03 0.00 -2.06 0.00 0.00 37.83 33.58 2bgr s LYS 41 CO 0.41 -1.85 0.61 0.95 0.10 0.00 0.00 175.35 175.57 2bgr s THR 42 N -2.93 2.61 -0.44 3.79 -4.23 -1.26 -0.66 115.64 112.52 2bgr s THR 42 Ca 0.62 -1.07 -0.25 0.00 -1.18 0.00 0.00 61.69 59.81 2bgr s THR 42 Cb -0.17 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.01 2bgr s THR 42 CO 0.56 0.00 0.92 -0.47 -0.54 0.00 0.00 174.62 175.09 2bgr s TYR 43 N -2.49 2.95 0.47 3.99 5.04 -1.26 -4.83 117.35 121.22 2bgr s TYR 43 Ca 0.55 0.45 0.06 0.00 -2.44 0.00 0.00 57.07 55.69 2bgr s TYR 43 Cb -0.07 -3.91 0.02 0.00 0.35 0.00 0.00 41.96 38.35 2bgr s TYR 43 CO 0.34 -1.05 0.65 0.95 -1.34 0.00 0.00 175.55 175.10 2bgr s THR 44 N 3.70 2.85 0.24 4.34 -4.23 -1.26 -3.90 115.64 117.38 2bgr s THR 44 Ca 0.37 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 2bgr s THR 44 Cb -0.10 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.97 2bgr s THR 44 CO 0.25 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.44 2bgr h LEU 45 N 0.42 1.08 -0.79 4.79 5.85 -1.95 -2.50 115.31 122.21 2bgr h LEU 45 Ca -0.40 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 2bgr h LEU 45 Cb 1.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2bgr h LEU 45 CO 0.47 0.88 0.11 0.74 -0.34 0.00 0.00 178.44 180.30 2bgr h THR 46 N 1.21 1.26 -0.37 1.05 2.02 -1.98 -0.78 112.91 115.32 2bgr h THR 46 Ca 0.30 -0.99 0.07 0.00 0.77 0.00 0.00 66.41 66.56 2bgr h THR 46 Cb 0.04 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 2bgr h THR 46 CO -0.05 0.37 -0.02 0.44 0.37 0.00 0.00 175.52 176.64 2bgr h ASP 47 N 0.96 -0.19 -0.03 4.18 3.32 -1.88 0.64 116.42 123.42 2bgr h ASP 47 Ca 0.19 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2bgr h ASP 47 Cb 0.41 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2bgr h ASP 47 CO 0.01 -0.06 -0.02 0.22 -1.72 0.00 0.00 179.24 177.68 2bgr h TYR 48 N 0.08 -0.04 -0.00 4.55 3.20 -1.04 -1.66 116.97 122.06 2bgr h TYR 48 Ca 0.18 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.87 2bgr h TYR 48 Cb 0.26 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2bgr h TYR 48 CO -0.27 -0.03 -0.84 -0.07 -1.64 0.00 0.00 178.16 175.31 2bgr h LEU 49 N -0.02 0.19 -1.97 2.82 3.38 -0.65 -3.16 115.31 115.90 2bgr h LEU 49 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2bgr h LEU 49 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2bgr h LEU 49 CO -0.04 0.94 0.00 0.29 0.09 0.00 0.00 178.44 179.72 2bgr n LYS 50 N -3.65 2.29 -3.82 1.13 4.76 0.22 -4.98 118.16 114.12 2bgr n LYS 50 Ca -0.03 -1.95 -0.25 0.00 -2.87 0.00 0.00 58.31 53.22 2bgr n LYS 50 Cb 0.79 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.52 2bgr n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bgr n ASN 51 N 1.18 -1.96 0.20 4.39 3.02 -0.66 -4.86 115.26 116.57 2bgr n ASN 51 Ca 0.18 -0.85 0.06 0.00 -0.03 0.00 0.00 54.58 53.94 2bgr n ASN 51 Cb 0.53 -3.79 0.44 0.00 -0.61 0.00 0.00 39.78 36.36 2bgr n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2bgr h THR 52 N -1.91 1.01 -3.62 3.41 1.35 -1.74 -3.38 112.91 108.03 2bgr h THR 52 Ca -0.61 -1.15 -0.69 0.00 -0.55 0.00 0.00 66.41 63.41 2bgr h THR 52 Cb 1.37 1.66 -0.33 0.00 -1.73 0.00 0.00 68.15 69.11 2bgr h THR 52 CO 0.61 0.31 -0.62 -0.31 -0.25 0.00 0.00 175.52 175.26 2bgr s TYR 53 N -4.06 3.44 -0.18 4.73 2.02 -1.26 -5.09 117.35 116.95 2bgr s TYR 53 Ca -0.02 -2.12 -0.06 0.00 -0.37 0.00 0.00 57.07 54.50 2bgr s TYR 53 Cb 0.13 -2.70 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 2bgr s TYR 53 CO 0.68 -0.88 0.02 0.50 -1.57 0.00 0.00 175.55 174.30 2bgr s ARG 54 N 1.20 3.79 0.16 -0.62 3.52 -1.26 -5.06 118.95 120.69 2bgr s ARG 54 Ca 0.02 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 54.88 2bgr s ARG 54 Cb -0.21 -3.12 -0.09 0.00 -1.56 0.00 0.00 34.95 29.97 2bgr s ARG 54 CO -0.02 0.17 1.38 -0.51 -0.81 0.00 0.00 175.30 175.51 2bgr s LEU 55 N 0.61 4.39 0.13 -0.88 1.43 -1.26 -4.84 118.68 118.26 2bgr s LEU 55 Ca 0.01 2.42 -0.19 0.00 -1.03 0.00 0.00 54.13 55.34 2bgr s LEU 55 Cb -0.14 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 2bgr s LEU 55 CO 0.02 -0.63 0.61 -0.54 0.23 0.00 0.00 176.35 176.04 2bgr s LYS 56 N 0.51 4.18 0.52 1.70 1.02 -1.26 -5.10 119.74 121.32 2bgr s LYS 56 Ca 0.62 0.73 0.03 0.00 0.02 0.00 0.00 55.97 57.37 2bgr s LYS 56 Cb -0.38 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2bgr s LYS 56 CO 0.35 0.54 0.18 -0.51 -0.92 0.00 0.00 175.35 174.99 2bgr s LEU 57 N -1.52 2.50 -0.41 3.17 1.43 -1.26 -4.89 118.68 117.69 2bgr s LEU 57 Ca 0.35 -1.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 2bgr s LEU 57 Cb -0.18 -0.95 0.17 0.00 0.03 0.00 0.00 46.19 45.25 2bgr s LEU 57 CO 0.20 -0.95 0.44 -0.47 0.23 0.00 0.00 176.35 175.80 2bgr s TYR 58 N -2.82 -0.20 -0.44 0.29 6.14 -1.26 -4.95 117.35 114.11 2bgr s TYR 58 Ca 0.19 -1.17 -0.22 0.00 0.64 0.00 0.00 57.07 56.52 2bgr s TYR 58 Cb 0.00 -0.39 0.02 0.00 0.42 0.00 0.00 41.96 42.01 2bgr s TYR 58 CO 0.11 -0.99 0.69 -1.12 0.64 0.00 0.00 175.55 174.88 2bgr s SER 59 N 0.96 6.36 0.30 4.32 0.01 -1.26 -5.04 113.70 119.35 2bgr s SER 59 Ca 0.24 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.35 2bgr s SER 59 Cb -0.07 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2bgr s SER 59 CO -0.07 -0.82 0.08 -1.48 0.41 0.00 0.00 173.24 171.35 2bgr s LEU 60 N 2.98 3.26 -0.19 2.44 0.05 -1.26 -4.59 118.68 121.37 2bgr s LEU 60 Ca 0.25 -0.69 -0.00 0.00 0.05 0.00 0.00 54.13 53.74 2bgr s LEU 60 Cb -0.13 -1.75 0.05 0.00 -2.05 0.00 0.00 46.19 42.30 2bgr s LEU 60 CO 0.20 -0.15 -0.05 -0.13 -0.55 0.00 0.00 176.35 175.67 2bgr s ARG 61 N -3.76 1.47 0.18 1.48 0.52 -0.48 -4.96 118.95 113.40 2bgr s ARG 61 Ca 0.34 -0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 54.60 2bgr s ARG 61 Cb -0.04 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 2bgr s ARG 61 CO 0.21 -0.49 1.43 -1.58 0.02 0.00 0.00 175.30 174.90 2bgr s TRP 62 N 1.58 3.14 -0.35 -0.53 0.52 -1.26 -0.23 118.94 121.81 2bgr s TRP 62 Ca -0.01 0.95 0.03 0.00 0.02 0.00 0.00 56.10 57.09 2bgr s TRP 62 Cb -0.16 -3.76 0.02 0.00 -1.15 0.00 0.00 33.47 28.41 2bgr s TRP 62 CO -0.07 -2.61 0.52 0.44 0.02 0.00 0.00 176.95 175.25 2bgr n ILE 63 N 3.25 0.00 -3.11 2.03 -5.35 -0.68 -4.92 119.36 110.58 2bgr n ILE 63 Ca 0.10 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2bgr n ILE 63 Cb 0.41 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 2bgr n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bgr n SER 64 N -0.03 0.00 0.01 7.28 3.41 -1.20 -4.95 113.62 118.14 2bgr n SER 64 Ca 0.02 -0.90 0.13 0.00 -0.26 0.00 0.00 58.87 57.85 2bgr n SER 64 Cb 0.07 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.58 2bgr n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bgr n ASP 65 N -0.72 0.09 0.00 4.04 2.03 -1.26 -2.24 116.55 118.49 2bgr n ASP 65 Ca 0.00 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2bgr n ASP 65 Cb 0.00 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 2bgr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bgr n HIS 66 N -1.58 0.00 -4.25 -0.67 1.44 -1.26 -4.44 115.22 104.45 2bgr n HIS 66 Ca 0.06 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.57 2bgr n HIS 66 Cb 0.32 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.32 2bgr n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2bgr s GLU 67 N -0.01 1.05 0.06 -1.40 2.02 -1.26 -0.92 118.70 118.24 2bgr s GLU 67 Ca 0.00 -1.18 -0.00 0.00 0.02 0.00 0.00 54.97 53.81 2bgr s GLU 67 Cb 0.00 -1.11 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 2bgr s GLU 67 CO 0.00 0.24 -0.04 1.52 0.02 0.00 0.00 175.26 177.00 2bgr s TYR 68 N -1.61 0.59 0.05 1.61 -0.85 -0.84 -1.68 117.35 114.62 2bgr s TYR 68 Ca 0.07 -0.93 -0.00 0.00 -0.52 0.00 0.00 57.07 55.69 2bgr s TYR 68 Cb -0.08 -0.40 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 2bgr s TYR 68 CO 0.04 -0.28 0.19 -0.51 -1.52 0.00 0.00 175.55 173.47 2bgr s LEU 69 N -2.69 4.30 -0.27 -3.49 1.43 0.68 -0.96 118.68 117.69 2bgr s LEU 69 Ca 0.04 0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 2bgr s LEU 69 Cb 0.04 -2.86 0.09 0.00 0.03 0.00 0.00 46.19 43.48 2bgr s LEU 69 CO -0.07 0.18 0.63 -0.47 0.23 0.00 0.00 176.35 176.85 2bgr s TYR 70 N -1.47 -1.05 -0.18 0.29 5.04 -0.93 -1.38 117.35 117.66 2bgr s TYR 70 Ca 0.33 2.04 -0.22 0.00 -2.44 0.00 0.00 57.07 56.79 2bgr s TYR 70 Cb -0.13 0.61 -0.02 0.00 0.35 0.00 0.00 41.96 42.77 2bgr s TYR 70 CO 0.26 -0.53 0.66 0.21 -1.34 0.00 0.00 175.55 174.82 2bgr s LYS 71 N 1.91 4.24 0.00 4.97 2.20 -1.26 -1.61 119.74 130.19 2bgr s LYS 71 Ca -0.09 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2bgr s LYS 71 Cb -0.07 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2bgr s LYS 71 CO -0.19 -0.23 0.00 0.94 -0.36 0.00 0.00 175.35 175.51 2bgr n GLN 72 N 4.99 0.00 -2.85 4.03 7.27 -0.54 -4.79 117.38 125.50 2bgr n GLN 72 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 2bgr n GLN 72 Cb 0.50 -0.22 -0.03 0.00 2.41 0.00 0.00 30.24 32.89 2bgr n GLN 72 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2bgr n GLU 73 N -2.02 3.38 -0.75 3.69 1.02 -1.26 -4.78 120.64 119.92 2bgr n GLU 73 Ca 0.00 -4.79 0.00 0.00 -0.02 0.00 0.00 57.16 52.35 2bgr n GLU 73 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 2bgr n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2bgr n ASN 74 N -0.28 -1.60 -4.87 1.62 3.02 -1.26 -4.82 115.26 107.06 2bgr n ASN 74 Ca 0.33 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.58 2bgr n ASN 74 Cb 0.42 -2.06 -0.03 0.00 -0.61 0.00 0.00 39.78 37.50 2bgr n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2bgr s ASN 75 N -2.19 6.50 -0.26 6.41 -0.87 -1.26 -3.95 114.94 119.32 2bgr s ASN 75 Ca 0.00 1.17 -0.05 0.00 -1.57 0.00 0.00 52.86 52.41 2bgr s ASN 75 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 2bgr s ASN 75 CO 0.00 -0.45 0.02 -0.63 -2.57 0.00 0.00 177.10 173.47 2bgr s ILE 76 N -2.45 3.62 0.11 0.60 1.01 -0.29 -1.47 121.20 122.34 2bgr s ILE 76 Ca 0.52 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.56 2bgr s ILE 76 Cb -0.10 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2bgr s ILE 76 CO 0.33 0.23 0.12 -0.76 0.00 0.00 0.00 174.94 174.86 2bgr s LEU 77 N 1.47 3.88 -0.12 2.97 1.43 -0.63 0.30 118.68 127.98 2bgr s LEU 77 Ca 0.03 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2bgr s LEU 77 Cb -0.16 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 2bgr s LEU 77 CO -0.00 0.13 -0.07 0.54 0.23 0.00 0.00 176.35 177.17 2bgr s VAL 78 N -1.55 3.58 -0.09 -1.59 0.11 0.39 -2.19 120.40 119.08 2bgr s VAL 78 Ca 0.31 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 2bgr s VAL 78 Cb -0.11 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.19 2bgr s VAL 78 CO 0.23 0.53 -0.13 -0.36 -3.33 0.00 0.00 175.10 172.05 2bgr s PHE 79 N 0.02 2.77 -0.20 1.54 0.08 -0.13 -0.95 117.98 121.11 2bgr s PHE 79 Ca -0.01 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.43 2bgr s PHE 79 Cb -0.14 -1.73 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2bgr s PHE 79 CO 0.03 0.03 0.91 1.21 -0.10 0.00 0.00 175.22 177.30 2bgr s ASN 80 N -0.27 6.99 0.27 1.36 3.84 -0.31 -1.99 114.94 124.83 2bgr s ASN 80 Ca 0.02 1.22 0.00 0.00 0.21 0.00 0.00 52.86 54.31 2bgr s ASN 80 Cb -0.13 -2.48 0.38 0.00 -0.55 0.00 0.00 41.25 38.47 2bgr s ASN 80 CO 0.03 -0.51 1.74 0.00 -2.79 0.00 0.00 177.10 175.57 2bgr h ALA 81 N 7.45 1.11 -0.34 1.71 0.00 -1.36 0.15 119.26 127.98 2bgr h ALA 81 Ca -0.25 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2bgr h ALA 81 Cb 1.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2bgr h ALA 81 CO 0.89 0.56 -0.28 1.49 0.00 0.00 0.00 179.25 181.91 2bgr h GLU 82 N 0.59 0.79 0.00 0.00 4.57 -1.94 -3.36 114.58 115.22 2bgr h GLU 82 Ca 0.10 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2bgr h GLU 82 Cb 0.55 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2bgr h GLU 82 CO 0.03 1.02 -1.44 0.66 -1.18 0.00 0.00 179.01 178.11 2bgr n TYR 83 N -4.22 0.00 -0.82 0.92 4.01 -1.22 -5.02 117.16 110.82 2bgr n TYR 83 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2bgr n TYR 83 Cb 0.47 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2bgr n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bgr n GLY 84 N 2.00 0.77 3.77 2.72 0.00 0.52 -5.04 105.19 109.93 2bgr n GLY 84 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2bgr n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bgr s ASN 85 N -2.56 5.32 0.21 1.61 4.22 -1.26 -4.80 114.94 117.68 2bgr s ASN 85 Ca 0.00 2.02 0.01 0.00 -2.14 0.00 0.00 52.86 52.75 2bgr s ASN 85 Cb 0.00 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.93 2bgr s ASN 85 CO 0.00 -1.49 0.06 -0.94 -2.04 0.00 0.00 177.10 172.69 2bgr s SER 86 N -2.42 1.07 0.05 3.54 1.04 -1.26 -1.16 113.70 114.55 2bgr s SER 86 Ca 0.68 -1.29 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 2bgr s SER 86 Cb -0.21 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 2bgr s SER 86 CO 0.38 -0.67 -0.04 -0.44 0.98 0.00 0.00 173.24 173.45 2bgr s SER 87 N -3.23 0.55 -0.06 7.02 0.01 -0.13 -4.97 113.70 112.89 2bgr s SER 87 Ca 0.31 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 2bgr s SER 87 Cb 0.07 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 2bgr s SER 87 CO 0.09 -0.48 1.23 -0.69 0.41 0.00 0.00 173.24 173.79 2bgr s VAL 88 N -3.13 4.20 -0.18 3.43 1.01 -1.26 -0.46 120.40 124.01 2bgr s VAL 88 Ca 0.01 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 63.48 2bgr s VAL 88 Cb 0.02 -3.98 -0.22 0.00 0.00 0.00 0.00 36.38 32.20 2bgr s VAL 88 CO -0.06 -0.02 0.12 0.33 0.00 0.00 0.00 175.10 175.47 2bgr n PHE 89 N 5.40 0.74 -3.70 5.22 -0.00 0.15 -4.85 117.46 120.41 2bgr n PHE 89 Ca 0.12 0.16 -0.14 0.00 -0.00 0.00 0.00 57.45 57.58 2bgr n PHE 89 Cb 0.46 -1.10 -0.14 0.00 -0.00 0.00 0.00 39.48 38.70 2bgr n PHE 89 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2bgr s LEU 90 N -6.82 0.18 0.37 -2.13 1.43 -0.54 -4.98 118.68 106.20 2bgr s LEU 90 Ca -0.27 0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.98 2bgr s LEU 90 Cb 0.08 0.51 -0.10 0.00 0.03 0.00 0.00 46.19 46.71 2bgr s LEU 90 CO 0.70 -0.20 1.35 -0.70 0.23 0.00 0.00 176.35 177.73 2bgr s GLU 91 N 1.80 4.13 0.25 1.70 2.56 -1.26 -1.13 118.70 126.75 2bgr s GLU 91 Ca -0.03 2.27 0.23 0.00 0.00 0.00 0.00 54.97 57.44 2bgr s GLU 91 Cb -0.12 -2.92 0.98 0.00 2.00 0.00 0.00 34.13 34.08 2bgr s GLU 91 CO -0.07 -0.40 1.69 0.27 -0.56 0.00 0.00 175.26 176.19 2bgr n ASN 92 N 0.44 0.63 -0.24 -1.70 6.94 -1.25 -2.19 115.26 117.88 2bgr n ASN 92 Ca 0.02 0.67 0.13 0.00 -0.02 0.00 0.00 54.58 55.38 2bgr n ASN 92 Cb 0.42 -0.80 0.39 0.00 -2.36 0.00 0.00 39.78 37.43 2bgr n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2bgr n SER 93 N -2.21 1.01 -0.32 0.53 3.41 -1.26 -4.46 113.62 110.32 2bgr n SER 93 Ca 0.02 -0.88 -0.04 0.00 -0.26 0.00 0.00 58.87 57.70 2bgr n SER 93 Cb 0.20 0.13 0.08 0.00 -0.26 0.00 0.00 64.21 64.36 2bgr n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2bgr h THR 94 N 1.19 1.25 -0.81 6.66 2.02 -1.83 -3.04 112.91 118.36 2bgr h THR 94 Ca 0.00 -0.61 -0.55 0.00 0.77 0.00 0.00 66.41 66.02 2bgr h THR 94 Cb 0.50 0.07 -0.32 0.00 -1.74 0.00 0.00 68.15 66.66 2bgr h THR 94 CO 0.00 0.28 0.10 0.49 0.37 0.00 0.00 175.52 176.76 2bgr n PHE 95 N -4.36 2.74 -0.12 3.16 3.72 -1.26 -4.69 117.46 116.65 2bgr n PHE 95 Ca 0.09 -2.46 -0.03 0.00 -0.05 0.00 0.00 57.45 55.00 2bgr n PHE 95 Cb 0.09 -0.88 0.19 0.00 -0.94 0.00 0.00 39.48 37.94 2bgr n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2bgr h ASP 96 N 1.86 0.75 -0.64 4.37 5.19 -1.81 -2.67 116.42 123.47 2bgr h ASP 96 Ca 0.47 -0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.61 2bgr h ASP 96 Cb 1.32 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.56 2bgr h ASP 96 CO 1.09 0.77 0.15 -0.62 -3.12 0.00 0.00 179.24 177.50 2bgr n GLU 97 N -4.26 4.09 -0.14 3.56 4.71 -1.26 -4.61 120.64 122.73 2bgr n GLU 97 Ca 0.03 -3.11 -0.05 0.00 -0.01 0.00 0.00 57.16 54.02 2bgr n GLU 97 Cb 0.25 -2.21 0.14 0.00 -1.01 0.00 0.00 31.44 28.60 2bgr n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2bgr h PHE 98 N 3.08 0.92 0.00 -0.32 3.57 -1.82 -3.47 116.94 118.90 2bgr h PHE 98 Ca 0.15 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2bgr h PHE 98 Cb 2.15 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.63 2bgr h PHE 98 CO 1.17 0.82 0.00 0.41 -2.23 0.00 0.00 178.31 178.48 2bgr n GLY 99 N -0.63 0.69 3.07 2.40 0.00 -1.26 -5.03 105.19 104.43 2bgr n GLY 99 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2bgr n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bgr s HIS 100 N -2.58 0.11 0.15 1.61 3.76 -1.26 -5.14 115.29 111.94 2bgr s HIS 100 Ca 0.00 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 2bgr s HIS 100 Cb 0.00 -0.09 -0.07 0.00 1.11 0.00 0.00 32.58 33.53 2bgr s HIS 100 CO 0.00 -0.26 1.12 -1.54 -0.85 0.00 0.00 174.74 173.21 2bgr s SER 101 N -1.42 7.21 -0.19 1.40 1.04 -1.26 -5.01 113.70 115.48 2bgr s SER 101 Ca -0.15 2.08 -0.18 0.00 0.48 0.00 0.00 55.95 58.18 2bgr s SER 101 Cb -0.08 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2bgr s SER 101 CO 0.01 -0.28 0.49 -0.63 0.98 0.00 0.00 173.24 173.81 2bgr s ILE 102 N 0.04 5.13 0.06 -1.02 1.01 -1.26 -4.49 121.20 120.67 2bgr s ILE 102 Ca 0.51 0.92 -0.08 0.00 0.00 0.00 0.00 60.65 62.00 2bgr s ILE 102 Cb -0.30 -3.82 -0.31 0.00 0.01 0.00 0.00 42.46 38.05 2bgr s ILE 102 CO 0.34 0.21 1.08 -1.13 0.00 0.00 0.00 174.94 175.44 2bgr h ASN 103 N 7.32 0.55 -5.32 3.58 -1.24 0.11 -3.49 115.58 117.10 2bgr h ASN 103 Ca -0.35 -0.60 0.15 0.00 0.71 0.00 0.00 56.30 56.21 2bgr h ASN 103 Cb 1.16 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 2bgr h ASN 103 CO 0.74 1.47 0.49 -0.62 -1.29 0.00 0.00 177.43 178.22 2bgr s ASP 104 N -7.27 -0.11 0.11 1.15 -1.08 -1.20 -5.02 116.67 103.26 2bgr s ASP 104 Ca -0.06 -0.56 -0.04 0.00 -0.52 0.00 0.00 52.55 51.37 2bgr s ASP 104 Cb 0.06 0.53 -0.02 0.00 -1.46 0.00 0.00 42.92 42.03 2bgr s ASP 104 CO 0.90 -1.01 0.11 -0.72 0.52 0.00 0.00 175.17 174.97 2bgr s TYR 105 N -2.89 0.52 -0.21 -5.34 -0.85 -1.26 -1.29 117.35 106.04 2bgr s TYR 105 Ca 0.15 -0.95 -0.05 0.00 -0.52 0.00 0.00 57.07 55.70 2bgr s TYR 105 Cb -0.02 -0.27 0.11 0.00 0.38 0.00 0.00 41.96 42.15 2bgr s TYR 105 CO 0.04 -0.54 0.38 0.45 -1.52 0.00 0.00 175.55 174.36 2bgr s SER 106 N -2.96 0.08 0.12 -0.18 0.15 -0.39 -4.97 113.70 105.55 2bgr s SER 106 Ca 0.14 0.59 -0.21 0.00 0.70 0.00 0.00 55.95 57.17 2bgr s SER 106 Cb 0.06 1.14 -0.07 0.00 -1.71 0.00 0.00 66.02 65.44 2bgr s SER 106 CO -0.04 -0.26 0.65 -0.63 1.20 0.00 0.00 173.24 174.16 2bgr s ILE 107 N 2.55 4.61 0.52 6.45 1.01 -1.26 -0.28 121.20 134.80 2bgr s ILE 107 Ca 0.05 1.36 -0.21 0.00 0.00 0.00 0.00 60.65 61.85 2bgr s ILE 107 Cb -0.14 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 2bgr s ILE 107 CO -0.13 0.49 1.21 -0.94 0.00 0.00 0.00 174.94 175.57 2bgr s SER 108 N -1.22 5.66 0.43 3.58 1.04 0.30 -4.90 113.70 118.59 2bgr s SER 108 Ca 0.33 2.41 0.20 0.00 0.48 0.00 0.00 55.95 59.37 2bgr s SER 108 Cb -0.20 -2.61 1.15 0.00 0.10 0.00 0.00 66.02 64.46 2bgr s SER 108 CO 0.22 -1.27 1.83 -0.65 0.98 0.00 0.00 173.24 174.35 2bgr h PRO 109 N 1.50 0.34 -0.14 4.02 0.11 -1.82 0.28 132.00 136.28 2bgr h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bgr h PRO 109 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bgr h PRO 109 CO 0.58 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 2bgr n ASP 110 N -4.50 1.20 0.00 -2.05 5.68 -1.16 -4.85 116.55 110.87 2bgr n ASP 110 Ca 0.21 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 2bgr n ASP 110 Cb 0.79 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 2bgr n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bgr n GLY 111 N 1.00 0.44 0.11 6.12 0.00 0.98 -4.88 105.19 108.95 2bgr n GLY 111 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2bgr n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bgr n GLN 112 N -1.73 0.61 -4.08 1.61 6.02 -1.26 -4.84 117.38 113.71 2bgr n GLN 112 Ca 0.00 0.13 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 2bgr n GLN 112 Cb 0.11 -1.82 -0.11 0.00 1.02 0.00 0.00 30.24 29.44 2bgr n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2bgr s PHE 113 N -3.30 0.71 -0.04 1.08 0.08 -1.26 -0.97 117.98 114.28 2bgr s PHE 113 Ca -0.01 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.47 2bgr s PHE 113 Cb 0.09 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 2bgr s PHE 113 CO 0.80 -0.10 -0.12 -1.50 -0.10 0.00 0.00 175.22 174.19 2bgr s ILE 114 N -1.87 1.06 -0.21 0.64 2.07 -0.65 -0.54 121.20 121.69 2bgr s ILE 114 Ca -0.05 -0.48 -0.16 0.00 -1.41 0.00 0.00 60.65 58.55 2bgr s ILE 114 Cb -0.07 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 2bgr s ILE 114 CO -0.01 0.32 0.40 -0.22 -1.91 0.00 0.00 174.94 173.53 2bgr s LEU 115 N 0.34 4.14 -0.26 8.50 2.96 0.61 -1.28 118.68 133.69 2bgr s LEU 115 Ca -0.07 0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 2bgr s LEU 115 Cb -0.12 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 2bgr s LEU 115 CO 0.02 -0.09 0.04 -0.76 -1.32 0.00 0.00 176.35 174.23 2bgr s LEU 116 N 1.41 3.43 -0.20 -0.68 1.43 0.24 -1.26 118.68 123.05 2bgr s LEU 116 Ca 0.19 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2bgr s LEU 116 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2bgr s LEU 116 CO 0.08 -0.10 0.18 -0.70 0.23 0.00 0.00 176.35 176.04 2bgr s GLU 117 N 1.52 4.18 0.34 1.70 2.12 -0.41 -1.96 118.70 126.19 2bgr s GLU 117 Ca 0.04 -0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.16 2bgr s GLU 117 Cb -0.16 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.80 2bgr s GLU 117 CO 0.01 0.24 0.54 1.52 -0.54 0.00 0.00 175.26 177.03 2bgr s TYR 118 N 0.53 0.80 -1.59 5.30 1.13 -0.68 0.16 117.35 123.00 2bgr s TYR 118 Ca 0.10 -1.14 -0.15 0.00 -1.41 0.00 0.00 57.07 54.47 2bgr s TYR 118 Cb -0.12 0.14 0.11 0.00 -1.10 0.00 0.00 41.96 40.99 2bgr s TYR 118 CO 0.01 -1.22 0.89 0.09 -2.51 0.00 0.00 175.55 172.81 2bgr n ASN 119 N -1.32 -4.03 -4.72 -0.18 3.02 -1.26 -0.22 115.26 106.56 2bgr n ASN 119 Ca -0.01 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 2bgr n ASN 119 Cb 0.61 -3.44 -0.03 0.00 -0.61 0.00 0.00 39.78 36.32 2bgr n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2bgr s TYR 120 N -3.32 2.95 -0.19 3.10 5.04 -1.26 -4.25 117.35 119.42 2bgr s TYR 120 Ca 0.66 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.77 2bgr s TYR 120 Cb -0.34 -4.00 0.06 0.00 0.35 0.00 0.00 41.96 38.03 2bgr s TYR 120 CO 0.87 -3.76 0.03 0.08 -1.34 0.00 0.00 175.55 171.44 2bgr s VAL 121 N 1.29 0.52 0.49 3.14 1.01 -0.02 -5.00 120.40 121.83 2bgr s VAL 121 Ca 0.72 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 2bgr s VAL 121 Cb -0.45 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 2bgr s VAL 121 CO 0.32 -0.19 1.35 -0.75 0.00 0.00 0.00 175.10 175.83 2bgr s LYS 122 N 1.86 3.46 0.00 2.72 2.20 -1.26 -1.79 119.74 126.93 2bgr s LYS 122 Ca -0.01 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2bgr s LYS 122 Cb -0.17 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2bgr s LYS 122 CO -0.08 -0.93 0.00 0.94 -0.36 0.00 0.00 175.35 174.92 2bgr n GLN 123 N -0.60 0.00 0.00 4.03 7.27 0.36 -4.86 117.38 123.58 2bgr n GLN 123 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2bgr n GLN 123 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 2bgr n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2bgr n TRP 124 N 0.00 0.00 -0.15 3.69 5.03 -1.18 -4.93 117.44 119.90 2bgr n TRP 124 Ca 0.00 0.00 -0.06 0.00 3.03 0.00 0.00 57.50 60.47 2bgr n TRP 124 Cb 0.00 0.00 0.12 0.00 -1.03 0.00 0.00 31.31 30.40 2bgr n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2bgr h ARG 125 N 0.00 0.90 0.00 -0.99 2.43 -1.98 -3.37 114.38 111.37 2bgr h ARG 125 Ca 0.00 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 2bgr h ARG 125 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2bgr h ARG 125 CO 0.00 0.88 -1.21 0.72 -1.51 0.00 0.00 179.97 178.86 2bgr n HIS 126 N -4.21 0.00 -2.41 2.20 8.25 -1.26 -5.06 115.22 112.73 2bgr n HIS 126 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 2bgr n HIS 126 Cb 0.31 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 2bgr n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bgr s SER 127 N -3.23 6.17 -0.05 0.41 1.04 -1.26 -4.71 113.70 112.07 2bgr s SER 127 Ca -0.02 1.92 -0.31 0.00 0.48 0.00 0.00 55.95 58.03 2bgr s SER 127 Cb 0.01 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2bgr s SER 127 CO 0.13 -0.90 1.01 -0.72 0.98 0.00 0.00 173.24 173.74 2bgr s TYR 128 N -2.07 -0.25 0.32 5.02 -0.85 -1.26 -0.49 117.35 117.77 2bgr s TYR 128 Ca 0.67 0.14 0.09 0.00 -0.52 0.00 0.00 57.07 57.45 2bgr s TYR 128 Cb -0.17 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 2bgr s TYR 128 CO 0.24 -0.44 -0.02 0.95 -1.52 0.00 0.00 175.55 174.75 2bgr s THR 129 N -2.89 2.69 0.14 -3.49 -4.23 -0.74 -4.62 115.64 102.50 2bgr s THR 129 Ca 0.07 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.30 2bgr s THR 129 Cb -0.01 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.16 2bgr s THR 129 CO -0.07 -0.25 0.87 0.00 -0.54 0.00 0.00 174.62 174.64 2bgr s ALA 130 N -2.50 -1.61 0.17 3.99 0.00 -0.84 -0.84 121.76 120.12 2bgr s ALA 130 Ca 0.34 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.60 2bgr s ALA 130 Cb -0.01 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2bgr s ALA 130 CO 0.19 -0.94 0.31 -1.12 0.00 0.00 0.00 175.76 174.19 2bgr s SER 131 N -2.82 6.34 -0.01 0.00 0.01 0.69 -2.11 113.70 115.81 2bgr s SER 131 Ca 0.09 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2bgr s SER 131 Cb -0.02 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.30 2bgr s SER 131 CO -0.01 0.02 -0.00 -0.31 0.41 0.00 0.00 173.24 173.35 2bgr s TYR 132 N -1.79 0.08 0.22 2.43 1.51 -1.26 -1.68 117.35 116.86 2bgr s TYR 132 Ca 0.35 0.01 0.11 0.00 -1.01 0.00 0.00 57.07 56.53 2bgr s TYR 132 Cb -0.11 -0.11 -0.05 0.00 -0.11 0.00 0.00 41.96 41.59 2bgr s TYR 132 CO 0.29 -0.03 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.98 2bgr s ASP 133 N 0.25 3.31 -0.10 2.29 1.01 -0.83 -4.37 116.67 118.23 2bgr s ASP 133 Ca -0.02 -0.93 0.04 0.00 0.71 0.00 0.00 52.55 52.35 2bgr s ASP 133 Cb -0.04 -0.25 -0.00 0.00 1.01 0.00 0.00 42.92 43.65 2bgr s ASP 133 CO -0.01 0.05 -0.23 -0.63 0.21 0.00 0.00 175.17 174.57 2bgr s ILE 134 N -2.08 2.20 -0.19 0.77 1.01 -1.26 -0.60 121.20 121.06 2bgr s ILE 134 Ca 0.23 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 2bgr s ILE 134 Cb -0.06 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2bgr s ILE 134 CO 0.11 0.56 0.02 -0.47 0.00 0.00 0.00 174.94 175.15 2bgr s TYR 135 N 0.30 3.10 -0.37 3.97 5.04 -0.40 -0.63 117.35 128.37 2bgr s TYR 135 Ca -0.17 -0.24 -0.26 0.00 -2.44 0.00 0.00 57.07 53.96 2bgr s TYR 135 Cb -0.17 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 40.09 2bgr s TYR 135 CO 0.08 -0.07 0.93 0.34 -1.34 0.00 0.00 175.55 175.49 2bgr s ASP 136 N 0.69 6.68 0.33 4.32 -1.08 0.14 -1.63 116.67 126.12 2bgr s ASP 136 Ca 0.01 0.59 0.17 0.00 -0.52 0.00 0.00 52.55 52.79 2bgr s ASP 136 Cb -0.14 -2.47 0.45 0.00 -1.46 0.00 0.00 42.92 39.30 2bgr s ASP 136 CO 0.02 -0.86 1.62 -0.07 0.52 0.00 0.00 175.17 176.40 2bgr h LEU 137 N 10.08 0.00 0.01 -1.34 3.38 -1.34 0.98 115.31 127.08 2bgr h LEU 137 Ca -0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 2bgr h LEU 137 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 2bgr h LEU 137 CO 0.98 0.46 -0.54 0.78 0.09 0.00 0.00 178.44 180.21 2bgr h ASN 138 N 0.00 0.46 -0.52 -0.43 2.35 -1.91 -3.19 115.58 112.33 2bgr h ASN 138 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 2bgr h ASN 138 Cb 1.09 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2bgr h ASN 138 CO 0.06 1.18 0.00 2.29 -1.65 0.00 0.00 177.43 179.32 2bgr n LYS 139 N -4.27 2.27 -4.02 0.81 2.85 -1.23 -4.96 118.16 109.61 2bgr n LYS 139 Ca -0.11 -1.97 -0.43 0.00 -1.05 0.00 0.00 58.31 54.75 2bgr n LYS 139 Cb 0.65 -1.44 0.02 0.00 -0.65 0.00 0.00 35.03 33.61 2bgr n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2bgr n ARG 140 N 1.11 -0.52 -3.78 -1.58 1.74 0.26 -4.94 116.66 108.95 2bgr n ARG 140 Ca 0.19 0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 57.29 2bgr n ARG 140 Cb 0.47 -2.91 -0.11 0.00 -1.02 0.00 0.00 32.46 28.89 2bgr n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2bgr s GLN 141 N -7.17 0.40 0.12 5.56 0.74 -0.73 -4.99 119.66 113.59 2bgr s GLN 141 Ca 0.45 0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.76 2bgr s GLN 141 Cb -0.23 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.01 2bgr s GLN 141 CO 0.95 -0.07 0.95 -1.17 -0.55 0.00 0.00 175.29 175.40 2bgr s LEU 142 N -0.29 4.51 0.00 3.68 2.96 -1.26 0.29 118.68 128.57 2bgr s LEU 142 Ca -0.04 1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.38 2bgr s LEU 142 Cb -0.03 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 2bgr s LEU 142 CO 0.01 -0.05 0.92 -0.63 -1.32 0.00 0.00 176.35 175.28 2bgr s ILE 143 N -0.09 4.86 -0.18 6.68 1.01 0.20 -4.92 121.20 128.77 2bgr s ILE 143 Ca 0.46 1.93 0.09 0.00 0.00 0.00 0.00 60.65 63.13 2bgr s ILE 143 Cb -0.23 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.86 2bgr s ILE 143 CO 0.30 0.20 0.27 0.35 0.00 0.00 0.00 174.94 176.06 2bgr n THR 144 N 3.71 0.00 -3.53 2.92 -2.24 -1.26 -4.65 114.28 109.23 2bgr n THR 144 Ca 0.04 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2bgr n THR 144 Cb 0.51 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 2bgr n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bgr s GLU 145 N -2.30 3.80 -1.39 -0.78 8.01 -1.26 -4.51 118.70 120.28 2bgr s GLU 145 Ca -0.01 0.24 -0.07 0.00 0.01 0.00 0.00 54.97 55.14 2bgr s GLU 145 Cb 0.06 -2.97 0.03 0.00 -4.31 0.00 0.00 34.13 26.95 2bgr s GLU 145 CO 0.37 0.53 0.96 0.39 0.01 0.00 0.00 175.26 177.53 2bgr n GLU 146 N 0.83 -6.14 -1.14 1.61 -0.58 -1.26 -4.66 120.64 109.29 2bgr n GLU 146 Ca -0.07 0.70 -0.32 0.00 -0.42 0.00 0.00 57.16 57.05 2bgr n GLU 146 Cb 0.52 -5.56 0.11 0.00 -0.57 0.00 0.00 31.44 25.94 2bgr n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2bgr s ARG 147 N -6.21 1.89 0.19 3.49 0.52 -1.26 -4.84 118.95 112.73 2bgr s ARG 147 Ca 0.38 1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 56.67 2bgr s ARG 147 Cb -0.18 -1.84 -0.09 0.00 0.52 0.00 0.00 34.95 33.36 2bgr s ARG 147 CO 0.79 -1.95 1.31 0.42 0.02 0.00 0.00 175.30 175.89 2bgr s ILE 148 N -2.67 3.24 0.83 1.52 1.01 -1.26 -4.98 121.20 118.89 2bgr s ILE 148 Ca 0.65 1.01 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 2bgr s ILE 148 Cb -0.21 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.71 2bgr s ILE 148 CO 0.54 0.14 1.10 -2.16 0.00 0.00 0.00 174.94 174.56 2bgr s PRO 149 N 0.02 1.75 0.76 2.79 0.04 -1.26 -4.56 135.00 134.54 2bgr s PRO 149 Ca 0.57 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 2bgr s PRO 149 Cb -0.36 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.39 2bgr s PRO 149 CO 0.37 -1.97 1.10 -0.80 0.04 0.00 0.00 177.00 175.74 2bgr s ASN 150 N -3.32 4.47 -1.56 6.66 0.01 -1.26 -3.80 114.94 116.14 2bgr s ASN 150 Ca 0.63 1.89 -0.02 0.00 -0.71 0.00 0.00 52.86 54.64 2bgr s ASN 150 Cb -0.18 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2bgr s ASN 150 CO 0.57 -2.06 0.29 0.59 -1.51 0.00 0.00 177.10 174.98 2bgr n ASN 151 N -3.39 -5.74 -4.75 -1.22 3.02 -1.21 -4.97 115.26 97.00 2bgr n ASN 151 Ca 0.10 -0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 2bgr n ASN 151 Cb 0.53 -4.66 -0.04 0.00 -0.61 0.00 0.00 39.78 34.99 2bgr n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bgr s THR 152 N -3.06 3.55 -0.12 3.41 2.01 -0.89 -4.60 115.64 115.93 2bgr s THR 152 Ca 0.14 1.47 0.18 0.00 0.31 0.00 0.00 61.69 63.80 2bgr s THR 152 Cb -0.06 -3.94 -0.21 0.00 0.01 0.00 0.00 72.50 68.30 2bgr s THR 152 CO 0.18 0.32 0.54 0.00 -0.69 0.00 0.00 174.62 174.97 2bgr n GLN 153 N 1.60 0.65 -3.63 4.92 6.02 0.43 -1.99 117.38 125.38 2bgr n GLN 153 Ca 0.00 0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 2bgr n GLN 153 Cb 0.45 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.97 2bgr n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2bgr s TRP 154 N -2.91 -0.54 0.03 1.08 -0.11 -1.20 -4.65 118.94 110.64 2bgr s TRP 154 Ca -0.06 1.31 0.02 0.00 1.22 0.00 0.00 56.10 58.60 2bgr s TRP 154 Cb 0.09 0.34 -0.02 0.00 -1.50 0.00 0.00 33.47 32.39 2bgr s TRP 154 CO 0.84 -0.27 -0.08 0.08 -4.62 0.00 0.00 176.95 172.90 2bgr s VAL 155 N 0.21 0.59 -0.18 5.86 1.01 -1.26 -1.04 120.40 125.59 2bgr s VAL 155 Ca 0.02 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2bgr s VAL 155 Cb -0.05 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.79 2bgr s VAL 155 CO -0.04 -0.19 0.47 0.28 0.00 0.00 0.00 175.10 175.62 2bgr s THR 156 N -0.95 -0.01 0.77 3.92 -1.32 -0.22 -5.00 115.64 112.83 2bgr s THR 156 Ca -0.05 0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 2bgr s THR 156 Cb -0.07 -0.67 0.06 0.00 -1.51 0.00 0.00 72.50 70.30 2bgr s THR 156 CO 0.00 0.02 1.12 0.26 -2.21 0.00 0.00 174.62 173.81 2bgr s TRP 157 N 0.89 2.32 0.92 9.09 0.52 -1.26 -1.34 118.94 130.08 2bgr s TRP 157 Ca -0.05 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.56 2bgr s TRP 157 Cb -0.06 -3.19 0.14 0.00 -1.15 0.00 0.00 33.47 29.21 2bgr s TRP 157 CO -0.07 -2.09 1.09 -1.54 0.02 0.00 0.00 176.95 174.36 2bgr s SER 158 N -2.87 3.18 0.37 2.95 1.04 -0.18 -4.88 113.70 113.32 2bgr s SER 158 Ca 0.65 1.61 0.27 0.00 0.48 0.00 0.00 55.95 58.96 2bgr s SER 158 Cb -0.21 -2.27 0.85 0.00 0.10 0.00 0.00 66.02 64.50 2bgr s SER 158 CO 0.51 -2.84 1.77 -0.65 0.98 0.00 0.00 173.24 173.01 2bgr h PRO 159 N -1.69 0.00 -4.87 4.02 0.11 -1.82 -3.43 132.00 124.32 2bgr h PRO 159 Ca -0.50 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.30 2bgr h PRO 159 Cb 1.28 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.19 2bgr h PRO 159 CO 0.52 0.00 -0.74 0.14 -0.21 0.00 0.00 178.00 177.71 2bgr s VAL 160 N -3.32 0.80 0.00 3.15 -7.23 -1.26 -4.84 120.40 107.70 2bgr s VAL 160 Ca 0.06 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2bgr s VAL 160 Cb 0.09 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2bgr s VAL 160 CO 0.56 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2bgr n GLY 161 N 1.07 0.35 2.17 2.32 0.00 -1.26 -4.57 105.19 105.26 2bgr n GLY 161 Ca -0.20 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 2bgr n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2bgr n HIS 162 N 12.02 -1.21 -1.81 1.61 1.44 -1.26 -3.01 115.22 123.01 2bgr n HIS 162 Ca 0.00 -1.37 -0.31 0.00 -2.01 0.00 0.00 57.72 54.03 2bgr n HIS 162 Cb 0.00 1.10 0.03 0.00 0.12 0.00 0.00 29.99 31.23 2bgr n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2bgr s LYS 163 N -0.17 3.26 0.04 -1.40 1.02 -1.26 -4.57 119.74 116.65 2bgr s LYS 163 Ca 0.08 0.95 0.04 0.00 0.02 0.00 0.00 55.97 57.06 2bgr s LYS 163 Cb 0.31 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2bgr s LYS 163 CO -0.09 -0.84 -0.11 -0.51 -0.92 0.00 0.00 175.35 172.88 2bgr s LEU 164 N -5.12 2.20 -0.04 3.17 1.43 -0.35 -1.01 118.68 118.96 2bgr s LEU 164 Ca 0.58 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2bgr s LEU 164 Cb -0.13 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.70 2bgr s LEU 164 CO 0.49 -0.06 -0.13 0.00 0.23 0.00 0.00 176.35 176.88 2bgr s ALA 165 N -1.00 1.20 0.04 4.21 0.00 -0.45 -0.97 121.76 124.79 2bgr s ALA 165 Ca -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 2bgr s ALA 165 Cb -0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2bgr s ALA 165 CO 0.01 0.20 0.05 1.52 0.00 0.00 0.00 175.76 177.54 2bgr s TYR 166 N 0.19 0.27 -0.13 0.00 -0.85 -0.37 -1.05 117.35 115.40 2bgr s TYR 166 Ca -0.05 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 55.91 2bgr s TYR 166 Cb -0.11 -0.19 -0.00 0.00 0.38 0.00 0.00 41.96 42.04 2bgr s TYR 166 CO 0.02 -0.34 -0.19 0.08 -1.52 0.00 0.00 175.55 173.59 2bgr s VAL 167 N -2.68 2.41 -0.08 -3.49 1.01 -0.20 -0.33 120.40 117.04 2bgr s VAL 167 Ca -0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2bgr s VAL 167 Cb -0.01 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.43 2bgr s VAL 167 CO -0.05 0.54 0.17 0.86 0.00 0.00 0.00 175.10 176.62 2bgr s TRP 168 N 0.61 -0.20 -1.49 5.22 -0.00 -0.46 -0.43 118.94 122.18 2bgr s TRP 168 Ca -0.10 0.56 -0.12 0.00 -0.00 0.00 0.00 56.10 56.44 2bgr s TRP 168 Cb -0.16 -0.06 0.07 0.00 -0.00 0.00 0.00 33.47 33.31 2bgr s TRP 168 CO 0.03 -0.19 0.96 0.09 -0.00 0.00 0.00 176.95 177.84 2bgr n ASN 169 N 4.29 -5.12 -0.30 5.86 5.03 -1.26 -2.37 115.26 121.38 2bgr n ASN 169 Ca -0.25 -0.68 -0.04 0.00 0.87 0.00 0.00 54.58 54.49 2bgr n ASN 169 Cb 0.52 -4.08 -0.02 0.00 -1.02 0.00 0.00 39.78 35.18 2bgr n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2bgr n ASN 170 N -2.80 -4.52 -4.35 6.41 5.03 -1.26 -4.31 115.26 109.46 2bgr n ASN 170 Ca 0.02 0.10 -0.25 0.00 0.87 0.00 0.00 54.58 55.33 2bgr n ASN 170 Cb 0.54 -2.37 -0.12 0.00 -1.02 0.00 0.00 39.78 36.81 2bgr n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2bgr s ASP 171 N -2.31 2.89 -0.02 6.41 1.01 -1.00 -2.02 116.67 121.63 2bgr s ASP 171 Ca 0.00 -0.79 -0.17 0.00 0.71 0.00 0.00 52.55 52.31 2bgr s ASP 171 Cb 0.00 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.69 2bgr s ASP 171 CO 0.00 0.06 0.45 -0.63 0.21 0.00 0.00 175.17 175.27 2bgr s ILE 172 N -1.53 5.03 0.08 0.77 1.01 -1.26 -1.36 121.20 123.94 2bgr s ILE 172 Ca 0.14 0.93 0.06 0.00 0.00 0.00 0.00 60.65 61.78 2bgr s ILE 172 Cb -0.08 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2bgr s ILE 172 CO 0.06 0.50 -0.16 -0.31 0.00 0.00 0.00 174.94 175.03 2bgr s TYR 173 N -0.55 1.36 -0.06 3.97 1.51 0.56 -0.78 117.35 123.35 2bgr s TYR 173 Ca 0.25 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 2bgr s TYR 173 Cb -0.17 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 2bgr s TYR 173 CO 0.13 0.10 -0.14 0.08 -1.11 0.00 0.00 175.55 174.61 2bgr s VAL 174 N -1.31 1.21 -0.19 0.71 1.01 -0.43 -1.24 120.40 120.16 2bgr s VAL 174 Ca 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2bgr s VAL 174 Cb -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2bgr s VAL 174 CO 0.03 0.37 -0.07 -0.54 0.00 0.00 0.00 175.10 174.88 2bgr s LYS 175 N 0.45 3.37 0.10 2.72 1.02 -0.14 -0.48 119.74 126.78 2bgr s LYS 175 Ca -0.11 -0.65 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 2bgr s LYS 175 Cb -0.14 -2.89 -0.20 0.00 -0.52 0.00 0.00 37.83 34.08 2bgr s LYS 175 CO 0.03 -0.08 1.22 0.82 -0.92 0.00 0.00 175.35 176.42 2bgr h ILE 176 N 5.63 1.51 -4.01 2.17 1.08 -1.84 -0.92 117.51 121.12 2bgr h ILE 176 Ca -0.38 -2.94 -0.39 0.00 -0.39 0.00 0.00 64.86 60.75 2bgr h ILE 176 Cb 1.17 2.77 -0.25 0.00 -3.07 0.00 0.00 36.82 37.45 2bgr h ILE 176 CO 0.60 0.86 -0.78 -1.61 -0.69 0.00 0.00 178.15 176.53 2bgr s GLU 177 N -2.85 0.78 0.50 2.37 0.41 -1.26 -4.27 118.70 114.37 2bgr s GLU 177 Ca -0.03 -0.64 0.17 0.00 -0.41 0.00 0.00 54.97 54.06 2bgr s GLU 177 Cb 0.08 -0.74 1.22 0.00 -1.78 0.00 0.00 34.13 32.92 2bgr s GLU 177 CO 0.86 0.18 2.06 -1.35 -0.49 0.00 0.00 175.26 176.53 2bgr h PRO 178 N 5.11 0.13 -0.33 0.39 0.11 -1.86 -1.57 132.00 133.97 2bgr h PRO 178 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2bgr h PRO 178 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bgr h PRO 178 CO 0.45 0.08 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 2bgr n ASN 179 N -4.47 2.71 -4.84 -2.05 6.94 -1.26 -4.85 115.26 107.44 2bgr n ASN 179 Ca 0.04 -1.90 -0.24 0.00 -0.02 0.00 0.00 54.58 52.46 2bgr n ASN 179 Cb 0.29 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.45 2bgr n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2bgr s LEU 180 N -1.44 3.91 0.70 -4.53 1.43 -0.59 -4.65 118.68 113.50 2bgr s LEU 180 Ca 0.36 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2bgr s LEU 180 Cb 0.20 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.96 2bgr s LEU 180 CO 0.28 0.01 1.27 -2.65 0.23 0.00 0.00 176.35 175.49 2bgr n PRO 181 N -0.82 0.84 -2.74 1.29 -0.02 -1.26 -4.82 135.00 127.46 2bgr n PRO 181 Ca -0.08 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 2bgr n PRO 181 Cb 0.56 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 2bgr n PRO 181 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2bgr s SER 182 N -1.60 7.02 -0.25 2.55 0.01 -1.26 -4.72 113.70 115.45 2bgr s SER 182 Ca 0.80 1.82 -0.12 0.00 1.31 0.00 0.00 55.95 59.76 2bgr s SER 182 Cb -0.35 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.27 2bgr s SER 182 CO 0.43 -0.30 0.24 -0.31 0.41 0.00 0.00 173.24 173.71 2bgr s TYR 183 N -1.87 3.28 -0.12 2.43 2.02 0.37 -4.92 117.35 118.53 2bgr s TYR 183 Ca 0.57 0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 57.26 2bgr s TYR 183 Cb -0.15 -2.39 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 2bgr s TYR 183 CO 0.20 -0.06 1.00 0.50 -1.57 0.00 0.00 175.55 175.61 2bgr s ARG 184 N 1.47 4.40 -0.19 -0.62 3.52 -1.26 -1.31 118.95 124.95 2bgr s ARG 184 Ca 0.10 1.36 -0.05 0.00 -0.13 0.00 0.00 55.73 57.01 2bgr s ARG 184 Cb -0.15 -3.55 -0.21 0.00 -1.56 0.00 0.00 34.95 29.48 2bgr s ARG 184 CO 0.08 -0.35 0.07 -0.89 -0.81 0.00 0.00 175.30 173.40 2bgr n ILE 185 N 4.64 1.63 -4.34 4.11 2.08 0.04 -4.46 119.36 123.06 2bgr n ILE 185 Ca 0.09 -0.56 -0.25 0.00 0.56 0.00 0.00 62.75 62.59 2bgr n ILE 185 Cb 0.48 -1.65 -0.13 0.00 -0.75 0.00 0.00 39.64 37.60 2bgr n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2bgr s THR 186 N -2.53 1.83 0.00 1.39 -4.23 -1.19 -4.77 115.64 106.14 2bgr s THR 186 Ca -0.29 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2bgr s THR 186 Cb 0.08 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2bgr s THR 186 CO 0.67 -0.01 0.86 0.79 -0.54 0.00 0.00 174.62 176.39 2bgr n TRP 187 N 1.11 0.00 0.78 3.99 7.02 -1.26 -4.47 117.44 124.62 2bgr n TRP 187 Ca -0.19 -0.36 0.08 0.00 -1.02 0.00 0.00 57.50 56.01 2bgr n TRP 187 Cb 0.53 -0.04 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 2bgr n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2bgr n THR 188 N -0.36 0.00 -1.70 -0.99 -2.24 -1.26 -5.01 114.28 102.71 2bgr n THR 188 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 2bgr n THR 188 Cb 0.30 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 2bgr n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bgr n GLY 189 N 1.25 0.60 3.49 3.38 0.00 -1.26 -4.68 105.19 107.97 2bgr n GLY 189 Ca 0.06 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 2bgr n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bgr s LYS 190 N -1.90 0.52 0.02 1.61 2.20 -0.70 -4.91 119.74 116.58 2bgr s LYS 190 Ca 0.56 1.29 -0.38 0.00 -0.36 0.00 0.00 55.97 57.08 2bgr s LYS 190 Cb -0.56 0.69 -0.18 0.00 -1.51 0.00 0.00 37.83 36.27 2bgr s LYS 190 CO 0.62 -0.28 1.26 -1.91 -0.36 0.00 0.00 175.35 174.69 2bgr n GLU 191 N 5.43 0.69 -0.88 4.03 2.13 -1.26 -0.89 120.64 129.90 2bgr n GLU 191 Ca -0.10 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2bgr n GLU 191 Cb 0.49 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.37 2bgr n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2bgr n ASP 192 N 2.30 -4.08 0.06 4.31 8.00 -1.26 -4.74 116.55 121.14 2bgr n ASP 192 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2bgr n ASP 192 Cb 0.14 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 2bgr n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bgr n ILE 193 N -2.08 0.47 -4.14 0.53 2.08 -0.07 -4.68 119.36 111.47 2bgr n ILE 193 Ca 0.00 0.15 -0.34 0.00 0.56 0.00 0.00 62.75 63.12 2bgr n ILE 193 Cb 0.32 -0.94 -0.14 0.00 -0.75 0.00 0.00 39.64 38.12 2bgr n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2bgr s ILE 194 N -1.64 3.14 -0.29 1.39 -1.09 -0.52 -0.02 121.20 122.17 2bgr s ILE 194 Ca 0.00 -0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 57.83 2bgr s ILE 194 Cb 0.00 -2.39 0.05 0.00 -1.58 0.00 0.00 42.46 38.54 2bgr s ILE 194 CO 0.00 0.46 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.84 2bgr s TYR 195 N 1.18 3.25 -0.31 3.97 1.51 -0.10 -1.72 117.35 125.13 2bgr s TYR 195 Ca 0.02 -1.94 -0.11 0.00 -1.01 0.00 0.00 57.07 54.03 2bgr s TYR 195 Cb -0.14 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 2bgr s TYR 195 CO -0.03 -0.81 0.18 -0.80 -1.11 0.00 0.00 175.55 172.98 2bgr s ASN 196 N 1.23 5.75 0.00 2.29 0.01 -0.86 -1.13 114.94 122.23 2bgr s ASN 196 Ca -0.06 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 2bgr s ASN 196 Cb -0.20 -2.06 0.00 0.00 0.41 0.00 0.00 41.25 39.41 2bgr s ASN 196 CO -0.02 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 2bgr n GLY 197 N 5.03 0.94 3.19 0.66 0.00 -0.52 -4.37 105.19 110.11 2bgr n GLY 197 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2bgr n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bgr s ILE 198 N -3.74 0.87 0.38 -0.61 -4.36 -1.26 -0.72 121.20 111.75 2bgr s ILE 198 Ca 0.00 -1.84 -0.05 0.00 -0.26 0.00 0.00 60.65 58.50 2bgr s ILE 198 Cb 0.00 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 2bgr s ILE 198 CO 0.00 -0.73 0.66 0.42 0.24 0.00 0.00 174.94 175.53 2bgr s THR 199 N -3.11 4.96 0.70 8.37 -4.23 0.17 -4.71 115.64 117.79 2bgr s THR 199 Ca 0.10 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.64 2bgr s THR 199 Cb 0.02 -3.79 0.16 0.00 1.34 0.00 0.00 72.50 70.22 2bgr s THR 199 CO -0.02 -0.55 0.95 -0.90 -0.54 0.00 0.00 174.62 173.57 2bgr n ASP 200 N -1.51 0.33 -0.08 3.99 5.75 -1.26 -4.79 116.55 118.98 2bgr n ASP 200 Ca -0.01 -1.50 -0.07 0.00 -0.01 0.00 0.00 54.79 53.20 2bgr n ASP 200 Cb 0.55 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 2bgr n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2bgr h TRP 201 N -1.32 -0.22 0.03 2.11 7.01 -2.00 -1.12 115.95 120.45 2bgr h TRP 201 Ca -0.31 0.03 -0.22 0.00 2.11 0.00 0.00 58.89 60.50 2bgr h TRP 201 Cb 0.91 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 2bgr h TRP 201 CO 0.00 -0.16 -0.99 -0.24 -2.79 0.00 0.00 178.44 174.26 2bgr h VAL 202 N -0.03 1.52 -0.22 2.65 3.04 -1.94 -1.99 116.25 119.28 2bgr h VAL 202 Ca 0.15 -2.84 -0.15 0.00 -1.01 0.00 0.00 66.70 62.84 2bgr h VAL 202 Cb 0.25 2.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.17 2bgr h VAL 202 CO -0.32 0.83 -0.50 1.88 -1.01 0.00 0.00 177.57 178.45 2bgr h TYR 203 N 0.09 0.74 0.10 3.17 -1.99 -1.91 -0.06 116.97 117.12 2bgr h TYR 203 Ca -0.06 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.42 2bgr h TYR 203 Cb 1.67 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 40.26 2bgr h TYR 203 CO 0.04 0.97 -0.05 1.49 -0.00 0.00 0.00 178.16 180.61 2bgr h GLU 204 N 0.47 -0.13 0.06 4.88 4.81 -1.08 0.22 114.58 123.80 2bgr h GLU 204 Ca 0.02 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 2bgr h GLU 204 Cb 1.03 0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.46 2bgr h GLU 204 CO 0.10 -0.08 -0.64 1.49 -0.73 0.00 0.00 179.01 179.15 2bgr h GLU 205 N -0.15 0.33 0.00 1.92 4.57 -1.32 -2.50 114.58 117.43 2bgr h GLU 205 Ca -0.01 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2bgr h GLU 205 Cb 0.12 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2bgr h GLU 205 CO 0.02 1.14 -0.81 0.39 -1.18 0.00 0.00 179.01 178.58 2bgr n GLU 206 N -4.21 2.26 0.01 1.92 -0.58 -0.04 -4.55 120.64 115.45 2bgr n GLU 206 Ca -0.12 -0.02 -0.02 0.00 -0.42 0.00 0.00 57.16 56.58 2bgr n GLU 206 Cb 0.71 -1.15 -0.01 0.00 -0.57 0.00 0.00 31.44 30.43 2bgr n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bgr n VAL 207 N -1.44 0.95 1.00 2.62 0.31 -0.94 -4.86 118.33 115.98 2bgr n VAL 207 Ca 0.01 0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.73 2bgr n VAL 207 Cb 0.23 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 2bgr n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2bgr n PHE 208 N -3.40 0.00 -4.13 3.52 3.72 0.02 -4.96 117.46 112.22 2bgr n PHE 208 Ca -0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 2bgr n PHE 208 Cb 0.09 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 2bgr n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2bgr n SER 209 N -1.43 -2.69 -3.56 4.37 7.64 -0.96 -4.91 113.62 112.08 2bgr n SER 209 Ca 0.05 -0.99 -0.08 0.00 1.01 0.00 0.00 58.87 58.85 2bgr n SER 209 Cb 0.34 -2.92 -0.04 0.00 -1.01 0.00 0.00 64.21 60.58 2bgr n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bgr s ALA 210 N -3.47 -1.94 0.06 -0.43 0.00 -1.13 -4.98 121.76 109.87 2bgr s ALA 210 Ca 0.55 1.45 0.07 0.00 0.00 0.00 0.00 51.96 54.03 2bgr s ALA 210 Cb -0.30 -0.35 -0.23 0.00 0.00 0.00 0.00 23.12 22.25 2bgr s ALA 210 CO 0.91 -0.46 1.06 -0.92 0.00 0.00 0.00 175.76 176.34 2bgr h TYR 211 N 2.26 0.07 -3.67 0.00 3.20 -1.87 -3.38 116.97 113.58 2bgr h TYR 211 Ca -0.17 -0.05 -0.52 0.00 3.14 0.00 0.00 58.73 61.13 2bgr h TYR 211 Cb 1.19 -0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.49 2bgr h TYR 211 CO 0.27 1.06 0.60 -1.54 -1.64 0.00 0.00 178.16 176.91 2bgr s SER 212 N -6.59 6.95 -0.40 -2.11 1.04 -1.26 -0.65 113.70 110.68 2bgr s SER 212 Ca -0.02 2.47 0.10 0.00 0.48 0.00 0.00 55.95 58.97 2bgr s SER 212 Cb 0.09 -2.63 0.43 0.00 0.10 0.00 0.00 66.02 64.02 2bgr s SER 212 CO 0.83 -0.43 1.06 0.00 0.98 0.00 0.00 173.24 175.68 2bgr n ALA 213 N 1.60 4.48 -2.83 5.32 0.00 0.10 -4.68 120.51 124.51 2bgr n ALA 213 Ca 0.02 -3.90 -0.27 0.00 0.00 0.00 0.00 53.44 49.29 2bgr n ALA 213 Cb 0.43 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 2bgr n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bgr s LEU 214 N -3.40 1.96 -0.27 0.00 1.43 -1.24 -2.37 118.68 114.79 2bgr s LEU 214 Ca 0.41 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2bgr s LEU 214 Cb 0.42 -1.05 0.09 0.00 0.03 0.00 0.00 46.19 45.69 2bgr s LEU 214 CO -0.11 0.18 0.12 0.26 0.23 0.00 0.00 176.35 177.03 2bgr s TRP 215 N -0.05 0.38 0.43 0.29 0.51 0.74 -5.00 118.94 116.24 2bgr s TRP 215 Ca -0.03 -0.82 -0.25 0.00 -2.12 0.00 0.00 56.10 52.89 2bgr s TRP 215 Cb -0.11 -0.90 -0.08 0.00 -0.81 0.00 0.00 33.47 31.56 2bgr s TRP 215 CO 0.02 -0.77 1.26 -1.58 -0.51 0.00 0.00 176.95 175.37 2bgr s TRP 216 N 2.08 2.82 0.73 -1.98 0.52 -1.26 -1.21 118.94 120.63 2bgr s TRP 216 Ca 0.08 1.45 -0.12 0.00 0.02 0.00 0.00 56.10 57.53 2bgr s TRP 216 Cb -0.16 -3.59 0.03 0.00 -1.15 0.00 0.00 33.47 28.60 2bgr s TRP 216 CO -0.31 -1.94 1.09 -1.54 0.02 0.00 0.00 176.95 174.27 2bgr s SER 217 N -0.92 4.79 0.36 2.95 1.04 0.65 -4.92 113.70 117.65 2bgr s SER 217 Ca 0.59 1.86 0.08 0.00 0.48 0.00 0.00 55.95 58.97 2bgr s SER 217 Cb -0.36 -2.53 0.80 0.00 0.10 0.00 0.00 66.02 64.03 2bgr s SER 217 CO 0.45 -1.84 1.89 -0.65 0.98 0.00 0.00 173.24 174.07 2bgr h PRO 218 N -0.69 0.69 -0.47 4.02 0.11 -1.90 -0.79 132.00 132.98 2bgr h PRO 218 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bgr h PRO 218 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2bgr h PRO 218 CO 0.53 0.46 0.00 0.27 -0.21 0.00 0.00 178.00 179.05 2bgr n ASN 219 N -4.54 3.52 0.00 -2.05 0.23 -1.26 -4.37 115.26 106.79 2bgr n ASN 219 Ca 0.16 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 2bgr n ASN 219 Cb 0.41 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2bgr n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bgr n GLY 220 N 1.44 0.76 0.08 4.83 0.00 -0.30 -4.69 105.19 107.31 2bgr n GLY 220 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2bgr n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bgr h THR 221 N 0.00 1.21 -3.53 2.61 2.02 -1.94 -3.44 112.91 109.84 2bgr h THR 221 Ca 0.00 -0.66 -0.67 0.00 0.77 0.00 0.00 66.41 65.85 2bgr h THR 221 Cb 0.00 1.51 -0.16 0.00 -1.74 0.00 0.00 68.15 67.75 2bgr h THR 221 CO 0.00 0.18 -0.68 -0.36 0.37 0.00 0.00 175.52 175.03 2bgr s PHE 222 N -5.17 2.95 -0.24 3.16 0.08 -1.26 -0.68 117.98 116.82 2bgr s PHE 222 Ca -0.14 0.01 0.02 0.00 0.12 0.00 0.00 56.93 56.93 2bgr s PHE 222 Cb 0.05 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2bgr s PHE 222 CO 0.69 0.40 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.92 2bgr s LEU 223 N -1.40 3.15 0.27 -0.37 2.96 -0.36 -0.25 118.68 122.67 2bgr s LEU 223 Ca 0.17 -1.16 -0.10 0.00 -0.22 0.00 0.00 54.13 52.83 2bgr s LEU 223 Cb -0.11 -1.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 2bgr s LEU 223 CO 0.08 -0.14 0.60 0.00 -1.32 0.00 0.00 176.35 175.56 2bgr s ALA 224 N 1.18 3.52 0.04 5.97 0.00 -0.35 -1.50 121.76 130.62 2bgr s ALA 224 Ca -0.04 -0.27 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 2bgr s ALA 224 Cb -0.18 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.51 2bgr s ALA 224 CO -0.06 0.39 0.52 1.52 0.00 0.00 0.00 175.76 178.12 2bgr s TYR 225 N -1.94 -0.42 0.09 0.00 1.13 -0.07 -0.18 117.35 115.96 2bgr s TYR 225 Ca 0.48 0.50 0.02 0.00 -1.41 0.00 0.00 57.07 56.66 2bgr s TYR 225 Cb -0.11 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.04 2bgr s TYR 225 CO 0.23 -0.63 0.16 0.00 -2.51 0.00 0.00 175.55 172.80 2bgr s ALA 226 N -2.32 3.78 -0.10 9.51 0.00 -1.00 -0.95 121.76 130.68 2bgr s ALA 226 Ca -0.06 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.95 2bgr s ALA 226 Cb -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2bgr s ALA 226 CO -0.01 0.73 -0.18 -1.14 0.00 0.00 0.00 175.76 175.15 2bgr s GLN 227 N -2.62 2.50 -0.08 0.00 0.74 0.04 -1.44 119.66 118.79 2bgr s GLN 227 Ca 0.32 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 2bgr s GLN 227 Cb -0.12 -2.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.96 2bgr s GLN 227 CO 0.25 0.04 -0.03 -0.06 -0.55 0.00 0.00 175.29 174.95 2bgr s PHE 228 N 0.68 3.06 -0.21 1.67 0.08 -0.29 -1.42 117.98 121.56 2bgr s PHE 228 Ca -0.12 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.04 2bgr s PHE 228 Cb -0.16 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2bgr s PHE 228 CO 0.03 0.38 -0.13 1.21 -0.10 0.00 0.00 175.22 176.61 2bgr s ASN 229 N -0.77 3.67 -0.19 1.36 3.84 -0.39 -0.92 114.94 121.53 2bgr s ASN 229 Ca 0.12 -0.99 0.16 0.00 0.21 0.00 0.00 52.86 52.35 2bgr s ASN 229 Cb -0.11 -1.39 0.55 0.00 -0.55 0.00 0.00 41.25 39.74 2bgr s ASN 229 CO 0.02 -0.12 1.45 0.47 -2.79 0.00 0.00 177.10 176.12 2bgr n ASP 230 N 4.59 3.88 -0.28 -4.21 9.92 0.97 -1.78 116.55 129.64 2bgr n ASP 230 Ca -0.16 -3.08 0.02 0.00 -0.53 0.00 0.00 54.79 51.04 2bgr n ASP 230 Cb 0.46 -0.56 0.09 0.00 -0.64 0.00 0.00 41.12 40.47 2bgr n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2bgr h THR 231 N 1.84 0.18 -0.45 -3.53 2.02 -1.85 -1.54 112.91 109.58 2bgr h THR 231 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2bgr h THR 231 Cb 1.51 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2bgr h THR 231 CO 0.26 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.53 2bgr n GLU 232 N -5.52 3.32 -2.65 6.66 1.02 -1.26 -4.92 120.64 117.29 2bgr n GLU 232 Ca 0.11 -2.67 -0.42 0.00 -0.02 0.00 0.00 57.16 54.16 2bgr n GLU 232 Cb 0.40 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2bgr n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bgr s VAL 233 N -1.96 4.70 0.79 2.62 1.01 -0.58 -4.66 120.40 122.32 2bgr s VAL 233 Ca 0.41 1.97 -0.11 0.00 0.00 0.00 0.00 61.98 64.25 2bgr s VAL 233 Cb 0.28 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.47 2bgr s VAL 233 CO 0.17 0.03 1.10 -2.84 0.00 0.00 0.00 175.10 173.56 2bgr s PRO 234 N 1.89 2.05 -0.16 2.72 0.02 -1.26 -4.73 135.00 135.53 2bgr s PRO 234 Ca 0.50 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.70 2bgr s PRO 234 Cb -0.20 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 2bgr s PRO 234 CO 0.20 -1.81 0.10 -0.51 -0.33 0.00 0.00 177.00 174.65 2bgr s LEU 235 N -5.99 4.10 0.09 -5.54 1.43 -1.26 -1.16 118.68 110.35 2bgr s LEU 235 Ca 0.63 0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 2bgr s LEU 235 Cb -0.18 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 2bgr s LEU 235 CO 0.56 0.27 0.82 -0.51 0.23 0.00 0.00 176.35 177.71 2bgr s ILE 236 N -0.17 4.59 -0.06 -0.59 1.10 -0.09 -4.86 121.20 121.11 2bgr s ILE 236 Ca 0.09 1.76 0.05 0.00 -0.51 0.00 0.00 60.65 62.04 2bgr s ILE 236 Cb -0.12 -4.18 -0.01 0.00 0.15 0.00 0.00 42.46 38.31 2bgr s ILE 236 CO 0.01 0.39 -0.22 -1.61 -2.11 0.00 0.00 174.94 171.40 2bgr s GLU 237 N -0.28 2.33 0.08 3.50 2.02 -1.26 -1.22 118.70 123.87 2bgr s GLU 237 Ca 0.40 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.47 2bgr s GLU 237 Cb -0.22 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.09 2bgr s GLU 237 CO 0.25 0.29 0.33 1.52 0.02 0.00 0.00 175.26 177.67 2bgr s TYR 238 N 0.02 -0.12 0.29 1.61 1.13 -0.71 -4.99 117.35 114.58 2bgr s TYR 238 Ca -0.07 -0.11 -0.22 0.00 -1.41 0.00 0.00 57.07 55.27 2bgr s TYR 238 Cb -0.14 0.14 -0.09 0.00 -1.10 0.00 0.00 41.96 40.77 2bgr s TYR 238 CO 0.04 -0.58 0.83 -1.12 -2.51 0.00 0.00 175.55 172.20 2bgr s SER 239 N -2.43 7.12 -0.08 -0.18 0.01 -1.26 -0.33 113.70 116.55 2bgr s SER 239 Ca -0.01 1.58 0.01 0.00 1.31 0.00 0.00 55.95 58.85 2bgr s SER 239 Cb 0.01 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.77 2bgr s SER 239 CO -0.07 -0.07 -0.10 0.12 0.41 0.00 0.00 173.24 173.53 2bgr s PHE 240 N -1.67 1.38 -0.11 2.43 5.36 0.44 -4.67 117.98 121.14 2bgr s PHE 240 Ca 0.49 -0.57 0.04 0.00 -0.96 0.00 0.00 56.93 55.93 2bgr s PHE 240 Cb -0.16 -1.08 -0.24 0.00 -0.34 0.00 0.00 43.02 41.20 2bgr s PHE 240 CO 0.21 -0.35 0.39 0.66 -1.46 0.00 0.00 175.22 174.66 2bgr n TYR 241 N 4.26 0.90 -4.40 10.12 4.02 -1.26 -1.09 117.16 129.70 2bgr n TYR 241 Ca -0.19 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2bgr n TYR 241 Cb 0.51 -1.14 0.00 0.00 -0.02 0.00 0.00 39.34 38.69 2bgr n TYR 241 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2bgr n SER 242 N -3.21 -1.61 -4.73 7.72 2.88 -1.26 -4.73 113.62 108.68 2bgr n SER 242 Ca -0.28 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 56.92 2bgr n SER 242 Cb 1.06 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.59 2bgr n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2bgr s ASP 243 N -4.00 4.47 0.53 -3.46 1.01 -1.26 -4.89 116.67 109.06 2bgr s ASP 243 Ca 0.00 2.33 0.27 0.00 0.71 0.00 0.00 52.55 55.86 2bgr s ASP 243 Cb 0.00 -2.59 1.41 0.00 1.01 0.00 0.00 42.92 42.76 2bgr s ASP 243 CO 0.00 -2.08 1.95 -0.08 0.21 0.00 0.00 175.17 175.17 2bgr h GLU 244 N -0.06 0.02 0.00 8.23 4.81 -2.05 -0.86 114.58 124.68 2bgr h GLU 244 Ca -0.48 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2bgr h GLU 244 Cb 1.29 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2bgr h GLU 244 CO 0.51 0.01 -0.00 0.66 -0.73 0.00 0.00 179.01 179.46 2bgr h SER 245 N 0.02 0.00 -3.50 1.04 4.64 -1.94 -3.43 113.55 110.39 2bgr h SER 245 Ca 0.33 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.08 2bgr h SER 245 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.31 2bgr h SER 245 CO -0.01 0.00 0.85 -0.22 -0.87 0.00 0.00 176.83 176.59 2bgr s LEU 246 N -6.23 3.82 0.14 5.97 2.96 -0.33 -4.93 118.68 120.07 2bgr s LEU 246 Ca -0.03 0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 54.50 2bgr s LEU 246 Cb 0.12 -3.51 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 2bgr s LEU 246 CO 0.46 -1.03 1.59 -0.61 -1.32 0.00 0.00 176.35 175.43 2bgr h GLN 247 N 8.60 0.77 -5.35 1.98 4.15 -1.89 -3.42 115.11 119.95 2bgr h GLN 247 Ca -0.22 -0.24 -0.67 0.00 0.77 0.00 0.00 58.65 58.29 2bgr h GLN 247 Cb 1.06 -0.07 -0.29 0.00 0.21 0.00 0.00 27.48 28.39 2bgr h GLN 247 CO 1.07 0.83 -0.81 0.71 -1.93 0.00 0.00 178.83 178.70 2bgr s TYR 248 N -5.03 2.70 0.56 3.99 1.51 -1.26 -5.11 117.35 114.72 2bgr s TYR 248 Ca -0.13 -0.80 -0.21 0.00 -1.01 0.00 0.00 57.07 54.93 2bgr s TYR 248 Cb 0.11 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 2bgr s TYR 248 CO 0.80 -0.29 1.24 -2.30 -1.11 0.00 0.00 175.55 173.89 2bgr n PRO 249 N 3.49 1.40 -3.27 -1.71 -0.02 -1.26 -5.00 135.00 128.63 2bgr n PRO 249 Ca -0.18 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 2bgr n PRO 249 Cb 0.53 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2bgr n PRO 249 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bgr s LYS 250 N -2.86 4.07 -0.31 -0.52 -0.14 -0.25 -4.91 119.74 114.82 2bgr s LYS 250 Ca 0.74 0.62 -0.12 0.00 -1.36 0.00 0.00 55.97 55.85 2bgr s LYS 250 Cb -0.42 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 2bgr s LYS 250 CO 0.48 0.44 0.21 0.99 -0.76 0.00 0.00 175.35 176.71 2bgr s THR 251 N -1.49 5.25 0.02 2.17 2.01 -1.26 -0.42 115.64 121.92 2bgr s THR 251 Ca 0.40 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.13 2bgr s THR 251 Cb -0.15 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2bgr s THR 251 CO 0.20 0.14 0.79 -0.69 -0.69 0.00 0.00 174.62 174.36 2bgr s VAL 252 N 1.74 4.80 -0.14 3.82 1.01 0.55 -4.92 120.40 127.26 2bgr s VAL 252 Ca 0.07 1.66 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 2bgr s VAL 252 Cb -0.17 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.11 2bgr s VAL 252 CO 0.10 0.32 -0.08 -0.13 0.00 0.00 0.00 175.10 175.32 2bgr s ARG 253 N 0.23 1.60 -0.10 2.72 0.52 -1.26 -1.73 118.95 120.93 2bgr s ARG 253 Ca 0.40 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 2bgr s ARG 253 Cb -0.20 -1.81 0.02 0.00 0.52 0.00 0.00 34.95 33.48 2bgr s ARG 253 CO 0.23 -0.32 -0.12 0.08 0.02 0.00 0.00 175.30 175.18 2bgr s VAL 254 N 1.65 1.26 -0.18 3.52 1.01 -0.36 -4.96 120.40 122.35 2bgr s VAL 254 Ca 0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2bgr s VAL 254 Cb -0.14 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2bgr s VAL 254 CO -0.08 0.40 2.01 -2.84 0.00 0.00 0.00 175.10 174.59 2bgr s PRO 255 N 1.09 3.47 -0.13 2.72 0.02 -1.26 -0.92 135.00 139.99 2bgr s PRO 255 Ca -0.06 2.01 -0.04 0.00 0.02 0.00 0.00 61.00 62.93 2bgr s PRO 255 Cb -0.14 -4.25 0.06 0.00 0.02 0.00 0.00 34.50 30.19 2bgr s PRO 255 CO -0.02 -1.71 0.18 -0.47 -0.33 0.00 0.00 177.00 174.65 2bgr s TYR 256 N 6.84 -0.18 -0.40 6.54 6.14 -0.31 -4.47 117.35 131.50 2bgr s TYR 256 Ca 0.91 0.41 -0.23 0.00 0.64 0.00 0.00 57.07 58.79 2bgr s TYR 256 Cb -0.32 -0.33 0.02 0.00 0.42 0.00 0.00 41.96 41.75 2bgr s TYR 256 CO 0.35 -0.41 0.77 -1.25 0.64 0.00 0.00 175.55 175.65 2bgr s PRO 257 N 2.30 3.60 0.76 4.97 0.04 -1.26 -4.53 135.00 140.87 2bgr s PRO 257 Ca 0.04 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.08 2bgr s PRO 257 Cb -0.14 -3.86 0.05 0.00 0.04 0.00 0.00 34.50 30.59 2bgr s PRO 257 CO -0.08 -0.95 1.11 0.15 0.04 0.00 0.00 177.00 177.27 2bgr s LYS 258 N 3.15 2.39 -0.03 4.56 1.02 -1.26 -0.81 119.74 128.76 2bgr s LYS 258 Ca 0.30 0.45 -0.36 0.00 0.02 0.00 0.00 55.97 56.38 2bgr s LYS 258 Cb -0.13 -1.97 -0.14 0.00 -0.52 0.00 0.00 37.83 35.07 2bgr s LYS 258 CO 0.19 -1.36 1.66 0.00 -0.92 0.00 0.00 175.35 174.92 2bgr n ALA 259 N -3.22 0.35 -0.18 5.17 0.00 -0.27 -0.65 120.51 121.71 2bgr n ALA 259 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2bgr n ALA 259 Cb 0.58 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2bgr n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bgr n GLY 260 N 3.71 1.61 3.93 0.00 0.00 -1.26 -4.85 105.19 108.33 2bgr n GLY 260 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2bgr n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bgr s ALA 261 N -2.82 2.65 0.10 4.61 0.00 0.18 -4.99 121.76 121.48 2bgr s ALA 261 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.52 2bgr s ALA 261 Cb 0.00 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 2bgr s ALA 261 CO 0.00 -2.00 1.38 0.08 0.00 0.00 0.00 175.76 175.22 2bgr s VAL 262 N -3.64 3.40 0.39 0.00 1.01 -1.26 -4.90 120.40 115.41 2bgr s VAL 262 Ca 0.69 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 2bgr s VAL 262 Cb -0.06 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2bgr s VAL 262 CO 0.50 0.07 0.62 0.20 0.00 0.00 0.00 175.10 176.48 2bgr s ASN 263 N 1.23 6.16 0.73 3.32 0.01 -1.26 -4.43 114.94 120.70 2bgr s ASN 263 Ca 0.64 0.47 -0.14 0.00 -0.71 0.00 0.00 52.86 53.12 2bgr s ASN 263 Cb -0.36 -1.93 0.04 0.00 0.41 0.00 0.00 41.25 39.42 2bgr s ASN 263 CO 0.30 -0.45 1.17 -2.16 -1.51 0.00 0.00 177.10 174.45 2bgr s PRO 264 N -4.44 2.20 0.30 -0.60 0.04 -1.26 -4.79 135.00 126.45 2bgr s PRO 264 Ca 0.43 1.60 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2bgr s PRO 264 Cb -0.10 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2bgr s PRO 264 CO 0.38 -1.75 0.18 0.95 0.04 0.00 0.00 177.00 176.79 2bgr s THR 265 N -2.21 3.68 0.01 1.26 -4.23 -0.74 -4.93 115.64 108.48 2bgr s THR 265 Ca 0.71 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2bgr s THR 265 Cb -0.25 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.43 2bgr s THR 265 CO 0.46 -0.26 -0.04 0.54 -0.54 0.00 0.00 174.62 174.77 2bgr s VAL 266 N -2.29 0.30 0.08 2.29 0.11 -1.26 -1.26 120.40 118.37 2bgr s VAL 266 Ca 0.36 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2bgr s VAL 266 Cb -0.06 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2bgr s VAL 266 CO 0.24 -0.18 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.21 2bgr s LYS 267 N -0.79 0.73 -0.03 1.54 1.02 -0.51 -5.00 119.74 116.71 2bgr s LYS 267 Ca -0.06 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 54.87 2bgr s LYS 267 Cb -0.06 -0.29 -0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2bgr s LYS 267 CO -0.00 0.02 -0.13 0.12 -0.92 0.00 0.00 175.35 174.44 2bgr s PHE 268 N -2.64 1.28 0.04 3.18 5.36 -1.26 -0.78 117.98 123.16 2bgr s PHE 268 Ca 0.03 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.68 2bgr s PHE 268 Cb -0.01 -0.86 -0.03 0.00 -0.34 0.00 0.00 43.02 41.77 2bgr s PHE 268 CO -0.02 -0.09 -0.03 -0.06 -1.46 0.00 0.00 175.22 173.55 2bgr s PHE 269 N -0.02 0.43 -0.04 10.12 0.40 -0.13 -1.61 117.98 127.14 2bgr s PHE 269 Ca -0.01 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.52 2bgr s PHE 269 Cb -0.08 -0.31 0.01 0.00 0.51 0.00 0.00 43.02 43.14 2bgr s PHE 269 CO 0.01 -0.28 -0.08 0.08 0.70 0.00 0.00 175.22 175.64 2bgr s VAL 270 N -2.83 0.73 -0.02 -0.44 1.01 0.76 -0.89 120.40 118.72 2bgr s VAL 270 Ca -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2bgr s VAL 270 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2bgr s VAL 270 CO -0.06 0.25 -0.21 0.54 0.00 0.00 0.00 175.10 175.62 2bgr s VAL 271 N 0.50 1.66 -0.43 2.92 0.11 -0.56 -0.41 120.40 124.19 2bgr s VAL 271 Ca -0.08 -0.89 -0.25 0.00 -2.93 0.00 0.00 61.98 57.83 2bgr s VAL 271 Cb -0.11 -1.39 0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2bgr s VAL 271 CO 0.01 0.47 0.89 0.21 -3.33 0.00 0.00 175.10 173.35 2bgr s ASN 272 N -0.42 6.53 0.00 3.54 3.04 -1.26 -1.22 114.94 125.15 2bgr s ASN 272 Ca 0.06 0.22 0.27 0.00 0.04 0.00 0.00 52.86 53.46 2bgr s ASN 272 Cb -0.09 -2.44 1.24 0.00 -1.54 0.00 0.00 41.25 38.43 2bgr s ASN 272 CO -0.00 -0.95 1.90 0.35 -3.04 0.00 0.00 177.10 175.35 2bgr n THR 273 N 6.21 0.13 1.27 -5.21 -2.24 0.14 -3.22 114.28 111.36 2bgr n THR 273 Ca 0.05 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 2bgr n THR 273 Cb 0.48 -0.57 0.48 0.00 -2.10 0.00 0.00 70.33 68.62 2bgr n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bgr n ASP 274 N -1.42 0.64 -1.15 3.42 8.00 -1.25 -4.09 116.55 120.70 2bgr n ASP 274 Ca 0.09 -0.57 0.03 0.00 0.71 0.00 0.00 54.79 55.05 2bgr n ASP 274 Cb 0.28 0.02 0.12 0.00 -0.02 0.00 0.00 41.12 41.52 2bgr n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2bgr n SER 275 N -0.96 1.69 -4.79 -2.24 3.41 -1.20 -5.06 113.62 104.48 2bgr n SER 275 Ca 0.12 -3.12 -0.35 0.00 -0.26 0.00 0.00 58.87 55.26 2bgr n SER 275 Cb 0.31 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 2bgr n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bgr s LEU 276 N -2.14 4.03 0.01 1.04 1.43 -1.26 -5.02 118.68 116.78 2bgr s LEU 276 Ca 0.37 1.98 0.07 0.00 -1.03 0.00 0.00 54.13 55.52 2bgr s LEU 276 Cb 0.38 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 2bgr s LEU 276 CO -0.10 -0.58 -0.20 -0.55 0.23 0.00 0.00 176.35 175.15 2bgr s SER 277 N -1.74 2.36 0.35 2.29 0.15 -1.26 -5.01 113.70 110.84 2bgr s SER 277 Ca 0.61 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.09 2bgr s SER 277 Cb -0.19 -0.23 0.77 0.00 -1.71 0.00 0.00 66.02 64.66 2bgr s SER 277 CO 0.24 0.20 1.75 0.28 1.20 0.00 0.00 173.24 176.91 2bgr h SER 278 N 5.31 0.00 0.24 5.45 0.02 -2.00 -3.33 113.55 119.23 2bgr h SER 278 Ca -0.40 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.32 2bgr h SER 278 Cb 1.15 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2bgr h SER 278 CO 0.46 0.00 -1.98 0.52 -1.14 0.00 0.00 176.83 174.70 2bgr n VAL 279 N -2.69 1.04 -4.19 2.27 0.31 -1.26 -4.97 118.33 108.85 2bgr n VAL 279 Ca 0.04 -0.73 -0.16 0.00 -0.01 0.00 0.00 64.34 63.48 2bgr n VAL 279 Cb 0.41 -0.48 -0.11 0.00 -0.91 0.00 0.00 33.84 32.75 2bgr n VAL 279 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2bgr s THR 280 N -2.85 1.06 0.61 2.52 -4.23 -1.25 -5.14 115.64 106.37 2bgr s THR 280 Ca -0.07 -1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 58.68 2bgr s THR 280 Cb 0.09 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 2bgr s THR 280 CO 0.84 -0.46 1.11 0.20 -0.54 0.00 0.00 174.62 175.77 2bgr s ASN 281 N -2.32 5.39 0.39 3.99 0.01 -1.26 -4.31 114.94 116.83 2bgr s ASN 281 Ca 0.05 2.05 -0.22 0.00 -0.71 0.00 0.00 52.86 54.03 2bgr s ASN 281 Cb -0.05 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.95 2bgr s ASN 281 CO 0.01 -1.44 0.93 0.00 -1.51 0.00 0.00 177.10 175.09 2bgr s ALA 282 N -2.14 3.11 -0.30 0.60 0.00 -1.26 -4.94 121.76 116.84 2bgr s ALA 282 Ca 0.69 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 2bgr s ALA 282 Cb -0.21 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2bgr s ALA 282 CO 0.36 0.16 0.18 0.99 0.00 0.00 0.00 175.76 177.44 2bgr s THR 283 N -1.99 4.99 -0.12 0.00 2.01 -1.26 -5.02 115.64 114.25 2bgr s THR 283 Ca 0.58 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2bgr s THR 283 Cb -0.12 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 2bgr s THR 283 CO 0.16 0.16 0.27 -0.44 -0.69 0.00 0.00 174.62 174.08 2bgr s SER 284 N 1.70 6.49 -0.18 3.53 0.01 -1.26 -4.52 113.70 119.46 2bgr s SER 284 Ca 0.06 0.57 -0.14 0.00 1.31 0.00 0.00 55.95 57.75 2bgr s SER 284 Cb -0.16 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2bgr s SER 284 CO 0.09 0.22 0.32 -0.63 0.41 0.00 0.00 173.24 173.65 2bgr s ILE 285 N -0.21 5.28 0.07 1.44 -1.09 0.45 -4.88 121.20 122.25 2bgr s ILE 285 Ca 0.17 0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 58.96 2bgr s ILE 285 Cb -0.13 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2bgr s ILE 285 CO 0.05 0.34 0.59 -1.58 -1.23 0.00 0.00 174.94 173.12 2bgr s GLN 286 N 0.76 4.25 -0.27 2.79 0.74 -1.26 -0.17 119.66 126.50 2bgr s GLN 286 Ca 0.17 0.77 -0.05 0.00 0.05 0.00 0.00 55.36 56.29 2bgr s GLN 286 Cb -0.14 -3.26 0.01 0.00 1.10 0.00 0.00 33.01 30.72 2bgr s GLN 286 CO 0.05 0.59 0.03 0.42 -0.55 0.00 0.00 175.29 175.83 2bgr s ILE 287 N -0.94 3.68 0.47 -2.34 1.01 -0.63 -4.89 121.20 117.56 2bgr s ILE 287 Ca 0.30 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2bgr s ILE 287 Cb -0.20 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 2bgr s ILE 287 CO 0.19 0.17 0.83 0.42 0.00 0.00 0.00 174.94 176.55 2bgr s THR 288 N 1.47 4.80 0.65 2.92 -4.23 -1.26 -4.24 115.64 115.75 2bgr s THR 288 Ca 0.03 0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 2bgr s THR 288 Cb -0.17 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 69.87 2bgr s THR 288 CO 0.00 -0.74 1.06 0.00 -0.54 0.00 0.00 174.62 174.40 2bgr s ALA 289 N -2.64 2.67 0.84 3.99 0.00 -1.26 -5.01 121.76 120.35 2bgr s ALA 289 Ca 0.51 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 2bgr s ALA 289 Cb -0.10 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 19.90 2bgr s ALA 289 CO 0.39 -1.06 1.16 -1.25 0.00 0.00 0.00 175.76 175.00 2bgr s PRO 290 N -4.52 1.52 0.33 0.00 0.04 -1.26 -4.71 135.00 126.39 2bgr s PRO 290 Ca 0.61 1.55 0.06 0.00 0.04 0.00 0.00 61.00 63.26 2bgr s PRO 290 Cb -0.15 -1.78 0.58 0.00 0.04 0.00 0.00 34.50 33.19 2bgr s PRO 290 CO 0.46 -2.26 1.83 0.00 0.04 0.00 0.00 177.00 177.06 2bgr h ALA 291 N -1.32 1.31 0.00 8.56 0.00 -1.98 -0.35 119.26 125.47 2bgr h ALA 291 Ca -0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2bgr h ALA 291 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bgr h ALA 291 CO 0.45 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.83 2bgr h SER 292 N 0.37 0.00 0.06 0.00 4.64 -2.02 -2.26 113.55 114.35 2bgr h SER 292 Ca 0.07 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.04 2bgr h SER 292 Cb 0.49 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 2bgr h SER 292 CO 0.03 0.00 -1.97 0.23 -0.87 0.00 0.00 176.83 174.25 2bgr n MET 293 N -2.76 0.68 0.32 4.77 2.00 -0.25 -4.45 117.12 117.44 2bgr n MET 293 Ca -0.01 0.31 0.19 0.00 0.00 0.00 0.00 57.70 58.19 2bgr n MET 293 Cb 0.11 -1.66 1.06 0.00 0.00 0.00 0.00 33.22 32.73 2bgr n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2bgr h LEU 294 N -0.28 0.00 -2.18 4.03 3.38 -0.92 -2.69 115.31 116.65 2bgr h LEU 294 Ca -0.46 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.56 2bgr h LEU 294 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2bgr h LEU 294 CO -0.06 0.00 0.27 0.16 0.09 0.00 0.00 178.44 178.91 2bgr h ILE 295 N 0.00 0.32 -1.72 1.22 3.07 -1.63 -3.46 117.51 115.31 2bgr h ILE 295 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2bgr h ILE 295 Cb 0.02 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 37.34 2bgr h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2bgr n GLY 296 N -1.37 2.27 3.73 0.16 0.00 -1.01 -5.14 105.19 103.83 2bgr n GLY 296 Ca 0.02 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2bgr n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bgr n ASP 297 N -0.72 3.30 -3.69 1.61 9.92 -1.26 -4.95 116.55 120.76 2bgr n ASP 297 Ca 0.00 1.21 -0.09 0.00 -0.53 0.00 0.00 54.79 55.38 2bgr n ASP 297 Cb 0.00 -1.55 -0.03 0.00 -0.64 0.00 0.00 41.12 38.90 2bgr n ASP 297 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2bgr s HIS 298 N -0.97 0.27 0.08 1.24 -3.43 -1.26 -1.72 115.29 109.50 2bgr s HIS 298 Ca 0.56 -0.69 0.06 0.00 -0.80 0.00 0.00 55.06 54.19 2bgr s HIS 298 Cb -0.53 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.99 2bgr s HIS 298 CO 0.61 -1.17 -0.16 0.71 -2.00 0.00 0.00 174.74 172.73 2bgr s TYR 299 N -3.59 1.41 -0.13 0.38 2.02 0.50 -4.85 117.35 113.09 2bgr s TYR 299 Ca 0.19 -0.43 -0.22 0.00 -0.37 0.00 0.00 57.07 56.24 2bgr s TYR 299 Cb -0.03 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 2bgr s TYR 299 CO 0.10 0.10 0.65 -1.17 -1.57 0.00 0.00 175.55 173.66 2bgr s LEU 300 N -1.71 4.24 0.00 -1.29 2.96 -1.26 -0.86 118.68 120.76 2bgr s LEU 300 Ca 0.01 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 2bgr s LEU 300 Cb -0.10 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2bgr s LEU 300 CO 0.03 -0.17 0.00 0.00 -1.32 0.00 0.00 176.35 174.89 2bgr s ASP 302 N -0.88 -0.74 -0.07 0.00 -1.08 -1.18 -4.89 116.67 107.84 2bgr s ASP 302 Ca 0.00 1.40 -0.01 0.00 -0.52 0.00 0.00 52.55 53.42 2bgr s ASP 302 Cb 0.00 1.41 0.03 0.00 -1.46 0.00 0.00 42.92 42.89 2bgr s ASP 302 CO 0.00 -0.24 -0.02 -0.69 0.52 0.00 0.00 175.17 174.74 2bgr s VAL 303 N 0.47 0.52 -0.07 1.11 1.01 -1.26 -1.29 120.40 120.89 2bgr s VAL 303 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 2bgr s VAL 303 Cb -0.05 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.75 2bgr s VAL 303 CO -0.01 0.27 0.08 -0.89 0.00 0.00 0.00 175.10 174.55 2bgr s THR 304 N 1.63 -0.14 0.20 3.92 2.01 -0.47 -5.03 115.64 117.76 2bgr s THR 304 Ca 0.00 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2bgr s THR 304 Cb -0.13 -0.24 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 2bgr s THR 304 CO -0.04 0.11 1.26 0.26 -0.69 0.00 0.00 174.62 175.51 2bgr s TRP 305 N 2.19 3.33 -0.22 4.92 0.52 -1.26 -0.82 118.94 127.59 2bgr s TRP 305 Ca 0.04 1.33 -0.09 0.00 0.02 0.00 0.00 56.10 57.40 2bgr s TRP 305 Cb -0.13 -3.53 -0.18 0.00 -1.15 0.00 0.00 33.47 28.49 2bgr s TRP 305 CO -0.04 -1.56 -0.04 0.00 0.02 0.00 0.00 176.95 175.32 2bgr n ALA 306 N 2.45 1.12 -3.34 0.98 0.00 0.64 -4.90 120.51 117.46 2bgr n ALA 306 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 53.44 52.56 2bgr n ALA 306 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 2bgr n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bgr n THR 307 N -3.81 0.00 0.29 0.00 -2.24 -0.92 -4.56 114.28 103.04 2bgr n THR 307 Ca -0.43 -0.64 0.16 0.00 -2.27 0.00 0.00 64.05 60.87 2bgr n THR 307 Cb 0.92 0.34 0.89 0.00 -2.10 0.00 0.00 70.33 70.37 2bgr n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2bgr h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.14 115.11 110.30 2bgr h GLN 308 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2bgr h GLN 308 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2bgr h GLN 308 CO 0.10 0.05 -0.23 0.39 -0.95 0.00 0.00 178.83 178.19 2bgr n GLU 309 N -3.46 0.69 -4.05 1.46 1.02 -1.26 -4.88 120.64 110.16 2bgr n GLU 309 Ca -0.02 -1.50 -0.20 0.00 -0.02 0.00 0.00 57.16 55.42 2bgr n GLU 309 Cb 0.18 -0.87 -0.17 0.00 -0.02 0.00 0.00 31.44 30.56 2bgr n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2bgr s ARG 310 N -1.03 0.70 -0.00 3.49 3.52 -1.19 -1.23 118.95 123.21 2bgr s ARG 310 Ca 0.10 -0.04 0.06 0.00 -0.13 0.00 0.00 55.73 55.73 2bgr s ARG 310 Cb 0.09 -0.81 -0.02 0.00 -1.56 0.00 0.00 34.95 32.66 2bgr s ARG 310 CO 0.01 -0.13 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.68 2bgr s ILE 311 N 1.14 1.48 -0.09 4.11 2.07 0.45 -0.26 121.20 130.10 2bgr s ILE 311 Ca -0.08 -0.86 -0.01 0.00 -1.41 0.00 0.00 60.65 58.30 2bgr s ILE 311 Cb -0.14 -1.24 -0.03 0.00 0.13 0.00 0.00 42.46 41.18 2bgr s ILE 311 CO -0.01 0.37 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.41 2bgr s SER 312 N -0.56 4.89 -0.04 4.50 1.04 0.00 0.01 113.70 123.55 2bgr s SER 312 Ca 0.07 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.57 2bgr s SER 312 Cb -0.07 -1.36 -0.00 0.00 0.10 0.00 0.00 66.02 64.69 2bgr s SER 312 CO -0.00 0.35 -0.14 -0.76 0.98 0.00 0.00 173.24 173.66 2bgr s LEU 313 N -0.69 1.87 -0.11 2.42 1.02 -0.75 -1.37 118.68 121.07 2bgr s LEU 313 Ca 0.11 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 53.95 2bgr s LEU 313 Cb -0.11 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 2bgr s LEU 313 CO 0.02 0.12 -0.04 -1.10 0.02 0.00 0.00 176.35 175.37 2bgr s GLN 314 N 0.08 3.16 0.14 1.70 -0.21 -0.41 -1.29 119.66 122.83 2bgr s GLN 314 Ca -0.03 -0.50 0.09 0.00 0.02 0.00 0.00 55.36 54.94 2bgr s GLN 314 Cb -0.10 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2bgr s GLN 314 CO 0.01 0.52 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.98 2bgr s TRP 315 N -0.39 2.58 -0.05 0.91 0.52 0.24 -0.42 118.94 122.34 2bgr s TRP 315 Ca 0.06 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2bgr s TRP 315 Cb -0.12 -1.32 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 2bgr s TRP 315 CO 0.02 0.45 -0.03 -1.17 0.02 0.00 0.00 176.95 176.24 2bgr s LEU 316 N -2.45 1.18 0.72 2.99 2.96 -0.04 -1.14 118.68 122.90 2bgr s LEU 316 Ca 0.21 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.87 2bgr s LEU 316 Cb -0.10 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.21 2bgr s LEU 316 CO 0.12 -0.09 1.17 -0.13 -1.32 0.00 0.00 176.35 176.10 2bgr s ARG 317 N 1.12 2.30 0.42 1.98 0.52 -0.74 -0.37 118.95 124.17 2bgr s ARG 317 Ca -0.08 1.60 0.09 0.00 -0.52 0.00 0.00 55.73 56.82 2bgr s ARG 317 Cb -0.14 -1.87 0.93 0.00 0.52 0.00 0.00 34.95 34.39 2bgr s ARG 317 CO -0.01 -1.68 2.05 -0.09 0.02 0.00 0.00 175.30 175.59 2bgr h ARG 318 N -0.31 0.47 -6.04 3.54 2.43 -1.66 -3.20 114.38 109.62 2bgr h ARG 318 Ca -0.47 -0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.09 2bgr h ARG 318 Cb 1.27 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.61 2bgr h ARG 318 CO 0.51 0.31 0.75 0.42 -1.51 0.00 0.00 179.97 180.44 2bgr s ILE 319 N -5.44 4.17 -0.15 1.20 -1.09 -1.26 -4.82 121.20 113.80 2bgr s ILE 319 Ca -0.08 0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2bgr s ILE 319 Cb 0.18 -4.68 0.11 0.00 -1.58 0.00 0.00 42.46 36.49 2bgr s ILE 319 CO 0.73 -1.36 1.93 0.00 -1.23 0.00 0.00 174.94 175.01 2bgr n GLN 320 N 8.08 1.39 -0.21 2.79 6.02 -1.21 -3.78 117.38 130.46 2bgr n GLN 320 Ca 0.03 -0.77 0.08 0.00 -0.01 0.00 0.00 57.00 56.33 2bgr n GLN 320 Cb 0.48 -1.30 0.16 0.00 1.02 0.00 0.00 30.24 30.60 2bgr n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2bgr n ASN 321 N 0.85 2.92 -3.69 1.08 0.23 -1.26 -1.50 115.26 113.89 2bgr n ASN 321 Ca 0.15 -2.78 -0.13 0.00 -0.53 0.00 0.00 54.58 51.28 2bgr n ASN 321 Cb 0.56 -0.39 -0.13 0.00 -2.08 0.00 0.00 39.78 37.74 2bgr n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2bgr s TYR 322 N -2.37 -0.35 0.02 -2.53 6.14 -1.25 -1.88 117.35 115.12 2bgr s TYR 322 Ca 0.30 0.85 0.03 0.00 0.64 0.00 0.00 57.07 58.89 2bgr s TYR 322 Cb 0.24 -0.03 -0.01 0.00 0.42 0.00 0.00 41.96 42.58 2bgr s TYR 322 CO 0.06 -0.29 -0.10 0.45 0.64 0.00 0.00 175.55 176.31 2bgr s SER 323 N 1.91 1.11 -0.05 4.32 0.15 0.47 -1.80 113.70 119.82 2bgr s SER 323 Ca -0.03 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.34 2bgr s SER 323 Cb -0.11 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 2bgr s SER 323 CO -0.08 0.02 -0.12 -0.69 1.20 0.00 0.00 173.24 173.57 2bgr s VAL 324 N -0.60 1.06 -0.21 4.45 1.01 -0.29 -0.82 120.40 125.00 2bgr s VAL 324 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2bgr s VAL 324 Cb -0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 2bgr s VAL 324 CO 0.00 0.33 0.12 -0.32 0.00 0.00 0.00 175.10 175.24 2bgr s MET 325 N 0.44 4.09 -0.03 2.72 1.75 0.06 -0.59 119.30 127.73 2bgr s MET 325 Ca -0.09 -0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.07 2bgr s MET 325 Cb -0.13 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 2bgr s MET 325 CO 0.02 0.20 0.03 -0.51 -0.65 0.00 0.00 175.02 174.11 2bgr s ASP 326 N 0.64 5.35 -0.21 1.11 1.01 -0.41 -1.33 116.67 122.82 2bgr s ASP 326 Ca 0.07 0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.44 2bgr s ASP 326 Cb -0.12 -1.48 0.04 0.00 1.01 0.00 0.00 42.92 42.36 2bgr s ASP 326 CO 0.01 0.31 -0.15 -0.63 0.21 0.00 0.00 175.17 174.92 2bgr s ILE 327 N -1.05 2.00 -0.11 0.77 1.01 -1.26 -1.81 121.20 120.75 2bgr s ILE 327 Ca 0.18 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2bgr s ILE 327 Cb -0.12 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2bgr s ILE 327 CO 0.09 0.30 -0.17 0.00 0.00 0.00 0.00 174.94 175.15 2bgr s ASP 329 N 0.17 4.10 0.24 0.00 1.11 -0.21 -0.41 116.67 121.67 2bgr s ASP 329 Ca -0.09 -0.24 -0.30 0.00 0.18 0.00 0.00 52.55 52.09 2bgr s ASP 329 Cb -0.16 -1.28 -0.10 0.00 1.07 0.00 0.00 42.92 42.46 2bgr s ASP 329 CO 0.06 0.25 1.42 -0.47 1.18 0.00 0.00 175.17 177.61 2bgr s TYR 330 N -0.17 3.06 -0.38 4.23 5.04 -0.37 -1.39 117.35 127.38 2bgr s TYR 330 Ca 0.00 1.06 -0.06 0.00 -2.44 0.00 0.00 57.07 55.64 2bgr s TYR 330 Cb -0.13 -3.78 0.07 0.00 0.35 0.00 0.00 41.96 38.47 2bgr s TYR 330 CO 0.03 -2.52 0.17 0.34 -1.34 0.00 0.00 175.55 172.23 2bgr s ASP 331 N 0.35 5.34 0.44 4.32 2.15 0.82 -4.95 116.67 125.13 2bgr s ASP 331 Ca 0.59 -1.52 0.20 0.00 0.43 0.00 0.00 52.55 52.24 2bgr s ASP 331 Cb -0.41 -1.87 1.02 0.00 -0.30 0.00 0.00 42.92 41.36 2bgr s ASP 331 CO 0.42 -0.45 1.91 -0.08 -0.17 0.00 0.00 175.17 176.81 2bgr h GLU 332 N 8.20 0.00 0.00 4.34 4.81 -1.95 0.55 114.58 130.53 2bgr h GLU 332 Ca -0.20 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.83 2bgr h GLU 332 Cb 1.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 2bgr h GLU 332 CO 0.67 0.25 -0.99 0.66 -0.73 0.00 0.00 179.01 178.88 2bgr h SER 333 N 0.00 0.00 0.00 1.04 4.64 -1.96 -3.31 113.55 113.96 2bgr h SER 333 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bgr h SER 333 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2bgr h SER 333 CO 0.03 0.92 -1.67 -1.54 -0.87 0.00 0.00 176.83 173.70 2bgr n SER 334 N -3.30 0.36 -1.02 4.97 3.41 -1.02 -4.98 113.62 112.03 2bgr n SER 334 Ca -0.01 -0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.16 2bgr n SER 334 Cb 0.92 1.68 -0.05 0.00 -0.26 0.00 0.00 64.21 66.49 2bgr n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bgr n GLY 335 N 1.35 1.30 3.69 5.00 0.00 0.19 -5.01 105.19 111.71 2bgr n GLY 335 Ca -0.02 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2bgr n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bgr s ARG 336 N -3.18 2.10 -0.22 1.61 0.52 -1.15 -4.90 118.95 113.74 2bgr s ARG 336 Ca 0.00 -2.00 -0.02 0.00 -0.52 0.00 0.00 55.73 53.19 2bgr s ARG 336 Cb 0.00 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.67 2bgr s ARG 336 CO 0.00 -0.11 -0.08 -1.58 0.02 0.00 0.00 175.30 173.54 2bgr s TRP 337 N -2.67 2.94 -0.09 -0.53 0.52 -1.26 -0.13 118.94 117.72 2bgr s TRP 337 Ca 0.36 -1.23 0.02 0.00 0.02 0.00 0.00 56.10 55.28 2bgr s TRP 337 Cb 0.06 -2.05 -0.02 0.00 -1.15 0.00 0.00 33.47 30.31 2bgr s TRP 337 CO 0.19 -0.65 -0.15 -0.80 0.02 0.00 0.00 176.95 175.57 2bgr s ASN 338 N 1.40 3.91 -0.47 2.95 0.02 -0.48 -4.89 114.94 117.39 2bgr s ASN 338 Ca 0.05 -0.30 -0.01 0.00 -1.02 0.00 0.00 52.86 51.58 2bgr s ASN 338 Cb -0.14 -1.23 0.13 0.00 0.02 0.00 0.00 41.25 40.02 2bgr s ASN 338 CO -0.06 0.24 0.26 0.00 0.02 0.00 0.00 177.10 177.56 2bgr s LEU 340 N 0.62 4.37 0.44 0.00 1.43 -1.26 -4.91 118.68 119.37 2bgr s LEU 340 Ca 0.12 2.81 0.11 0.00 -1.03 0.00 0.00 54.13 56.13 2bgr s LEU 340 Cb -0.22 -3.61 0.96 0.00 0.03 0.00 0.00 46.19 43.35 2bgr s LEU 340 CO -0.04 -0.90 2.04 0.58 0.23 0.00 0.00 176.35 178.26 2bgr h VAL 341 N 3.74 1.10 0.00 -1.59 2.07 -1.98 0.14 116.25 119.72 2bgr h VAL 341 Ca -0.44 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2bgr h VAL 341 Cb 1.21 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2bgr h VAL 341 CO 0.89 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.60 2bgr h ALA 342 N 1.79 1.00 -0.57 1.67 0.00 -1.96 -2.47 119.26 118.72 2bgr h ALA 342 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bgr h ALA 342 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bgr h ALA 342 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2bgr n ARG 343 N -2.45 3.59 -3.03 0.00 1.74 0.47 -4.45 116.66 112.53 2bgr n ARG 343 Ca -0.00 -2.80 -0.39 0.00 -0.77 0.00 0.00 57.85 53.89 2bgr n ARG 343 Cb 0.12 -1.83 -0.06 0.00 -1.02 0.00 0.00 32.46 29.67 2bgr n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2bgr s GLN 344 N -1.89 4.47 -0.14 5.56 0.74 -0.93 -4.10 119.66 123.37 2bgr s GLN 344 Ca 0.47 1.06 -0.01 0.00 0.05 0.00 0.00 55.36 56.94 2bgr s GLN 344 Cb 0.31 -3.16 0.03 0.00 1.10 0.00 0.00 33.01 31.30 2bgr s GLN 344 CO 0.22 0.53 -0.05 -1.01 -0.55 0.00 0.00 175.29 174.42 2bgr s HIS 345 N -1.25 1.48 -0.01 1.67 3.76 -0.44 -4.92 115.29 115.58 2bgr s HIS 345 Ca 0.37 -0.84 -0.09 0.00 -0.15 0.00 0.00 55.06 54.36 2bgr s HIS 345 Cb -0.21 -1.22 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 2bgr s HIS 345 CO 0.24 -0.55 0.28 0.42 -0.85 0.00 0.00 174.74 174.29 2bgr s ILE 346 N 1.71 5.27 -0.06 0.60 1.01 -1.26 -0.76 121.20 127.70 2bgr s ILE 346 Ca 0.03 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2bgr s ILE 346 Cb -0.14 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2bgr s ILE 346 CO -0.08 0.45 -0.01 -0.70 0.00 0.00 0.00 174.94 174.61 2bgr s GLU 347 N -1.49 0.63 0.11 2.79 2.12 0.00 -5.01 118.70 117.85 2bgr s GLU 347 Ca 0.25 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.64 2bgr s GLU 347 Cb -0.14 -0.92 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 2bgr s GLU 347 CO 0.13 -0.26 0.03 0.00 -0.54 0.00 0.00 175.26 174.62 2bgr s MET 348 N 1.74 0.85 -0.06 4.30 0.23 -1.26 -0.39 119.30 124.70 2bgr s MET 348 Ca 0.01 -1.39 0.02 0.00 -1.03 0.00 0.00 55.69 53.31 2bgr s MET 348 Cb -0.13 0.19 0.02 0.00 -1.53 0.00 0.00 34.83 33.38 2bgr s MET 348 CO -0.04 -0.21 -0.10 0.45 -2.03 0.00 0.00 175.02 173.09 2bgr s SER 349 N -3.02 1.57 0.24 -1.18 0.15 -0.79 -5.00 113.70 105.67 2bgr s SER 349 Ca 0.19 -0.25 0.23 0.00 0.70 0.00 0.00 55.95 56.82 2bgr s SER 349 Cb 0.07 -0.72 0.05 0.00 -1.71 0.00 0.00 66.02 63.71 2bgr s SER 349 CO -0.01 0.00 1.12 0.71 1.20 0.00 0.00 173.24 176.26 2bgr h THR 350 N 6.03 0.00 0.00 6.45 1.35 -1.94 -3.39 112.91 121.40 2bgr h THR 350 Ca -0.33 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2bgr h THR 350 Cb 1.17 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2bgr h THR 350 CO 0.47 0.00 -1.67 0.35 -0.25 0.00 0.00 175.52 174.42 2bgr n THR 351 N -2.73 0.00 -0.00 6.82 -2.24 -1.26 -5.08 114.28 109.79 2bgr n THR 351 Ca 0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2bgr n THR 351 Cb 0.55 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2bgr n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bgr n GLY 352 N 1.52 3.15 4.01 3.38 0.00 -1.26 -4.82 105.19 111.17 2bgr n GLY 352 Ca -0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 2bgr n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2bgr s TRP 353 N 0.20 2.29 -0.20 1.61 -2.14 -1.26 -4.59 118.94 114.86 2bgr s TRP 353 Ca 0.00 -0.45 -0.15 0.00 2.66 0.00 0.00 56.10 58.16 2bgr s TRP 353 Cb 0.00 -2.41 -0.04 0.00 -3.10 0.00 0.00 33.47 27.92 2bgr s TRP 353 CO 0.00 -0.79 0.38 0.08 -2.66 0.00 0.00 176.95 173.96 2bgr s VAL 354 N -2.55 5.22 0.00 -0.66 1.01 -0.56 -4.77 120.40 118.09 2bgr s VAL 354 Ca 0.58 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2bgr s VAL 354 Cb -0.08 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2bgr s VAL 354 CO 0.36 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2bgr n GLY 355 N 3.86 -1.88 0.29 4.51 0.00 -1.26 -3.38 105.19 107.33 2bgr n GLY 355 Ca -0.09 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 2bgr n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bgr h ARG 356 N 0.00 -0.65 0.00 1.61 3.08 -1.95 -3.39 114.38 113.09 2bgr h ARG 356 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2bgr h ARG 356 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2bgr h ARG 356 CO 0.00 -0.39 -0.34 1.19 -1.07 0.00 0.00 179.97 179.36 2bgr n PHE 357 N -5.34 0.00 -3.55 3.04 3.72 -1.26 -4.89 117.46 109.18 2bgr n PHE 357 Ca -0.12 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.21 2bgr n PHE 357 Cb 0.30 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 2bgr n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2bgr s ARG 358 N -1.24 0.81 0.42 -1.08 1.70 -1.25 -5.04 118.95 113.26 2bgr s ARG 358 Ca 0.00 -0.33 -0.24 0.00 -0.47 0.00 0.00 55.73 54.69 2bgr s ARG 358 Cb 0.00 0.35 -0.11 0.00 -0.57 0.00 0.00 34.95 34.63 2bgr s ARG 358 CO 0.00 -0.36 1.02 -2.30 -1.08 0.00 0.00 175.30 172.58 2bgr n PRO 359 N -0.27 1.36 -1.55 3.89 -0.02 -1.22 -4.25 135.00 132.95 2bgr n PRO 359 Ca -0.07 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 2bgr n PRO 359 Cb 0.61 -2.05 0.07 0.00 -0.02 0.00 0.00 33.50 32.11 2bgr n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2bgr s SER 360 N -0.73 4.96 0.11 2.55 1.04 -1.26 -4.95 113.70 115.41 2bgr s SER 360 Ca 0.63 1.49 -0.22 0.00 0.48 0.00 0.00 55.95 58.34 2bgr s SER 360 Cb -0.56 -2.30 -0.07 0.00 0.10 0.00 0.00 66.02 63.19 2bgr s SER 360 CO 0.57 -1.70 0.66 -1.83 0.98 0.00 0.00 173.24 171.92 2bgr s GLU 361 N -5.08 4.36 0.40 4.02 1.03 -1.26 -4.96 118.70 117.20 2bgr s GLU 361 Ca 0.59 0.91 -0.18 0.00 0.03 0.00 0.00 54.97 56.32 2bgr s GLU 361 Cb -0.14 -3.25 -0.10 0.00 -0.80 0.00 0.00 34.13 29.83 2bgr s GLU 361 CO 0.55 0.60 0.88 -1.25 -1.33 0.00 0.00 175.26 174.71 2bgr s PRO 362 N -1.08 4.12 -0.29 -4.83 0.04 -1.26 -4.61 135.00 127.10 2bgr s PRO 362 Ca 0.32 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.34 2bgr s PRO 362 Cb -0.21 -2.26 0.08 0.00 0.04 0.00 0.00 34.50 32.15 2bgr s PRO 362 CO 0.22 0.01 -0.03 -1.01 0.04 0.00 0.00 177.00 176.23 2bgr s HIS 363 N -2.16 3.28 0.31 0.56 3.76 0.47 -4.95 115.29 116.56 2bgr s HIS 363 Ca 0.59 -2.50 -0.21 0.00 -0.15 0.00 0.00 55.06 52.79 2bgr s HIS 363 Cb -0.09 -2.28 -0.09 0.00 1.11 0.00 0.00 32.58 31.22 2bgr s HIS 363 CO 0.16 -0.89 0.83 -0.06 -0.85 0.00 0.00 174.74 173.93 2bgr s PHE 364 N 1.08 3.55 1.04 1.40 0.40 -1.26 -0.77 117.98 123.43 2bgr s PHE 364 Ca 0.01 1.50 -0.15 0.00 -0.60 0.00 0.00 56.93 57.69 2bgr s PHE 364 Cb -0.19 -2.73 0.21 0.00 0.51 0.00 0.00 43.02 40.82 2bgr s PHE 364 CO -0.07 0.17 1.12 0.95 0.70 0.00 0.00 175.22 178.09 2bgr s THR 365 N -1.76 1.88 0.18 0.64 -4.23 -0.85 -4.89 115.64 106.61 2bgr s THR 365 Ca 0.51 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 2bgr s THR 365 Cb -0.15 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.19 2bgr s THR 365 CO 0.20 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.34 2bgr h LEU 366 N -2.02 0.49 0.00 4.79 6.46 -1.92 -0.36 115.31 122.76 2bgr h LEU 366 Ca -0.50 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2bgr h LEU 366 Cb 1.32 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2bgr h LEU 366 CO 0.50 0.35 0.00 -0.90 -0.62 0.00 0.00 178.44 177.77 2bgr n ASP 367 N -4.80 0.00 -0.51 1.25 5.68 -1.26 -4.92 116.55 111.98 2bgr n ASP 367 Ca 0.04 0.27 -0.07 0.00 -0.50 0.00 0.00 54.79 54.54 2bgr n ASP 367 Cb 0.08 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 39.62 2bgr n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bgr n GLY 368 N 0.90 0.84 0.01 6.12 0.00 -0.15 -4.87 105.19 108.04 2bgr n GLY 368 Ca 0.08 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2bgr n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bgr n ASN 369 N -0.09 0.61 -3.82 1.61 5.03 -1.26 -4.90 115.26 112.44 2bgr n ASN 369 Ca -0.07 -0.40 -0.09 0.00 0.87 0.00 0.00 54.58 54.89 2bgr n ASN 369 Cb 0.33 0.37 -0.07 0.00 -1.02 0.00 0.00 39.78 39.39 2bgr n ASN 369 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2bgr s SER 370 N -2.98 0.03 0.11 6.41 1.04 -1.26 -1.44 113.70 115.61 2bgr s SER 370 Ca 0.11 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 2bgr s SER 370 Cb 0.17 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2bgr s SER 370 CO 0.72 -0.78 0.41 0.72 0.98 0.00 0.00 173.24 175.29 2bgr s PHE 371 N -3.86 -0.23 -0.01 5.02 -0.12 -0.36 -2.02 117.98 116.40 2bgr s PHE 371 Ca 0.06 -0.03 0.03 0.00 -0.05 0.00 0.00 56.93 56.94 2bgr s PHE 371 Cb 0.04 0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2bgr s PHE 371 CO -0.10 -0.68 -0.07 0.71 -0.05 0.00 0.00 175.22 175.03 2bgr s TYR 372 N -3.57 2.89 -0.23 3.49 1.51 0.05 -0.48 117.35 121.02 2bgr s TYR 372 Ca 0.01 -0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 55.84 2bgr s TYR 372 Cb 0.01 -1.62 0.06 0.00 -0.11 0.00 0.00 41.96 40.30 2bgr s TYR 372 CO -0.10 0.37 0.61 0.21 -1.11 0.00 0.00 175.55 175.52 2bgr s LYS 373 N -1.32 0.70 -0.06 -0.62 2.20 -0.56 -0.39 119.74 119.69 2bgr s LYS 373 Ca 0.16 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.32 2bgr s LYS 373 Cb -0.11 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 2bgr s LYS 373 CO 0.07 -0.09 1.12 0.42 -0.36 0.00 0.00 175.35 176.51 2bgr s ILE 374 N 0.35 4.45 0.03 5.43 1.01 -1.26 -0.63 121.20 130.57 2bgr s ILE 374 Ca -0.00 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.43 2bgr s ILE 374 Cb -0.04 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2bgr s ILE 374 CO 0.00 0.02 -0.07 -0.63 0.00 0.00 0.00 174.94 174.26 2bgr s ILE 375 N 1.98 0.53 -0.05 2.92 -1.09 -0.41 -4.60 121.20 120.48 2bgr s ILE 375 Ca 0.53 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 2bgr s ILE 375 Cb -0.23 -0.54 -0.04 0.00 -1.58 0.00 0.00 42.46 40.08 2bgr s ILE 375 CO 0.22 -0.19 1.22 -0.55 -1.23 0.00 0.00 174.94 174.41 2bgr s SER 376 N -1.04 7.04 1.00 3.58 0.15 -1.26 -1.52 113.70 121.64 2bgr s SER 376 Ca -0.05 1.84 -0.03 0.00 0.70 0.00 0.00 55.95 58.41 2bgr s SER 376 Cb -0.07 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2bgr s SER 376 CO 0.00 -0.59 0.27 -0.46 1.20 0.00 0.00 173.24 173.66 2bgr n ASN 377 N 5.17 -0.04 0.19 5.45 0.23 0.26 -4.84 115.26 121.68 2bgr n ASN 377 Ca 0.11 -1.07 0.14 0.00 -0.53 0.00 0.00 54.58 53.23 2bgr n ASN 377 Cb 0.46 -0.21 0.56 0.00 -2.08 0.00 0.00 39.78 38.51 2bgr n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2bgr h GLU 378 N 0.00 0.00 -0.44 -3.83 3.07 -1.96 -1.49 114.58 109.93 2bgr h GLU 378 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2bgr h GLU 378 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2bgr h GLU 378 CO 0.06 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.06 2bgr n GLU 379 N -2.63 2.53 -0.66 2.33 1.02 -1.26 -4.97 120.64 117.00 2bgr n GLU 379 Ca 0.02 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 2bgr n GLU 379 Cb 0.28 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2bgr n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bgr n GLY 380 N 1.53 0.65 3.73 0.62 0.00 -0.56 -4.74 105.19 106.42 2bgr n GLY 380 Ca 0.20 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2bgr n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bgr s TYR 381 N -2.00 3.31 -0.21 1.61 1.51 -1.26 -0.25 117.35 120.06 2bgr s TYR 381 Ca 0.00 0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 56.08 2bgr s TYR 381 Cb 0.00 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2bgr s TYR 381 CO 0.00 0.47 0.81 1.03 -1.11 0.00 0.00 175.55 176.75 2bgr s ARG 382 N -0.62 4.23 0.16 -0.62 0.52 -1.26 -0.57 118.95 120.78 2bgr s ARG 382 Ca 0.11 0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 56.25 2bgr s ARG 382 Cb -0.12 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 2bgr s ARG 382 CO 0.02 -0.41 0.07 -1.01 0.02 0.00 0.00 175.30 173.99 2bgr s HIS 383 N 2.47 1.00 -0.12 -0.53 3.76 -0.58 -1.09 115.29 120.20 2bgr s HIS 383 Ca 0.35 -1.24 -0.25 0.00 -0.15 0.00 0.00 55.06 53.78 2bgr s HIS 383 Cb -0.16 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 2bgr s HIS 383 CO 0.10 -0.50 0.80 0.42 -0.85 0.00 0.00 174.74 174.71 2bgr s ILE 384 N -4.01 4.93 -0.05 0.60 1.01 -1.26 -1.29 121.20 121.15 2bgr s ILE 384 Ca 0.28 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.57 2bgr s ILE 384 Cb 0.07 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2bgr s ILE 384 CO 0.05 0.11 -0.12 0.00 0.00 0.00 0.00 174.94 174.99 2bgr s TYR 386 N -0.79 3.13 0.00 0.00 5.04 0.42 -1.49 117.35 123.66 2bgr s TYR 386 Ca 0.12 -0.69 0.01 0.00 -2.44 0.00 0.00 57.07 54.08 2bgr s TYR 386 Cb -0.11 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 2bgr s TYR 386 CO 0.02 -0.47 0.03 -0.06 -1.34 0.00 0.00 175.55 173.72 2bgr s PHE 387 N 1.57 3.13 -0.06 4.97 0.40 0.37 -1.84 117.98 126.52 2bgr s PHE 387 Ca 0.04 0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.44 2bgr s PHE 387 Cb -0.16 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2bgr s PHE 387 CO 0.04 0.49 0.17 -0.65 0.70 0.00 0.00 175.22 175.97 2bgr s GLN 388 N -1.66 3.45 0.55 0.44 -1.52 -1.26 -1.22 119.66 118.43 2bgr s GLN 388 Ca 0.21 -0.22 0.31 0.00 -1.95 0.00 0.00 55.36 53.71 2bgr s GLN 388 Cb -0.12 -3.14 1.59 0.00 -0.22 0.00 0.00 33.01 31.12 2bgr s GLN 388 CO 0.12 0.72 2.11 -0.84 -0.25 0.00 0.00 175.29 177.15 2bgr h ILE 389 N 3.35 0.42 -0.17 1.08 3.07 -1.60 -2.33 117.51 121.34 2bgr h ILE 389 Ca -0.52 -0.44 -0.07 0.00 1.55 0.00 0.00 64.86 65.38 2bgr h ILE 389 Cb 1.21 1.31 -0.04 0.00 -0.27 0.00 0.00 36.82 39.02 2bgr h ILE 389 CO 0.64 0.08 -0.22 -0.90 -1.05 0.00 0.00 178.15 176.70 2bgr n ASP 390 N -3.51 2.30 -4.12 2.16 5.75 -1.26 -4.29 116.55 113.58 2bgr n ASP 390 Ca -0.02 -3.66 -0.24 0.00 -0.01 0.00 0.00 54.79 50.86 2bgr n ASP 390 Cb 0.22 -0.56 -0.15 0.00 -1.03 0.00 0.00 41.12 39.59 2bgr n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2bgr s LYS 391 N -3.16 1.35 0.06 0.11 -0.14 -0.88 -4.89 119.74 112.18 2bgr s LYS 391 Ca 0.40 -0.54 -0.18 0.00 -1.36 0.00 0.00 55.97 54.29 2bgr s LYS 391 Cb 0.37 -1.26 -0.14 0.00 -1.68 0.00 0.00 37.83 35.11 2bgr s LYS 391 CO -0.01 0.30 1.31 0.87 -0.76 0.00 0.00 175.35 177.05 2bgr h LYS 392 N 5.92 0.51 -6.28 1.68 6.56 -1.90 -3.41 116.57 119.64 2bgr h LYS 392 Ca -0.35 -0.33 -0.54 0.00 -1.06 0.00 0.00 60.65 58.37 2bgr h LYS 392 Cb 1.16 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.82 2bgr h LYS 392 CO 0.48 0.93 0.22 -0.51 -2.06 0.00 0.00 179.45 178.52 2bgr s ASP 393 N -6.46 7.22 0.34 0.86 -0.00 -1.26 -5.01 116.67 112.37 2bgr s ASP 393 Ca -0.13 1.47 0.07 0.00 -0.00 0.00 0.00 52.55 53.96 2bgr s ASP 393 Cb 0.06 -2.49 -0.02 0.00 -0.00 0.00 0.00 42.92 40.47 2bgr s ASP 393 CO 0.80 -0.11 0.37 0.00 -0.00 0.00 0.00 175.17 176.23 2bgr s THR 395 N -2.25 3.11 0.06 0.00 2.01 -0.77 -4.89 115.64 112.91 2bgr s THR 395 Ca 0.43 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 2bgr s THR 395 Cb -0.07 -2.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 2bgr s THR 395 CO 0.29 0.46 1.40 -0.36 -0.69 0.00 0.00 174.62 175.71 2bgr s PHE 396 N 1.31 3.05 -0.70 4.92 0.08 -1.26 -0.44 117.98 124.94 2bgr s PHE 396 Ca 0.04 0.88 0.20 0.00 0.12 0.00 0.00 56.93 58.17 2bgr s PHE 396 Cb -0.14 -3.67 -0.24 0.00 -0.57 0.00 0.00 43.02 38.39 2bgr s PHE 396 CO -0.04 -2.42 0.74 0.44 -0.10 0.00 0.00 175.22 173.83 2bgr n ILE 397 N 4.28 0.00 -4.36 0.64 -5.35 0.01 -4.94 119.36 109.64 2bgr n ILE 397 Ca 0.12 -0.14 -0.19 0.00 -0.27 0.00 0.00 62.75 62.27 2bgr n ILE 397 Cb 0.43 0.76 -0.10 0.00 -1.74 0.00 0.00 39.64 38.98 2bgr n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bgr s THR 398 N -3.00 1.82 0.12 7.28 -4.23 -1.24 -4.93 115.64 111.46 2bgr s THR 398 Ca 0.04 -2.23 -0.25 0.00 -1.18 0.00 0.00 61.69 58.07 2bgr s THR 398 Cb 0.14 -2.08 0.08 0.00 1.34 0.00 0.00 72.50 71.98 2bgr s THR 398 CO 0.82 -0.57 0.67 -1.59 -0.54 0.00 0.00 174.62 173.41 2bgr s LYS 399 N -3.63 1.17 0.00 3.99 -2.85 -1.26 -4.57 119.74 112.58 2bgr s LYS 399 Ca 0.23 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2bgr s LYS 399 Cb -0.01 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2bgr s LYS 399 CO 0.08 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 175.43 2bgr n GLY 400 N -0.31 2.68 2.61 0.59 0.00 -1.26 -4.93 105.19 104.56 2bgr n GLY 400 Ca -0.15 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2bgr n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bgr n THR 401 N -1.99 4.96 -3.83 2.61 -2.24 -1.26 -4.78 114.28 107.76 2bgr n THR 401 Ca 0.00 -4.36 -0.06 0.00 -2.27 0.00 0.00 64.05 57.36 2bgr n THR 401 Cb 0.00 -2.17 0.01 0.00 -2.10 0.00 0.00 70.33 66.07 2bgr n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2bgr s TRP 402 N -0.68 -0.01 0.05 4.78 1.48 -1.26 -5.05 118.94 118.25 2bgr s TRP 402 Ca 0.49 -0.48 0.04 0.00 -1.06 0.00 0.00 56.10 55.09 2bgr s TRP 402 Cb 0.15 0.74 -0.02 0.00 -1.16 0.00 0.00 33.47 33.18 2bgr s TRP 402 CO -0.06 -1.21 -0.12 -1.21 -4.06 0.00 0.00 176.95 170.29 2bgr s GLU 403 N -2.84 0.75 -0.01 3.25 2.02 -1.26 -4.51 118.70 116.09 2bgr s GLU 403 Ca 0.15 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 2bgr s GLU 403 Cb -0.04 -0.69 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 2bgr s GLU 403 CO 0.07 0.16 1.01 0.08 0.02 0.00 0.00 175.26 176.59 2bgr s VAL 404 N -1.14 4.77 -0.12 2.63 1.01 -0.25 -2.53 120.40 124.78 2bgr s VAL 404 Ca -0.03 2.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 2bgr s VAL 404 Cb -0.09 -4.28 -0.26 0.00 0.00 0.00 0.00 36.38 31.75 2bgr s VAL 404 CO 0.01 0.14 0.51 0.40 0.00 0.00 0.00 175.10 176.16 2bgr h ILE 405 N 4.81 1.01 -2.22 2.22 1.08 -1.14 -3.45 117.51 119.83 2bgr h ILE 405 Ca -0.40 -2.37 0.03 0.00 -0.39 0.00 0.00 64.86 61.73 2bgr h ILE 405 Cb 1.21 2.66 -0.17 0.00 -3.07 0.00 0.00 36.82 37.45 2bgr h ILE 405 CO 0.77 0.68 0.35 -0.83 -0.69 0.00 0.00 178.15 178.43 2bgr s GLY 406 N -4.98 -0.49 -0.18 5.37 0.00 -1.19 -5.01 107.32 100.83 2bgr s GLY 406 Ca -0.21 1.20 -0.18 0.00 0.00 0.00 0.00 44.72 45.53 2bgr s GLY 406 CO 0.75 0.62 0.49 -0.42 0.00 0.00 0.00 173.10 174.53 2bgr s ILE 407 N -2.29 5.14 -0.16 0.90 1.01 -1.26 -1.55 121.20 122.99 2bgr s ILE 407 Ca -0.02 0.90 0.06 0.00 0.00 0.00 0.00 60.65 61.60 2bgr s ILE 407 Cb -0.01 -3.81 -0.14 0.00 0.01 0.00 0.00 42.46 38.51 2bgr s ILE 407 CO -0.02 0.22 -0.06 -0.62 0.00 0.00 0.00 174.94 174.45 2bgr n GLU 408 N 4.50 1.03 -3.51 2.79 -0.58 0.74 -4.98 120.64 120.63 2bgr n GLU 408 Ca -0.06 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.61 2bgr n GLU 408 Cb 0.51 -1.36 -0.04 0.00 -0.57 0.00 0.00 31.44 29.98 2bgr n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bgr s ALA 409 N -2.35 -1.37 -0.05 0.62 0.00 -1.06 -4.86 121.76 112.69 2bgr s ALA 409 Ca -0.16 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 2bgr s ALA 409 Cb 0.05 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.90 2bgr s ALA 409 CO 0.48 -0.66 0.09 -1.17 0.00 0.00 0.00 175.76 174.50 2bgr s LEU 410 N -2.54 0.55 0.00 0.00 2.96 -1.26 -0.50 118.68 117.89 2bgr s LEU 410 Ca -0.00 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 2bgr s LEU 410 Cb -0.00 0.10 -0.00 0.00 0.50 0.00 0.00 46.19 46.78 2bgr s LEU 410 CO -0.09 -0.18 0.02 0.35 -1.32 0.00 0.00 176.35 175.13 2bgr n THR 411 N 4.66 0.00 0.23 3.68 -2.24 0.15 -4.97 114.28 115.79 2bgr n THR 411 Ca -0.18 -1.64 0.10 0.00 -2.27 0.00 0.00 64.05 60.07 2bgr n THR 411 Cb 0.50 0.39 0.56 0.00 -2.10 0.00 0.00 70.33 69.69 2bgr n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2bgr h SER 412 N 0.90 0.00 0.00 3.42 4.64 -2.01 -3.25 113.55 117.25 2bgr h SER 412 Ca -0.27 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.76 2bgr h SER 412 Cb 0.86 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.90 2bgr h SER 412 CO 0.45 0.21 -2.19 0.47 -0.87 0.00 0.00 176.83 174.90 2bgr n ASP 413 N -3.62 0.61 -3.97 4.97 8.00 -1.26 -4.86 116.55 116.42 2bgr n ASP 413 Ca -0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 2bgr n ASP 413 Cb 0.34 1.03 -0.12 0.00 -0.02 0.00 0.00 41.12 42.36 2bgr n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bgr s TYR 414 N -2.52 0.25 -0.12 1.24 1.51 -1.23 -1.45 117.35 115.03 2bgr s TYR 414 Ca -0.09 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2bgr s TYR 414 Cb 0.06 -0.18 -0.01 0.00 -0.11 0.00 0.00 41.96 41.72 2bgr s TYR 414 CO 0.74 -0.15 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.71 2bgr s LEU 415 N -1.20 2.59 -0.17 -1.29 1.98 -1.04 -0.68 118.68 118.88 2bgr s LEU 415 Ca -0.13 -0.38 -0.06 0.00 -2.89 0.00 0.00 54.13 50.68 2bgr s LEU 415 Cb -0.08 -1.57 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 2bgr s LEU 415 CO -0.01 0.16 0.04 -0.31 -1.89 0.00 0.00 176.35 174.34 2bgr s TYR 416 N 0.36 3.21 0.05 5.38 1.51 0.34 -1.53 117.35 126.67 2bgr s TYR 416 Ca -0.12 0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2bgr s TYR 416 Cb -0.16 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 2bgr s TYR 416 CO 0.06 0.16 0.14 1.52 -1.11 0.00 0.00 175.55 176.32 2bgr s TYR 417 N 0.23 0.16 -0.14 2.71 -0.85 -0.54 -0.18 117.35 118.74 2bgr s TYR 417 Ca 0.03 -0.47 -0.07 0.00 -0.52 0.00 0.00 57.07 56.03 2bgr s TYR 417 Cb -0.13 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 2bgr s TYR 417 CO 0.01 -0.42 0.13 0.42 -1.52 0.00 0.00 175.55 174.17 2bgr s ILE 418 N -2.86 5.41 0.18 -3.49 -1.09 -0.60 -0.72 121.20 118.03 2bgr s ILE 418 Ca -0.03 0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 2bgr s ILE 418 Cb 0.00 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 2bgr s ILE 418 CO -0.06 0.57 0.24 -0.94 -1.23 0.00 0.00 174.94 173.53 2bgr s SER 419 N -0.65 0.09 -0.42 3.58 1.04 -0.55 -0.52 113.70 116.28 2bgr s SER 419 Ca 0.13 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.54 2bgr s SER 419 Cb -0.12 0.42 0.60 0.00 0.10 0.00 0.00 66.02 67.03 2bgr s SER 419 CO 0.02 -0.89 1.78 -0.46 0.98 0.00 0.00 173.24 174.67 2bgr n ASN 420 N -0.23 3.69 -0.15 7.02 0.23 -1.05 -1.80 115.26 122.96 2bgr n ASN 420 Ca -0.04 -3.68 -0.08 0.00 -0.53 0.00 0.00 54.58 50.25 2bgr n ASN 420 Cb 0.64 -0.78 0.01 0.00 -2.08 0.00 0.00 39.78 37.56 2bgr n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2bgr h GLU 421 N 1.10 0.61 -6.52 -3.83 4.81 -1.86 -3.34 114.58 105.56 2bgr h GLU 421 Ca 0.51 -0.06 -0.57 0.00 -0.13 0.00 0.00 59.36 59.12 2bgr h GLU 421 Cb 2.34 -0.13 0.05 0.00 0.63 0.00 0.00 28.75 31.64 2bgr h GLU 421 CO 0.93 0.46 0.89 0.98 -0.73 0.00 0.00 179.01 181.54 2bgr n TYR 422 N -4.73 2.41 -1.36 0.92 9.36 -1.26 -1.30 117.16 121.21 2bgr n TYR 422 Ca 0.01 0.16 -0.13 0.00 3.32 0.00 0.00 57.90 61.26 2bgr n TYR 422 Cb 0.06 -2.60 -0.06 0.00 -0.63 0.00 0.00 39.34 36.11 2bgr n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2bgr n LYS 423 N 3.99 -1.56 -2.28 2.98 5.02 -1.26 -2.31 118.16 122.74 2bgr n LYS 423 Ca 0.17 0.91 -0.19 0.00 -2.02 0.00 0.00 58.31 57.18 2bgr n LYS 423 Cb 0.31 -5.22 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 2bgr n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bgr n GLY 424 N -0.02 -0.16 3.40 0.72 0.00 -0.42 -4.95 105.19 103.76 2bgr n GLY 424 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2bgr n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bgr s MET 425 N -4.83 2.98 0.28 1.61 -1.94 -0.98 -4.95 119.30 111.47 2bgr s MET 425 Ca 0.00 -1.29 0.22 0.00 -1.71 0.00 0.00 55.69 52.91 2bgr s MET 425 Cb 0.00 -4.11 1.04 0.00 2.01 0.00 0.00 34.83 33.76 2bgr s MET 425 CO 0.00 -1.00 1.68 -0.35 -0.01 0.00 0.00 175.02 175.34 2bgr n PRO 426 N 5.24 0.17 -0.37 2.03 -0.04 -1.26 -2.17 135.00 138.59 2bgr n PRO 426 Ca -0.12 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2bgr n PRO 426 Cb 0.44 -1.90 0.32 0.00 -0.04 0.00 0.00 33.50 32.33 2bgr n PRO 426 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bgr n GLY 427 N -0.52 2.43 3.82 0.55 0.00 -1.26 -4.89 105.19 105.31 2bgr n GLY 427 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2bgr n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bgr s GLY 428 N -1.01 1.80 -0.13 -0.02 0.00 -0.92 -2.20 107.32 104.82 2bgr s GLY 428 Ca 0.49 -1.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 2bgr s GLY 428 CO 0.33 -1.62 0.31 0.50 0.00 0.00 0.00 173.10 172.63 2bgr s ARG 429 N -3.94 0.28 0.04 2.90 1.81 -0.02 -4.17 118.95 115.84 2bgr s ARG 429 Ca 0.40 0.65 0.00 0.00 -1.72 0.00 0.00 55.73 55.06 2bgr s ARG 429 Cb -0.05 -0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 2bgr s ARG 429 CO 0.25 -0.17 -0.04 -0.80 -0.68 0.00 0.00 175.30 173.86 2bgr s ASN 430 N 1.38 0.52 -0.12 0.23 0.01 -0.75 -1.26 114.94 114.96 2bgr s ASN 430 Ca -0.09 -0.72 -0.16 0.00 -0.71 0.00 0.00 52.86 51.18 2bgr s ASN 430 Cb -0.10 0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.64 2bgr s ASN 430 CO -0.10 -0.40 0.41 -0.22 -1.51 0.00 0.00 177.10 175.28 2bgr s LEU 431 N -2.12 4.29 0.20 0.60 2.96 -1.26 -1.48 118.68 121.87 2bgr s LEU 431 Ca -0.05 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 54.67 2bgr s LEU 431 Cb -0.03 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2bgr s LEU 431 CO -0.04 0.08 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.60 2bgr s TYR 432 N 0.34 1.74 -0.00 5.38 1.51 0.10 0.12 117.35 126.54 2bgr s TYR 432 Ca 0.22 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2bgr s TYR 432 Cb -0.15 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 2bgr s TYR 432 CO 0.09 0.36 -0.13 -1.59 -1.11 0.00 0.00 175.55 173.16 2bgr s LYS 433 N -3.41 1.02 -0.11 -0.62 -2.85 -0.40 -1.47 119.74 111.90 2bgr s LYS 433 Ca 0.21 -0.51 0.02 0.00 -1.00 0.00 0.00 55.97 54.69 2bgr s LYS 433 Cb -0.02 -0.99 -0.01 0.00 -2.06 0.00 0.00 37.83 34.75 2bgr s LYS 433 CO 0.07 0.27 -0.18 -1.50 0.10 0.00 0.00 175.35 174.11 2bgr s ILE 434 N -0.39 2.59 -0.20 3.79 2.07 -0.58 -0.90 121.20 127.57 2bgr s ILE 434 Ca 0.04 -0.83 -0.29 0.00 -1.41 0.00 0.00 60.65 58.16 2bgr s ILE 434 Cb -0.05 -2.04 -0.02 0.00 0.13 0.00 0.00 42.46 40.48 2bgr s ILE 434 CO -0.00 0.54 1.38 -1.58 -1.91 0.00 0.00 174.94 173.37 2bgr s GLN 435 N 0.31 4.05 0.53 3.50 0.74 -0.66 -2.49 119.66 125.64 2bgr s GLN 435 Ca -0.14 1.59 0.30 0.00 0.05 0.00 0.00 55.36 57.17 2bgr s GLN 435 Cb -0.17 -3.87 1.43 0.00 1.10 0.00 0.00 33.01 31.50 2bgr s GLN 435 CO 0.07 -0.95 2.03 -0.07 -0.55 0.00 0.00 175.29 175.82 2bgr h LEU 436 N 10.48 0.00 -0.57 3.68 4.07 -1.58 -1.79 115.31 129.59 2bgr h LEU 436 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2bgr h LEU 436 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2bgr h LEU 436 CO 0.99 0.10 -0.22 -1.54 -1.08 0.00 0.00 178.44 176.69 2bgr n SER 437 N -3.37 1.11 -3.15 -0.43 3.41 -1.26 -4.75 113.62 105.18 2bgr n SER 437 Ca -0.01 -0.99 0.04 0.00 -0.26 0.00 0.00 58.87 57.65 2bgr n SER 437 Cb 0.28 0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2bgr n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bgr s ASP 438 N -2.43 -1.59 0.31 4.04 -1.08 -0.68 -5.04 116.67 110.21 2bgr s ASP 438 Ca 0.26 0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.77 2bgr s ASP 438 Cb 0.19 2.03 1.01 0.00 -1.46 0.00 0.00 42.92 44.69 2bgr s ASP 438 CO 0.49 -0.29 1.77 1.88 0.52 0.00 0.00 175.17 179.54 2bgr h TYR 439 N 7.98 0.00 0.00 -5.34 0.05 -1.85 -1.79 116.97 116.03 2bgr h TYR 439 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2bgr h TYR 439 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2bgr h TYR 439 CO 0.24 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.60 2bgr n THR 440 N -2.43 0.75 -3.20 -2.88 -2.24 -1.26 -4.36 114.28 98.66 2bgr n THR 440 Ca 0.02 0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.46 2bgr n THR 440 Cb 0.28 -0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 67.54 2bgr n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bgr s LYS 441 N -3.19 3.85 -0.09 -0.78 1.02 -0.67 -5.01 119.74 114.87 2bgr s LYS 441 Ca 0.07 -2.57 0.01 0.00 0.02 0.00 0.00 55.97 53.50 2bgr s LYS 441 Cb 0.11 -4.65 -0.02 0.00 -0.52 0.00 0.00 37.83 32.75 2bgr s LYS 441 CO 0.42 -1.43 -0.12 0.54 -0.92 0.00 0.00 175.35 173.84 2bgr s VAL 442 N 0.42 3.22 -0.15 3.17 0.11 -1.26 -1.66 120.40 124.25 2bgr s VAL 442 Ca 0.28 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 2bgr s VAL 442 Cb -0.08 -2.31 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2bgr s VAL 442 CO -0.08 0.56 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.17 2bgr s THR 443 N -0.29 2.21 -0.04 5.04 2.01 -0.07 -4.98 115.64 119.52 2bgr s THR 443 Ca 0.03 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 2bgr s THR 443 Cb -0.13 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 2bgr s THR 443 CO 0.03 0.54 0.99 0.00 -0.69 0.00 0.00 174.62 175.48 2bgr n LEU 445 N 4.29 0.21 -0.00 0.00 4.77 0.12 -4.60 117.00 121.79 2bgr n LEU 445 Ca 0.07 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.08 2bgr n LEU 445 Cb 0.50 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2bgr n LEU 445 CO 0.52 -0.01 -0.35 -1.54 -1.33 0.00 0.00 177.39 174.68 2bgr n SER 446 N -2.25 2.46 -0.23 -1.43 3.41 -1.14 -4.81 113.62 109.64 2bgr n SER 446 Ca -0.03 -0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.29 2bgr n SER 446 Cb 0.54 1.15 0.04 0.00 -0.26 0.00 0.00 64.21 65.68 2bgr n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bgr n GLU 448 N -4.63 2.41 -0.06 0.00 -0.58 -1.26 -4.16 120.64 112.36 2bgr n GLU 448 Ca 0.05 -2.20 -0.10 0.00 -0.42 0.00 0.00 57.16 54.49 2bgr n GLU 448 Cb 0.02 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 2bgr n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2bgr h LEU 449 N 3.77 0.27 -5.10 -4.62 3.38 -1.83 -3.40 115.31 107.79 2bgr h LEU 449 Ca 0.00 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 2bgr h LEU 449 Cb 0.89 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.40 2bgr h LEU 449 CO 0.00 0.21 -0.53 -3.20 0.09 0.00 0.00 178.44 175.01 2bgr n ASN 450 N -4.92 -3.24 0.26 -0.43 2.85 -1.26 -5.06 115.26 103.46 2bgr n ASN 450 Ca -0.03 -2.88 0.10 0.00 -0.11 0.00 0.00 54.58 51.66 2bgr n ASN 450 Cb 0.03 1.59 0.68 0.00 1.24 0.00 0.00 39.78 43.32 2bgr n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2bgr h PRO 451 N 5.03 0.00 0.12 1.20 0.13 -1.78 0.21 132.00 136.92 2bgr h PRO 451 Ca 0.07 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.90 2bgr h PRO 451 Cb 1.09 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.25 2bgr h PRO 451 CO 0.04 0.08 -1.25 1.49 -0.23 0.00 0.00 178.00 178.13 2bgr h GLU 452 N 0.00 0.63 0.02 0.86 4.81 -1.97 -3.36 114.58 115.58 2bgr h GLU 452 Ca -0.00 -0.84 -0.27 0.00 -0.13 0.00 0.00 59.36 58.11 2bgr h GLU 452 Cb 0.16 0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2bgr h GLU 452 CO 0.01 1.39 -1.49 -0.09 -0.73 0.00 0.00 179.01 178.10 2bgr h ARG 453 N 0.28 0.05 -4.06 1.92 2.43 -1.85 -3.42 114.38 109.74 2bgr h ARG 453 Ca -0.19 -0.09 -0.60 0.00 -0.81 0.00 0.00 59.98 58.29 2bgr h ARG 453 Cb 1.92 0.03 -0.39 0.00 -0.42 0.00 0.00 29.97 31.11 2bgr h ARG 453 CO 0.24 0.77 -0.76 0.00 -1.51 0.00 0.00 179.97 178.71 2bgr n GLN 455 N 4.70 0.47 -3.58 0.00 6.02 0.51 -4.43 117.38 121.07 2bgr n GLN 455 Ca -0.06 -0.62 -0.27 0.00 -0.01 0.00 0.00 57.00 56.04 2bgr n GLN 455 Cb 0.43 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.77 2bgr n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2bgr s TYR 456 N -0.25 0.22 0.16 1.08 6.14 -1.06 -0.84 117.35 122.80 2bgr s TYR 456 Ca 0.00 -0.50 0.11 0.00 0.64 0.00 0.00 57.07 57.31 2bgr s TYR 456 Cb 0.00 -0.76 -0.04 0.00 0.42 0.00 0.00 41.96 41.58 2bgr s TYR 456 CO 0.00 -0.63 -0.25 0.71 0.64 0.00 0.00 175.55 176.02 2bgr s TYR 457 N 2.13 2.24 0.31 4.97 1.51 -0.39 -0.55 117.35 127.58 2bgr s TYR 457 Ca 0.05 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2bgr s TYR 457 Cb -0.16 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 2bgr s TYR 457 CO -0.19 0.39 0.09 -1.54 -1.11 0.00 0.00 175.55 173.19 2bgr s SER 458 N -2.33 1.95 0.04 2.29 1.04 -0.27 -4.61 113.70 111.81 2bgr s SER 458 Ca 0.16 -1.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.07 2bgr s SER 458 Cb -0.09 0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 2bgr s SER 458 CO 0.07 -0.73 0.14 0.54 0.98 0.00 0.00 173.24 174.24 2bgr s VAL 459 N -3.47 0.12 -0.16 5.02 0.11 -1.26 -1.54 120.40 119.22 2bgr s VAL 459 Ca 0.35 -1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 2bgr s VAL 459 Cb 0.07 -0.93 0.05 0.00 -1.53 0.00 0.00 36.38 34.04 2bgr s VAL 459 CO 0.15 -0.57 0.03 -0.55 -3.33 0.00 0.00 175.10 170.83 2bgr s SER 460 N -2.16 2.53 0.22 3.54 0.15 -0.37 -4.98 113.70 112.64 2bgr s SER 460 Ca -0.04 -0.62 -0.13 0.00 0.70 0.00 0.00 55.95 55.86 2bgr s SER 460 Cb -0.01 -0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 63.68 2bgr s SER 460 CO -0.05 -0.28 0.60 -0.36 1.20 0.00 0.00 173.24 174.36 2bgr s PHE 461 N 1.90 3.50 1.19 3.44 0.40 -1.26 -1.15 117.98 125.99 2bgr s PHE 461 Ca 0.01 1.05 -0.18 0.00 -0.60 0.00 0.00 56.93 57.21 2bgr s PHE 461 Cb -0.16 -2.38 0.28 0.00 0.51 0.00 0.00 43.02 41.27 2bgr s PHE 461 CO -0.07 0.29 1.09 -1.54 0.70 0.00 0.00 175.22 175.69 2bgr s SER 462 N -2.06 0.99 0.32 1.36 1.04 0.05 -4.88 113.70 110.53 2bgr s SER 462 Ca 0.45 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.68 2bgr s SER 462 Cb -0.13 -1.09 0.66 0.00 0.10 0.00 0.00 66.02 65.56 2bgr s SER 462 CO 0.20 -4.09 1.89 0.11 0.98 0.00 0.00 173.24 172.33 2bgr h LYS 463 N -2.56 0.85 -0.12 4.02 1.79 -1.70 -1.16 116.57 117.68 2bgr h LYS 463 Ca -0.47 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 57.86 2bgr h LYS 463 Cb 1.31 -0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 31.70 2bgr h LYS 463 CO 0.38 0.56 -0.54 0.39 -1.08 0.00 0.00 179.45 179.16 2bgr n GLU 464 N -4.53 1.90 -1.88 3.15 -0.58 -1.26 -4.95 120.64 112.50 2bgr n GLU 464 Ca 0.15 -3.44 -0.19 0.00 -0.42 0.00 0.00 57.16 53.26 2bgr n GLU 464 Cb 0.32 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.41 2bgr n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bgr n ALA 465 N -1.06 -0.40 0.07 0.62 0.00 -0.44 -4.88 120.51 114.42 2bgr n ALA 465 Ca 0.23 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 2bgr n ALA 465 Cb 0.74 -1.99 0.05 0.00 0.00 0.00 0.00 19.45 18.25 2bgr n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bgr h LYS 466 N 0.00 0.30 -5.22 0.00 3.64 -1.81 -3.42 116.57 110.07 2bgr h LYS 466 Ca -0.42 -0.25 -0.37 0.00 -1.27 0.00 0.00 60.65 58.35 2bgr h LYS 466 Cb 1.29 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 33.00 2bgr h LYS 466 CO 0.56 0.89 -0.73 0.71 -2.27 0.00 0.00 179.45 178.62 2bgr s TYR 467 N -3.58 1.34 -0.01 1.91 2.02 -1.26 -1.57 117.35 116.19 2bgr s TYR 467 Ca -0.04 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 2bgr s TYR 467 Cb 0.11 -0.68 -0.00 0.00 -0.40 0.00 0.00 41.96 40.99 2bgr s TYR 467 CO 0.82 0.13 0.06 1.52 -1.57 0.00 0.00 175.55 176.51 2bgr s TYR 468 N -2.86 0.03 -0.23 2.71 1.13 -0.44 -0.77 117.35 116.91 2bgr s TYR 468 Ca 0.14 -0.04 -0.12 0.00 -1.41 0.00 0.00 57.07 55.64 2bgr s TYR 468 Cb -0.01 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 40.77 2bgr s TYR 468 CO 0.02 -0.13 0.23 -1.14 -2.51 0.00 0.00 175.55 172.02 2bgr s GLN 469 N -0.62 4.10 -0.03 -3.49 0.74 -0.30 -0.35 119.66 119.71 2bgr s GLN 469 Ca -0.07 -0.14 -0.13 0.00 0.05 0.00 0.00 55.36 55.07 2bgr s GLN 469 Cb -0.04 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 2bgr s GLN 469 CO 0.00 0.03 0.34 -0.51 -0.55 0.00 0.00 175.29 174.61 2bgr s LEU 470 N 1.14 4.45 -0.27 3.68 1.43 -0.44 -1.23 118.68 127.43 2bgr s LEU 470 Ca 0.11 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2bgr s LEU 470 Cb -0.14 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.70 2bgr s LEU 470 CO 0.05 0.34 0.03 -0.13 0.23 0.00 0.00 176.35 176.87 2bgr s ARG 471 N -1.05 1.16 -0.15 1.70 0.52 -0.59 -1.89 118.95 118.66 2bgr s ARG 471 Ca 0.22 -1.08 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 2bgr s ARG 471 Cb -0.16 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 2bgr s ARG 471 CO 0.11 -0.79 0.69 0.00 0.02 0.00 0.00 175.30 175.33 2bgr n SER 473 N 4.70 2.23 0.00 0.00 7.64 0.29 -2.04 113.62 126.45 2bgr n SER 473 Ca -0.00 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.26 2bgr n SER 473 Cb 0.50 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2bgr n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bgr n GLY 474 N 0.91 2.30 0.05 0.23 0.00 -1.26 -1.01 105.19 106.40 2bgr n GLY 474 Ca 0.09 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 45.05 2bgr n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bgr n PRO 475 N -1.15 0.18 0.00 1.61 -0.04 -0.68 -0.36 135.00 134.57 2bgr n PRO 475 Ca 0.00 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2bgr n PRO 475 Cb 0.00 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2bgr n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bgr n GLY 476 N 1.39 -1.11 3.77 0.55 0.00 -0.08 -4.46 105.19 105.25 2bgr n GLY 476 Ca 0.05 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2bgr n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bgr s LEU 477 N 0.00 4.29 0.38 0.99 1.43 -1.26 -4.61 118.68 119.90 2bgr s LEU 477 Ca 0.00 2.54 -0.26 0.00 -1.03 0.00 0.00 54.13 55.38 2bgr s LEU 477 Cb 0.00 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.26 2bgr s LEU 477 CO 0.00 -0.65 1.08 -2.65 0.23 0.00 0.00 176.35 174.36 2bgr n PRO 478 N 0.38 1.55 -3.76 1.29 -0.02 -1.26 -4.79 135.00 128.40 2bgr n PRO 478 Ca 0.02 0.55 -0.17 0.00 -2.02 0.00 0.00 63.50 61.88 2bgr n PRO 478 Cb 0.44 -2.08 -0.17 0.00 -0.02 0.00 0.00 33.50 31.67 2bgr n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bgr s LEU 479 N -0.51 0.78 -0.15 2.45 2.96 -0.86 -4.11 118.68 119.24 2bgr s LEU 479 Ca 0.60 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2bgr s LEU 479 Cb -0.59 -0.13 0.00 0.00 0.50 0.00 0.00 46.19 45.98 2bgr s LEU 479 CO 0.59 -0.16 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.95 2bgr s TYR 480 N 1.44 2.72 0.07 5.38 1.51 -0.47 -1.34 117.35 126.67 2bgr s TYR 480 Ca -0.04 -1.21 0.02 0.00 -1.01 0.00 0.00 57.07 54.83 2bgr s TYR 480 Cb -0.13 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2bgr s TYR 480 CO -0.03 -0.55 -0.08 0.95 -1.11 0.00 0.00 175.55 174.74 2bgr s THR 481 N 0.81 0.66 -0.02 -0.71 -4.23 -0.79 -0.75 115.64 110.61 2bgr s THR 481 Ca -0.06 -1.54 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 2bgr s THR 481 Cb -0.15 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 2bgr s THR 481 CO -0.01 -0.63 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.08 2bgr s LEU 482 N -2.36 2.74 0.06 4.79 0.20 -0.01 -1.33 118.68 122.77 2bgr s LEU 482 Ca 0.02 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2bgr s LEU 482 Cb -0.02 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2bgr s LEU 482 CO -0.02 0.31 -0.06 -1.00 -0.29 0.00 0.00 176.35 175.29 2bgr s HIS 483 N -0.81 0.67 -0.13 5.38 3.76 0.52 -1.02 115.29 123.67 2bgr s HIS 483 Ca 0.13 -0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 54.31 2bgr s HIS 483 Cb -0.11 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 2bgr s HIS 483 CO 0.03 -0.15 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.16 2bgr s SER 484 N -2.21 4.66 0.27 1.40 1.04 -0.43 -1.33 113.70 117.09 2bgr s SER 484 Ca -0.01 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.33 2bgr s SER 484 Cb -0.03 -1.59 0.37 0.00 0.10 0.00 0.00 66.02 64.87 2bgr s SER 484 CO -0.03 0.23 1.66 0.28 0.98 0.00 0.00 173.24 176.36 2bgr h SER 485 N 6.27 0.36 -0.91 7.02 0.02 -1.53 -0.80 113.55 123.97 2bgr h SER 485 Ca -0.35 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.47 2bgr h SER 485 Cb 1.19 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 2bgr h SER 485 CO 0.59 0.74 0.59 1.62 -1.14 0.00 0.00 176.83 179.23 2bgr h VAL 486 N 0.28 1.16 0.00 2.27 3.04 -1.90 -2.97 116.25 118.14 2bgr h VAL 486 Ca 0.02 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2bgr h VAL 486 Cb 0.86 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2bgr h VAL 486 CO 0.07 0.21 -0.15 0.59 -1.01 0.00 0.00 177.57 177.28 2bgr n ASN 487 N -4.50 1.63 -4.21 3.17 5.03 -1.25 -5.00 115.26 110.13 2bgr n ASN 487 Ca 0.11 -2.75 -0.34 0.00 0.87 0.00 0.00 54.58 52.48 2bgr n ASN 487 Cb 0.08 -0.36 -0.04 0.00 -1.02 0.00 0.00 39.78 38.44 2bgr n ASN 487 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2bgr n ASP 488 N -0.99 -1.78 -4.77 6.41 9.92 -0.37 -4.95 116.55 120.03 2bgr n ASP 488 Ca 0.11 -1.07 -0.39 0.00 -0.53 0.00 0.00 54.79 52.91 2bgr n ASP 488 Cb 0.65 -2.54 -0.03 0.00 -0.64 0.00 0.00 41.12 38.57 2bgr n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2bgr s LYS 489 N -6.93 4.20 -0.48 -1.24 1.02 -0.84 -4.82 119.74 110.65 2bgr s LYS 489 Ca 0.46 1.86 -0.21 0.00 0.02 0.00 0.00 55.97 58.10 2bgr s LYS 489 Cb -0.26 -2.81 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2bgr s LYS 489 CO 0.94 -0.20 0.69 0.20 -0.92 0.00 0.00 175.35 176.06 2bgr s GLY 490 N -1.04 1.69 -0.14 -3.33 0.00 -1.26 -1.32 107.32 101.92 2bgr s GLY 490 Ca 0.54 -1.41 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 2bgr s GLY 490 CO 0.40 1.60 0.53 1.41 0.00 0.00 0.00 173.10 177.04 2bgr h LEU 491 N 9.91 0.16 -7.37 0.66 3.38 -1.43 -3.49 115.31 117.13 2bgr h LEU 491 Ca -0.26 -0.80 0.12 0.00 0.09 0.00 0.00 57.88 57.03 2bgr h LEU 491 Cb 1.09 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 2bgr h LEU 491 CO 0.95 1.39 0.44 0.00 0.09 0.00 0.00 178.44 181.31 2bgr s ARG 492 N -2.37 1.11 -0.28 1.13 1.70 -1.13 -5.01 118.95 114.10 2bgr s ARG 492 Ca -0.22 -0.53 -0.19 0.00 -0.47 0.00 0.00 55.73 54.32 2bgr s ARG 492 Cb 0.03 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 2bgr s ARG 492 CO 0.70 -0.50 0.56 0.08 -1.08 0.00 0.00 175.30 175.06 2bgr s VAL 493 N -3.33 5.01 -0.10 4.99 1.01 -1.26 -0.83 120.40 125.90 2bgr s VAL 493 Ca 0.08 0.85 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 2bgr s VAL 493 Cb -0.02 -3.91 -0.28 0.00 0.00 0.00 0.00 36.38 32.18 2bgr s VAL 493 CO -0.03 -0.02 0.54 -0.07 0.00 0.00 0.00 175.10 175.52 2bgr h LEU 494 N 8.95 0.43 -7.03 3.92 3.38 -1.29 -3.48 115.31 120.19 2bgr h LEU 494 Ca -0.28 -0.88 0.02 0.00 0.09 0.00 0.00 57.88 56.84 2bgr h LEU 494 Cb 1.13 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.52 2bgr h LEU 494 CO 0.75 1.69 -0.13 -0.70 0.09 0.00 0.00 178.44 180.15 2bgr s GLU 495 N -2.51 0.57 0.00 1.13 2.56 -1.04 -5.01 118.70 114.41 2bgr s GLU 495 Ca -0.20 1.28 0.08 0.00 0.00 0.00 0.00 54.97 56.13 2bgr s GLU 495 Cb 0.05 0.51 0.14 0.00 2.00 0.00 0.00 34.13 36.82 2bgr s GLU 495 CO 0.78 -0.19 0.96 -0.40 -0.56 0.00 0.00 175.26 175.85 2bgr n ASP 496 N 5.00 2.15 -3.06 -1.70 5.68 -1.26 -1.36 116.55 121.99 2bgr n ASP 496 Ca -0.15 -1.65 -0.21 0.00 -0.50 0.00 0.00 54.79 52.28 2bgr n ASP 496 Cb 0.53 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.43 2bgr n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2bgr n ASN 497 N 0.34 -4.60 0.02 -1.12 3.02 -1.26 -4.83 115.26 106.83 2bgr n ASN 497 Ca 0.06 -0.24 -0.05 0.00 -0.03 0.00 0.00 54.58 54.32 2bgr n ASN 497 Cb 0.28 -3.79 0.15 0.00 -0.61 0.00 0.00 39.78 35.82 2bgr n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2bgr h SER 498 N -0.90 0.50 -0.03 6.41 4.64 -1.94 -1.70 113.55 120.53 2bgr h SER 498 Ca -0.44 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 60.69 2bgr h SER 498 Cb 1.30 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2bgr h SER 498 CO 0.51 0.82 -0.04 0.00 -0.87 0.00 0.00 176.83 177.25 2bgr h ALA 499 N 1.21 -0.02 -0.91 5.18 0.00 -2.00 -1.79 119.26 120.93 2bgr h ALA 499 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bgr h ALA 499 Cb 0.82 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2bgr h ALA 499 CO 0.07 -0.53 0.57 1.25 0.00 0.00 0.00 179.25 180.61 2bgr h LEU 500 N -0.06 1.08 -0.60 0.00 5.85 -1.84 -2.17 115.31 117.56 2bgr h LEU 500 Ca 0.03 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2bgr h LEU 500 Cb 0.11 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2bgr h LEU 500 CO -0.07 0.81 0.29 -0.78 -0.34 0.00 0.00 178.44 178.35 2bgr h ASP 501 N 1.25 0.37 -0.36 1.25 3.58 -1.05 0.14 116.42 121.61 2bgr h ASP 501 Ca 0.33 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 2bgr h ASP 501 Cb -0.09 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2bgr h ASP 501 CO -0.07 0.24 0.16 0.11 -2.88 0.00 0.00 179.24 176.81 2bgr h LYS 502 N 0.52 0.53 -0.11 0.28 1.79 -0.85 -2.22 116.57 116.51 2bgr h LYS 502 Ca 0.28 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2bgr h LYS 502 Cb 0.26 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2bgr h LYS 502 CO -0.23 0.49 0.00 0.52 -1.08 0.00 0.00 179.45 179.15 2bgr h MET 503 N 0.44 0.04 0.00 3.15 2.86 -1.06 -3.07 114.93 117.30 2bgr h MET 503 Ca 0.12 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2bgr h MET 503 Cb 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2bgr h MET 503 CO -0.01 0.03 -0.13 -0.07 1.06 0.00 0.00 176.91 177.78 2bgr h LEU 504 N 0.04 0.00 -2.40 1.22 3.38 -0.50 -0.74 115.31 116.31 2bgr h LEU 504 Ca 0.05 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2bgr h LEU 504 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2bgr h LEU 504 CO -0.08 0.13 0.14 1.56 0.09 0.00 0.00 178.44 180.29 2bgr h GLN 505 N 0.00 0.00 -0.04 1.13 4.20 -1.30 -1.91 115.11 117.19 2bgr h GLN 505 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bgr h GLN 505 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2bgr h GLN 505 CO 0.02 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.27 2bgr n ASN 506 N -3.55 0.88 -4.19 1.46 3.02 -0.28 -4.89 115.26 107.70 2bgr n ASN 506 Ca -0.01 -1.39 -0.19 0.00 -0.03 0.00 0.00 54.58 52.97 2bgr n ASN 506 Cb 0.24 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 2bgr n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2bgr s VAL 507 N -1.96 1.21 -1.13 2.41 0.11 -0.72 -3.81 120.40 116.51 2bgr s VAL 507 Ca 0.38 -1.35 -0.20 0.00 -2.93 0.00 0.00 61.98 57.89 2bgr s VAL 507 Cb 0.19 -1.15 0.08 0.00 -1.53 0.00 0.00 36.38 33.97 2bgr s VAL 507 CO 0.31 -0.20 1.51 -1.10 -3.33 0.00 0.00 175.10 172.29 2bgr s GLN 508 N -1.77 3.79 0.42 1.54 -0.21 0.16 -4.98 119.66 118.62 2bgr s GLN 508 Ca -0.01 -1.68 -0.22 0.00 0.02 0.00 0.00 55.36 53.48 2bgr s GLN 508 Cb -0.10 -5.33 -0.11 0.00 1.00 0.00 0.00 33.01 28.47 2bgr s GLN 508 CO 0.03 -2.12 0.96 -1.64 -2.12 0.00 0.00 175.29 170.39 2bgr s MET 509 N 4.03 4.23 0.78 2.91 -1.94 -1.26 -4.38 119.30 123.67 2bgr s MET 509 Ca 0.47 1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 55.50 2bgr s MET 509 Cb 0.00 -2.24 0.06 0.00 2.01 0.00 0.00 34.83 34.66 2bgr s MET 509 CO -0.03 -0.03 1.09 -1.25 -0.01 0.00 0.00 175.02 174.79 2bgr s PRO 510 N -3.06 2.25 0.39 2.03 0.04 -1.26 -4.27 135.00 131.11 2bgr s PRO 510 Ca 0.61 0.79 0.08 0.00 0.04 0.00 0.00 61.00 62.52 2bgr s PRO 510 Cb -0.11 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2bgr s PRO 510 CO 0.15 -1.54 0.39 -1.54 0.04 0.00 0.00 177.00 174.50 2bgr s SER 511 N -3.78 5.29 -0.10 6.66 1.04 -0.50 -4.93 113.70 117.38 2bgr s SER 511 Ca 0.60 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 56.47 2bgr s SER 511 Cb -0.15 -0.74 0.01 0.00 0.10 0.00 0.00 66.02 65.24 2bgr s SER 511 CO 0.55 -0.57 -0.15 -0.75 0.98 0.00 0.00 173.24 173.29 2bgr s LYS 512 N -4.14 2.14 -0.16 4.02 2.20 -1.26 -0.82 119.74 121.73 2bgr s LYS 512 Ca 0.47 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.49 2bgr s LYS 512 Cb -0.06 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.42 2bgr s LYS 512 CO 0.29 -0.04 0.01 0.21 -0.36 0.00 0.00 175.35 175.46 2bgr s LYS 513 N 0.91 3.73 -0.14 4.03 2.20 -0.35 -4.97 119.74 125.14 2bgr s LYS 513 Ca -0.08 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2bgr s LYS 513 Cb -0.15 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2bgr s LYS 513 CO -0.00 0.32 -0.14 -1.17 -0.36 0.00 0.00 175.35 174.00 2bgr s LEU 514 N 0.20 2.59 0.00 5.43 2.96 -1.26 -0.86 118.68 127.73 2bgr s LEU 514 Ca 0.01 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2bgr s LEU 514 Cb -0.13 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.98 2bgr s LEU 514 CO 0.02 0.12 0.04 -0.67 -1.32 0.00 0.00 176.35 174.54 2bgr n ASP 515 N 3.81 -0.10 -3.94 3.68 4.64 -0.09 -5.01 116.55 119.54 2bgr n ASP 515 Ca -0.19 -1.07 -0.10 0.00 -1.38 0.00 0.00 54.79 52.06 2bgr n ASP 515 Cb 0.52 0.17 -0.10 0.00 -1.04 0.00 0.00 41.12 40.67 2bgr n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2bgr s PHE 516 N -8.27 0.20 0.27 -0.67 -0.71 -1.26 -0.45 117.98 107.10 2bgr s PHE 516 Ca 0.01 -0.46 0.11 0.00 -1.04 0.00 0.00 56.93 55.55 2bgr s PHE 516 Cb -0.00 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 2bgr s PHE 516 CO 0.01 -0.29 -0.10 0.96 -1.34 0.00 0.00 175.22 174.46 2bgr s ILE 517 N -1.98 2.97 -0.29 -4.49 -4.36 -0.08 -4.94 121.20 108.03 2bgr s ILE 517 Ca -0.11 -2.16 -0.06 0.00 -0.26 0.00 0.00 60.65 58.07 2bgr s ILE 517 Cb -0.05 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.09 2bgr s ILE 517 CO -0.02 -0.39 0.06 -0.63 0.24 0.00 0.00 174.94 174.20 2bgr s ILE 518 N -2.41 3.76 -0.14 8.37 1.01 -1.26 -0.60 121.20 129.92 2bgr s ILE 518 Ca 0.31 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 2bgr s ILE 518 Cb -0.06 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2bgr s ILE 518 CO 0.17 0.08 -0.03 -0.76 0.00 0.00 0.00 174.94 174.41 2bgr s LEU 519 N 1.46 3.29 0.00 2.97 1.43 -0.14 -4.70 118.68 122.99 2bgr s LEU 519 Ca 0.02 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2bgr s LEU 519 Cb -0.17 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2bgr s LEU 519 CO 0.01 0.20 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 2bgr n ASN 520 N 3.32 0.00 0.00 2.29 0.23 -1.26 -0.60 115.26 119.23 2bgr n ASN 520 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2bgr n ASN 520 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2bgr n ASN 520 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2bgr n GLU 521 N 0.00 0.00 -5.12 -3.83 4.07 -1.26 -5.03 120.64 109.47 2bgr n GLU 521 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 2bgr n GLU 521 Cb 0.00 -2.11 -0.16 0.00 -0.06 0.00 0.00 31.44 29.11 2bgr n GLU 521 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2bgr s THR 522 N -3.21 1.79 0.00 6.31 2.01 0.23 -5.11 115.64 117.66 2bgr s THR 522 Ca 0.00 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 2bgr s THR 522 Cb 0.00 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 2bgr s THR 522 CO 0.00 0.50 0.93 -0.54 -0.69 0.00 0.00 174.62 174.83 2bgr s LYS 523 N -0.44 4.56 -0.08 4.92 1.02 -1.26 -0.97 119.74 127.48 2bgr s LYS 523 Ca 0.06 1.34 0.04 0.00 0.02 0.00 0.00 55.97 57.43 2bgr s LYS 523 Cb -0.09 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2bgr s LYS 523 CO -0.00 0.00 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.16 2bgr s PHE 524 N 0.85 2.25 0.20 3.18 0.40 0.23 -4.96 117.98 120.13 2bgr s PHE 524 Ca 0.49 -0.84 -0.10 0.00 -0.60 0.00 0.00 56.93 55.88 2bgr s PHE 524 Cb -0.21 -1.52 -0.07 0.00 0.51 0.00 0.00 43.02 41.74 2bgr s PHE 524 CO 0.27 -0.33 0.53 -1.58 0.70 0.00 0.00 175.22 174.80 2bgr s TRP 525 N 0.29 3.46 0.06 0.36 0.52 -1.25 -0.90 118.94 121.47 2bgr s TRP 525 Ca -0.14 0.87 -0.05 0.00 0.02 0.00 0.00 56.10 56.79 2bgr s TRP 525 Cb -0.16 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.89 2bgr s TRP 525 CO 0.06 0.32 0.08 1.52 0.02 0.00 0.00 176.95 178.96 2bgr s TYR 526 N -1.73 0.29 0.09 -1.98 -0.85 0.41 -1.32 117.35 112.26 2bgr s TYR 526 Ca 0.45 -0.72 0.07 0.00 -0.52 0.00 0.00 57.07 56.35 2bgr s TYR 526 Cb -0.12 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 41.99 2bgr s TYR 526 CO 0.21 -0.42 -0.19 1.14 -1.52 0.00 0.00 175.55 174.77 2bgr s GLN 527 N -3.42 1.04 -0.07 -3.49 -2.07 -0.35 -0.91 119.66 110.39 2bgr s GLN 527 Ca 0.02 -1.09 0.02 0.00 -1.82 0.00 0.00 55.36 52.49 2bgr s GLN 527 Cb 0.04 -1.23 0.02 0.00 -1.09 0.00 0.00 33.01 30.74 2bgr s GLN 527 CO -0.08 0.28 -0.11 -1.64 -1.32 0.00 0.00 175.29 172.42 2bgr s MET 528 N -1.82 1.60 -0.40 9.60 -1.94 -0.04 -1.02 119.30 125.27 2bgr s MET 528 Ca 0.04 -0.37 -0.22 0.00 -1.71 0.00 0.00 55.69 53.43 2bgr s MET 528 Cb -0.10 -1.37 0.02 0.00 2.01 0.00 0.00 34.83 35.39 2bgr s MET 528 CO 0.04 -0.02 0.75 0.42 -0.01 0.00 0.00 175.02 176.20 2bgr s ILE 529 N 0.80 4.73 -0.11 2.53 -1.09 0.48 -1.22 121.20 127.32 2bgr s ILE 529 Ca -0.12 0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 58.87 2bgr s ILE 529 Cb -0.15 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 2bgr s ILE 529 CO 0.02 -0.53 0.05 -0.76 -1.23 0.00 0.00 174.94 172.49 2bgr s LEU 530 N 3.09 3.85 0.79 2.97 1.43 -0.00 -1.84 118.68 128.96 2bgr s LEU 530 Ca 0.29 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 2bgr s LEU 530 Cb -0.13 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.22 2bgr s LEU 530 CO 0.19 0.35 1.02 -2.65 0.23 0.00 0.00 176.35 175.49 2bgr n PRO 531 N 2.34 0.26 -1.73 1.29 -0.02 -1.26 -1.41 135.00 134.47 2bgr n PRO 531 Ca -0.19 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 2bgr n PRO 531 Cb 0.54 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2bgr n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bgr n PRO 532 N -2.51 1.87 -3.22 0.52 -0.04 -1.26 -2.69 135.00 127.67 2bgr n PRO 532 Ca 0.13 0.68 -0.23 0.00 -0.04 0.00 0.00 63.50 64.03 2bgr n PRO 532 Cb 0.50 -2.51 0.05 0.00 -0.04 0.00 0.00 33.50 31.50 2bgr n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2bgr n HIS 533 N -0.61 -2.27 -1.66 0.54 8.25 -1.26 -4.88 115.22 113.33 2bgr n HIS 533 Ca 0.08 0.69 -0.49 0.00 -0.26 0.00 0.00 57.72 57.74 2bgr n HIS 533 Cb 0.42 -4.67 -0.05 0.00 1.12 0.00 0.00 29.99 26.82 2bgr n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2bgr n PHE 534 N -4.68 2.11 -4.03 4.41 7.35 -1.09 -4.95 117.46 116.57 2bgr n PHE 534 Ca -0.07 0.30 -0.31 0.00 -0.76 0.00 0.00 57.45 56.60 2bgr n PHE 534 Cb 0.60 -2.52 -0.15 0.00 0.35 0.00 0.00 39.48 37.76 2bgr n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2bgr s ASP 535 N 1.82 4.42 0.00 -2.13 -1.08 -1.26 -4.98 116.67 113.45 2bgr s ASP 535 Ca 0.85 -1.54 0.12 0.00 -0.52 0.00 0.00 52.55 51.47 2bgr s ASP 535 Cb -0.77 -1.49 0.53 0.00 -1.46 0.00 0.00 42.92 39.73 2bgr s ASP 535 CO 0.45 -0.24 1.37 2.29 0.52 0.00 0.00 175.17 179.56 2bgr n LYS 536 N 4.44 0.03 -0.09 4.34 2.85 -1.26 -0.53 118.16 127.94 2bgr n LYS 536 Ca -0.10 0.27 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 2bgr n LYS 536 Cb 0.42 -1.50 0.35 0.00 -0.65 0.00 0.00 35.03 33.65 2bgr n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2bgr n SER 537 N -1.46 1.69 -4.79 -5.58 3.41 -1.26 -4.21 113.62 101.42 2bgr n SER 537 Ca 0.03 -1.74 -0.22 0.00 -0.26 0.00 0.00 58.87 56.68 2bgr n SER 537 Cb 0.13 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 2bgr n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bgr s LYS 538 N -1.76 2.71 -0.30 4.33 1.02 0.32 -5.04 119.74 121.01 2bgr s LYS 538 Ca 0.31 -1.24 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 2bgr s LYS 538 Cb 0.17 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 2bgr s LYS 538 CO 0.25 0.28 0.05 0.15 -0.92 0.00 0.00 175.35 175.16 2bgr s LYS 539 N -3.86 2.86 0.05 1.68 1.02 -1.26 -4.19 119.74 116.05 2bgr s LYS 539 Ca 0.35 -1.00 -0.01 0.00 0.02 0.00 0.00 55.97 55.33 2bgr s LYS 539 Cb -0.06 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2bgr s LYS 539 CO 0.24 -0.51 0.22 0.71 -0.92 0.00 0.00 175.35 175.10 2bgr s TYR 540 N 1.42 3.53 0.77 3.18 1.51 0.16 -4.50 117.35 123.41 2bgr s TYR 540 Ca 0.00 0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 56.26 2bgr s TYR 540 Cb -0.18 -1.81 0.06 0.00 -0.11 0.00 0.00 41.96 39.92 2bgr s TYR 540 CO 0.01 0.59 1.13 -1.25 -1.11 0.00 0.00 175.55 174.92 2bgr s PRO 541 N -2.36 2.10 -0.03 -1.71 0.04 -1.26 -1.15 135.00 130.63 2bgr s PRO 541 Ca 0.33 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.79 2bgr s PRO 541 Cb -0.13 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2bgr s PRO 541 CO 0.25 -1.79 -0.04 -1.17 0.04 0.00 0.00 177.00 174.28 2bgr s LEU 542 N -5.68 1.44 -0.17 -3.56 0.20 -0.69 -1.35 118.68 108.87 2bgr s LEU 542 Ca 0.66 -0.11 -0.03 0.00 0.69 0.00 0.00 54.13 55.35 2bgr s LEU 542 Cb -0.21 -0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 45.15 2bgr s LEU 542 CO 0.51 -0.03 -0.07 -0.22 -0.29 0.00 0.00 176.35 176.25 2bgr s LEU 543 N 0.71 2.94 -0.39 -0.68 0.20 0.46 -1.08 118.68 120.84 2bgr s LEU 543 Ca -0.09 -0.29 -0.21 0.00 0.69 0.00 0.00 54.13 54.23 2bgr s LEU 543 Cb -0.12 -1.71 0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2bgr s LEU 543 CO -0.00 0.10 0.66 -0.22 -0.29 0.00 0.00 176.35 176.60 2bgr s LEU 544 N 0.77 4.31 -0.34 -0.68 2.96 0.27 -1.01 118.68 124.97 2bgr s LEU 544 Ca -0.03 0.00 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 2bgr s LEU 544 Cb -0.15 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.73 2bgr s LEU 544 CO 0.02 -0.69 0.58 -0.62 -1.32 0.00 0.00 176.35 174.32 2bgr s ASP 545 N 1.89 6.40 0.06 3.68 -1.08 -0.10 -0.97 116.67 126.56 2bgr s ASP 545 Ca 0.25 0.15 0.09 0.00 -0.52 0.00 0.00 52.55 52.53 2bgr s ASP 545 Cb -0.14 -2.30 -0.03 0.00 -1.46 0.00 0.00 42.92 38.99 2bgr s ASP 545 CO 0.17 -0.51 -0.25 0.54 0.52 0.00 0.00 175.17 175.64 2bgr s VAL 546 N 2.54 2.03 0.00 1.11 0.11 -0.30 -4.42 120.40 121.48 2bgr s VAL 546 Ca 0.22 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 2bgr s VAL 546 Cb -0.15 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.94 2bgr s VAL 546 CO 0.13 0.26 0.00 0.00 -3.33 0.00 0.00 175.10 172.17 2bgr n TYR 547 N 1.61 0.00 -1.13 1.54 9.36 -1.26 -4.26 117.16 123.03 2bgr n TYR 547 Ca -0.17 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.00 2bgr n TYR 547 Cb 0.52 0.13 -0.02 0.00 -0.63 0.00 0.00 39.34 39.35 2bgr n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bgr n ALA 548 N -2.22 -0.07 -0.96 2.98 0.00 -1.26 -3.33 120.51 115.65 2bgr n ALA 548 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2bgr n ALA 548 Cb 0.00 -0.92 0.16 0.00 0.00 0.00 0.00 19.45 18.69 2bgr n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bgr s GLY 549 N -2.44 1.63 0.16 0.00 0.00 -1.26 -4.87 107.32 100.53 2bgr s GLY 549 Ca 0.00 0.15 -0.33 0.00 0.00 0.00 0.00 44.72 44.54 2bgr s GLY 549 CO 0.00 0.64 1.72 -1.05 0.00 0.00 0.00 173.10 174.40 2bgr n PRO 550 N -4.11 2.56 -1.16 2.90 -0.02 -1.26 -1.29 135.00 132.62 2bgr n PRO 550 Ca 0.08 0.93 -0.06 0.00 -2.02 0.00 0.00 63.50 62.43 2bgr n PRO 550 Cb 0.54 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 2bgr n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bgr s SER 552 N -2.55 5.47 -0.22 0.00 1.04 -0.41 -3.87 113.70 113.16 2bgr s SER 552 Ca 0.00 1.41 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 2bgr s SER 552 Cb 0.00 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 63.94 2bgr s SER 552 CO 0.00 -1.36 0.32 -1.58 0.98 0.00 0.00 173.24 171.60 2bgr s GLN 553 N -5.17 0.28 0.00 4.02 0.74 -1.26 -1.30 119.66 116.97 2bgr s GLN 553 Ca 0.58 0.46 0.14 0.00 0.05 0.00 0.00 55.36 56.59 2bgr s GLN 553 Cb -0.13 -0.67 -0.06 0.00 1.10 0.00 0.00 33.01 33.25 2bgr s GLN 553 CO 0.54 -0.61 0.72 1.63 -0.55 0.00 0.00 175.29 177.03 2bgr n LYS 554 N 5.35 2.00 -3.74 1.67 4.76 -1.26 -4.88 118.16 122.06 2bgr n LYS 554 Ca -0.05 -0.46 -0.38 0.00 -2.87 0.00 0.00 58.31 54.56 2bgr n LYS 554 Cb 0.50 -1.21 -0.12 0.00 -1.84 0.00 0.00 35.03 32.36 2bgr n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bgr s ALA 555 N -2.00 3.07 0.33 7.82 0.00 -1.26 -4.78 121.76 124.93 2bgr s ALA 555 Ca 0.09 -1.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.17 2bgr s ALA 555 Cb 0.11 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.96 2bgr s ALA 555 CO 0.46 -1.38 0.56 -0.40 0.00 0.00 0.00 175.76 174.99 2bgr n ASP 556 N 4.81 -1.61 -1.70 0.00 5.68 -1.26 -4.47 116.55 118.00 2bgr n ASP 556 Ca -0.12 -2.54 0.08 0.00 -0.50 0.00 0.00 54.79 51.72 2bgr n ASP 556 Cb 0.44 2.80 0.38 0.00 -1.14 0.00 0.00 41.12 43.60 2bgr n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bgr n THR 557 N -0.49 2.43 -2.63 2.12 -2.24 -0.94 -4.94 114.28 107.59 2bgr n THR 557 Ca -0.04 -1.38 -0.40 0.00 -2.27 0.00 0.00 64.05 59.96 2bgr n THR 557 Cb 0.52 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 2bgr n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bgr s VAL 558 N -2.47 3.97 -0.15 2.28 1.01 -1.26 -1.68 120.40 122.09 2bgr s VAL 558 Ca 0.52 1.84 -0.25 0.00 0.00 0.00 0.00 61.98 64.10 2bgr s VAL 558 Cb 0.38 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2bgr s VAL 558 CO 0.18 0.39 0.80 0.12 0.00 0.00 0.00 175.10 176.59 2bgr s PHE 559 N -0.76 3.44 0.03 5.22 5.36 -0.18 -4.93 117.98 126.17 2bgr s PHE 559 Ca 0.45 1.24 0.04 0.00 -0.96 0.00 0.00 56.93 57.69 2bgr s PHE 559 Cb -0.28 -2.97 -0.02 0.00 -0.34 0.00 0.00 43.02 39.41 2bgr s PHE 559 CO 0.34 -0.19 -0.12 1.03 -1.46 0.00 0.00 175.22 174.83 2bgr s ARG 560 N 1.92 0.78 -0.34 10.12 0.52 -1.26 -4.91 118.95 125.78 2bgr s ARG 560 Ca 0.38 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 2bgr s ARG 560 Cb -0.17 -0.74 0.09 0.00 0.52 0.00 0.00 34.95 34.65 2bgr s ARG 560 CO 0.13 0.18 0.06 -0.51 0.02 0.00 0.00 175.30 175.19 2bgr s LEU 561 N -1.10 4.59 0.00 2.53 1.02 -1.26 -4.88 118.68 119.58 2bgr s LEU 561 Ca -0.01 -1.88 0.00 0.00 0.02 0.00 0.00 54.13 52.26 2bgr s LEU 561 Cb -0.08 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.45 2bgr s LEU 561 CO 0.01 -0.38 0.00 -0.46 0.02 0.00 0.00 176.35 175.54 2bgr n ASN 562 N 4.43 0.00 -0.30 2.29 0.23 -1.26 -5.00 115.26 115.65 2bgr n ASN 562 Ca -0.03 -0.88 -0.01 0.00 -0.53 0.00 0.00 54.58 53.14 2bgr n ASN 562 Cb 0.42 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.24 2bgr n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2bgr h TRP 563 N 0.88 0.97 -0.79 -2.53 7.01 -1.98 -2.09 115.95 117.42 2bgr h TRP 563 Ca 0.00 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.11 2bgr h TRP 563 Cb 0.00 -0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 26.69 2bgr h TRP 563 CO 0.00 0.52 0.52 0.00 -2.79 0.00 0.00 178.44 176.69 2bgr h ALA 564 N 1.38 1.72 -0.45 2.65 0.00 -1.99 -1.20 119.26 121.36 2bgr h ALA 564 Ca 0.35 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2bgr h ALA 564 Cb 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2bgr h ALA 564 CO -0.15 0.13 0.17 1.15 0.00 0.00 0.00 179.25 180.55 2bgr h THR 565 N 0.77 0.86 -0.44 0.00 2.02 -1.72 -0.91 112.91 113.51 2bgr h THR 565 Ca 0.36 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 2bgr h THR 565 Cb 0.37 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2bgr h THR 565 CO -0.13 0.06 0.08 0.22 0.37 0.00 0.00 175.52 176.12 2bgr h TYR 566 N 0.34 0.75 -0.77 3.16 3.20 -1.32 -0.45 116.97 121.89 2bgr h TYR 566 Ca 0.21 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2bgr h TYR 566 Cb 0.20 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2bgr h TYR 566 CO -0.15 0.71 0.31 -0.07 -1.64 0.00 0.00 178.16 177.32 2bgr h LEU 567 N 0.58 1.05 -0.00 2.82 3.38 -0.77 -0.23 115.31 122.14 2bgr h LEU 567 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2bgr h LEU 567 Cb 0.36 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2bgr h LEU 567 CO 0.01 0.93 -0.04 0.00 0.09 0.00 0.00 178.44 179.43 2bgr h ALA 568 N 1.22 0.01 -0.17 1.53 0.00 -1.20 -2.01 119.26 118.64 2bgr h ALA 568 Ca 0.26 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2bgr h ALA 568 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bgr h ALA 568 CO -0.02 -0.09 -0.11 1.03 0.00 0.00 0.00 179.25 180.05 2bgr h SER 569 N -0.71 0.39 0.07 0.00 0.87 -1.00 -2.69 113.55 110.48 2bgr h SER 569 Ca -0.00 -0.44 -0.38 0.00 -1.23 0.00 0.00 61.79 59.74 2bgr h SER 569 Cb 0.79 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 2bgr h SER 569 CO 0.01 0.75 -2.21 0.41 -0.53 0.00 0.00 176.83 175.26 2bgr n THR 570 N -4.57 1.65 1.09 2.23 -1.04 -0.11 -4.52 114.28 109.01 2bgr n THR 570 Ca -0.06 -0.61 0.12 0.00 -2.04 0.00 0.00 64.05 61.46 2bgr n THR 570 Cb 0.34 -1.60 0.13 0.00 -1.82 0.00 0.00 70.33 67.37 2bgr n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2bgr n GLU 571 N -3.40 1.41 -3.73 -2.82 -0.58 -0.98 -4.98 120.64 105.56 2bgr n GLU 571 Ca -0.38 -1.09 -0.26 0.00 -0.42 0.00 0.00 57.16 55.01 2bgr n GLU 571 Cb 1.02 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 30.46 2bgr n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2bgr n ASN 572 N 0.16 -4.74 -4.75 1.62 5.03 -0.85 -4.95 115.26 106.78 2bgr n ASN 572 Ca 0.12 -0.68 -0.36 0.00 0.87 0.00 0.00 54.58 54.53 2bgr n ASN 572 Cb 0.46 -4.44 -0.08 0.00 -1.02 0.00 0.00 39.78 34.70 2bgr n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2bgr s ILE 573 N -3.36 5.01 -0.08 2.41 1.01 -0.81 -4.48 121.20 120.90 2bgr s ILE 573 Ca 0.50 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.90 2bgr s ILE 573 Cb -0.24 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2bgr s ILE 573 CO 0.78 0.56 0.94 -0.63 0.00 0.00 0.00 174.94 176.59 2bgr s ILE 574 N -0.49 4.85 -0.30 2.92 1.01 -0.46 -3.54 121.20 125.20 2bgr s ILE 574 Ca 0.11 1.93 -0.07 0.00 0.00 0.00 0.00 60.65 62.62 2bgr s ILE 574 Cb -0.12 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.10 2bgr s ILE 574 CO 0.02 0.08 0.08 -0.69 0.00 0.00 0.00 174.94 174.43 2bgr s VAL 575 N 1.59 3.91 0.14 2.92 1.01 -0.77 -0.40 120.40 128.80 2bgr s VAL 575 Ca 0.47 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2bgr s VAL 575 Cb -0.19 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2bgr s VAL 575 CO 0.20 0.03 -0.10 0.00 0.00 0.00 0.00 175.10 175.23 2bgr s ALA 576 N 1.48 2.93 0.03 5.51 0.00 -0.18 -0.39 121.76 131.13 2bgr s ALA 576 Ca 0.02 -1.36 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 2bgr s ALA 576 Cb -0.18 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2bgr s ALA 576 CO 0.02 0.55 -0.03 -1.12 0.00 0.00 0.00 175.76 175.19 2bgr s SER 577 N -2.50 0.29 -0.06 0.00 0.01 -0.19 -0.92 113.70 110.33 2bgr s SER 577 Ca 0.23 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 2bgr s SER 577 Cb -0.10 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2bgr s SER 577 CO 0.14 -0.36 0.15 0.12 0.41 0.00 0.00 173.24 173.70 2bgr s PHE 578 N -1.98 -0.18 -0.39 2.43 5.36 -1.26 -1.21 117.98 120.75 2bgr s PHE 578 Ca -0.11 0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 56.27 2bgr s PHE 578 Cb -0.06 0.01 0.09 0.00 -0.34 0.00 0.00 43.02 42.72 2bgr s PHE 578 CO -0.03 -0.12 0.17 -0.51 -1.46 0.00 0.00 175.22 173.28 2bgr s ASP 579 N 0.48 5.28 0.00 6.13 1.01 -0.44 -4.82 116.67 124.32 2bgr s ASP 579 Ca -0.03 -1.70 0.00 0.00 0.71 0.00 0.00 52.55 51.52 2bgr s ASP 579 Cb -0.05 -1.85 0.00 0.00 1.01 0.00 0.00 42.92 42.04 2bgr s ASP 579 CO -0.02 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.49 2bgr n GLY 580 N 4.69 2.81 3.77 0.21 0.00 -1.26 -3.89 105.19 111.52 2bgr n GLY 580 Ca -0.07 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 2bgr n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bgr s ARG 581 N 3.38 4.10 0.00 1.61 0.52 -1.26 -1.63 118.95 125.67 2bgr s ARG 581 Ca 0.00 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 2bgr s ARG 581 Cb 0.00 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.59 2bgr s ARG 581 CO 0.00 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.32 2bgr n GLY 582 N 0.69 2.30 3.82 -3.53 0.00 0.54 -4.16 105.19 104.85 2bgr n GLY 582 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2bgr n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bgr s SER 583 N -1.65 5.29 0.58 1.61 1.04 -0.65 -0.73 113.70 119.20 2bgr s SER 583 Ca 0.00 1.51 0.02 0.00 0.48 0.00 0.00 55.95 57.96 2bgr s SER 583 Cb 0.00 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.80 2bgr s SER 583 CO 0.00 -1.49 0.81 -0.83 0.98 0.00 0.00 173.24 172.71 2bgr s GLY 584 N -3.88 1.81 -0.36 7.32 0.00 -0.42 -3.65 107.32 108.14 2bgr s GLY 584 Ca 0.58 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2bgr s GLY 584 CO 0.55 -1.16 0.00 -1.72 0.00 0.00 0.00 173.10 170.76 2bgr n TYR 585 N -2.41 0.00 -1.49 1.90 4.01 -1.26 -4.83 117.16 113.08 2bgr n TYR 585 Ca 0.10 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.90 2bgr n TYR 585 Cb 0.60 -1.18 0.08 0.00 -0.31 0.00 0.00 39.34 38.53 2bgr n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2bgr n GLN 586 N -1.90 0.74 0.00 -0.72 6.02 -1.26 -4.44 117.38 115.81 2bgr n GLN 586 Ca -0.03 -1.94 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 2bgr n GLN 586 Cb 0.24 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2bgr n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bgr n GLY 587 N -0.81 0.47 0.17 1.08 0.00 -1.26 -4.65 105.19 100.20 2bgr n GLY 587 Ca 0.09 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.43 2bgr n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bgr h ASP 588 N 0.00 0.00 -0.96 1.61 3.32 -0.91 -2.21 116.42 117.27 2bgr h ASP 588 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2bgr h ASP 588 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 2bgr h ASP 588 CO 0.00 0.43 0.61 0.50 -1.72 0.00 0.00 179.24 179.06 2bgr h LYS 589 N 0.00 0.92 0.01 3.56 3.64 -1.86 0.72 116.57 123.55 2bgr h LYS 589 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2bgr h LYS 589 Cb 0.97 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2bgr h LYS 589 CO 0.06 0.61 -0.00 0.82 -2.27 0.00 0.00 179.45 178.66 2bgr h ILE 590 N 0.94 1.49 -0.45 2.00 2.04 -1.80 -3.31 117.51 118.43 2bgr h ILE 590 Ca 0.46 -2.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 2bgr h ILE 590 Cb 0.47 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 2bgr h ILE 590 CO -0.22 0.49 0.03 -0.03 0.00 0.00 0.00 178.15 178.42 2bgr h MET 591 N -0.97 0.78 -0.17 2.37 4.05 -1.27 0.16 114.93 119.88 2bgr h MET 591 Ca -0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2bgr h MET 591 Cb 0.82 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2bgr h MET 591 CO 0.00 0.82 0.00 0.72 0.23 0.00 0.00 176.91 178.68 2bgr n HIS 592 N -4.41 0.22 0.25 1.39 8.25 0.23 -4.01 115.22 117.15 2bgr n HIS 592 Ca 0.00 -0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 2bgr n HIS 592 Cb 0.28 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.02 2bgr n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bgr h ALA 593 N 3.43 1.81 -0.53 -1.41 0.00 -1.58 -1.99 119.26 118.99 2bgr h ALA 593 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bgr h ALA 593 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bgr h ALA 593 CO 0.00 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.77 2bgr n ILE 594 N -4.34 1.50 -1.68 0.00 -5.35 -1.26 -4.94 119.36 103.30 2bgr n ILE 594 Ca -0.03 -0.95 -0.45 0.00 -0.27 0.00 0.00 62.75 61.05 2bgr n ILE 594 Cb 0.15 0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 2bgr n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2bgr n ASN 595 N 0.86 3.55 -0.61 7.28 4.05 -0.75 -1.14 115.26 128.51 2bgr n ASN 595 Ca 0.21 1.04 -0.08 0.00 0.45 0.00 0.00 54.58 56.20 2bgr n ASN 595 Cb 0.76 -1.47 -0.03 0.00 1.23 0.00 0.00 39.78 40.26 2bgr n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2bgr n ARG 596 N 4.59 -1.28 -2.70 1.20 1.74 0.16 -4.85 116.66 115.52 2bgr n ARG 596 Ca 0.18 0.72 -0.07 0.00 -0.77 0.00 0.00 57.85 57.91 2bgr n ARG 596 Cb 0.32 -4.85 0.07 0.00 -1.02 0.00 0.00 32.46 26.98 2bgr n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bgr n ARG 597 N -1.31 1.25 -1.97 5.56 5.12 -0.29 -4.91 116.66 120.12 2bgr n ARG 597 Ca -0.08 -2.59 -0.38 0.00 -1.93 0.00 0.00 57.85 52.87 2bgr n ARG 597 Cb 0.44 -0.71 0.02 0.00 -1.16 0.00 0.00 32.46 31.06 2bgr n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2bgr s LEU 598 N -3.32 3.94 -0.04 0.55 1.43 -1.23 -3.17 118.68 116.85 2bgr s LEU 598 Ca 0.24 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 2bgr s LEU 598 Cb 0.42 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2bgr s LEU 598 CO -0.03 -1.28 0.00 0.61 0.23 0.00 0.00 176.35 175.88 2bgr n GLY 599 N 0.62 0.38 0.00 -3.19 0.00 -1.26 -4.87 105.19 96.87 2bgr n GLY 599 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2bgr n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bgr n THR 600 N -3.57 0.00 0.01 2.61 -2.24 -1.19 -4.82 114.28 105.08 2bgr n THR 600 Ca -0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2bgr n THR 600 Cb 0.30 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.82 2bgr n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2bgr h PHE 601 N 0.00 0.52 -0.05 4.78 0.04 -1.93 -0.93 116.94 119.37 2bgr h PHE 601 Ca 0.00 -0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 2bgr h PHE 601 Cb 0.00 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2bgr h PHE 601 CO 0.00 0.53 -0.52 1.05 -0.60 0.00 0.00 178.31 178.78 2bgr h GLU 602 N 0.47 0.13 0.07 1.51 9.09 -1.90 -0.73 114.58 123.22 2bgr h GLU 602 Ca 0.10 -0.08 -0.00 0.00 0.05 0.00 0.00 59.36 59.43 2bgr h GLU 602 Cb 0.36 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2bgr h GLU 602 CO 0.01 0.62 -0.03 0.28 0.05 0.00 0.00 179.01 179.94 2bgr h VAL 603 N 0.10 1.21 -0.93 -1.06 2.07 -1.74 -3.11 116.25 112.80 2bgr h VAL 603 Ca 0.00 -1.17 0.11 0.00 0.82 0.00 0.00 66.70 66.46 2bgr h VAL 603 Cb 0.95 1.95 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 2bgr h VAL 603 CO 0.07 0.28 0.56 -0.33 0.02 0.00 0.00 177.57 178.18 2bgr h GLU 604 N -0.64 0.88 -0.06 1.57 5.08 -1.14 -2.49 114.58 117.78 2bgr h GLU 604 Ca -0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2bgr h GLU 604 Cb 0.54 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2bgr h GLU 604 CO 0.02 0.58 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.78 2bgr h ASP 605 N 0.91 0.12 -0.20 1.42 3.32 -1.20 -1.55 116.42 119.24 2bgr h ASP 605 Ca 0.46 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.33 2bgr h ASP 605 Cb 0.44 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2bgr h ASP 605 CO -0.26 0.50 -0.31 1.56 -1.72 0.00 0.00 179.24 179.01 2bgr h GLN 606 N 0.10 0.70 -0.28 3.56 1.08 -1.37 -1.49 115.11 117.40 2bgr h GLN 606 Ca 0.01 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 2bgr h GLN 606 Cb 0.74 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2bgr h GLN 606 CO 0.06 0.92 0.07 0.82 -0.95 0.00 0.00 178.83 179.75 2bgr h ILE 607 N 0.59 1.21 -0.60 2.54 2.04 -1.28 -2.26 117.51 119.76 2bgr h ILE 607 Ca 0.07 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2bgr h ILE 607 Cb 0.83 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2bgr h ILE 607 CO 0.07 0.23 0.34 -0.08 0.00 0.00 0.00 178.15 178.71 2bgr h GLU 608 N 0.29 0.82 -0.15 2.37 4.57 -1.14 -0.27 114.58 121.07 2bgr h GLU 608 Ca 0.09 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2bgr h GLU 608 Cb 0.28 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 2bgr h GLU 608 CO 0.00 0.61 -0.16 0.00 -1.18 0.00 0.00 179.01 178.28 2bgr h ALA 609 N 1.16 -0.07 -0.90 2.92 0.00 -1.21 0.10 119.26 121.27 2bgr h ALA 609 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2bgr h ALA 609 Cb 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2bgr h ALA 609 CO -0.04 -0.61 0.58 0.00 0.00 0.00 0.00 179.25 179.19 2bgr h ALA 610 N 0.87 1.15 -0.76 0.00 0.00 -1.12 0.34 119.26 119.75 2bgr h ALA 610 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2bgr h ALA 610 Cb 0.34 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2bgr h ALA 610 CO -0.26 0.57 0.48 -0.09 0.00 0.00 0.00 179.25 179.95 2bgr h ARG 611 N 1.23 0.91 -0.10 0.00 2.43 -0.57 0.50 114.38 118.78 2bgr h ARG 611 Ca 0.33 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2bgr h ARG 611 Cb -0.11 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.23 2bgr h ARG 611 CO -0.07 0.60 -0.05 1.96 -1.51 0.00 0.00 179.97 180.90 2bgr h GLN 612 N 0.94 0.21 -0.91 0.20 4.20 0.20 -3.08 115.11 116.86 2bgr h GLN 612 Ca 0.30 -0.09 0.11 0.00 0.06 0.00 0.00 58.65 59.03 2bgr h GLN 612 Cb 0.01 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 2bgr h GLN 612 CO -0.11 0.57 0.59 0.74 -0.67 0.00 0.00 178.83 179.95 2bgr h PHE 613 N -0.16 0.97 0.00 2.96 0.04 0.08 -0.79 116.94 120.03 2bgr h PHE 613 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2bgr h PHE 613 Cb 0.51 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.35 2bgr h PHE 613 CO 0.07 0.42 0.00 -1.13 -0.60 0.00 0.00 178.31 177.07 2bgr n SER 614 N -4.55 0.00 -0.23 2.17 3.41 0.17 -1.85 113.62 112.74 2bgr n SER 614 Ca 0.16 -0.60 0.02 0.00 -0.26 0.00 0.00 58.87 58.19 2bgr n SER 614 Cb 0.34 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2bgr n SER 614 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bgr n LYS 615 N -0.98 1.12 0.10 4.33 5.02 -0.31 -4.70 118.16 122.76 2bgr n LYS 615 Ca 0.13 -1.21 0.13 0.00 -2.02 0.00 0.00 58.31 55.34 2bgr n LYS 615 Cb 0.06 -1.10 0.41 0.00 -0.02 0.00 0.00 35.03 34.38 2bgr n LYS 615 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2bgr n MET 616 N 0.13 0.26 0.00 1.97 2.81 -0.77 -4.93 117.12 116.58 2bgr n MET 616 Ca 0.04 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 2bgr n MET 616 Cb 0.21 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 2bgr n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bgr n GLY 617 N 1.31 2.33 0.92 3.03 0.00 -1.26 -4.90 105.19 106.62 2bgr n GLY 617 Ca 0.06 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.32 2bgr n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bgr n PHE 618 N 0.00 0.92 -4.95 1.61 1.16 -1.26 -4.68 117.46 110.26 2bgr n PHE 618 Ca 0.00 -0.77 -0.32 0.00 -1.87 0.00 0.00 57.45 54.49 2bgr n PHE 618 Cb 0.00 -0.25 -0.14 0.00 -1.61 0.00 0.00 39.48 37.48 2bgr n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2bgr s VAL 619 N -2.34 2.85 -0.52 1.97 1.01 -1.26 -0.67 120.40 121.44 2bgr s VAL 619 Ca 0.39 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2bgr s VAL 619 Cb 0.29 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2bgr s VAL 619 CO 0.12 0.57 0.91 -0.62 0.00 0.00 0.00 175.10 176.08 2bgr s ASP 620 N -0.38 6.38 0.10 3.32 -1.08 -0.30 -4.72 116.67 119.99 2bgr s ASP 620 Ca 0.04 -0.24 0.16 0.00 -0.52 0.00 0.00 52.55 51.99 2bgr s ASP 620 Cb -0.12 -2.43 0.69 0.00 -1.46 0.00 0.00 42.92 39.60 2bgr s ASP 620 CO 0.02 -1.15 1.49 -0.46 0.52 0.00 0.00 175.17 175.60 2bgr n ASN 621 N 7.29 0.24 -0.07 -0.34 0.23 -1.26 -0.97 115.26 120.38 2bgr n ASN 621 Ca 0.03 0.57 0.14 0.00 -0.53 0.00 0.00 54.58 54.78 2bgr n ASN 621 Cb 0.48 -0.62 0.53 0.00 -2.08 0.00 0.00 39.78 38.09 2bgr n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2bgr n LYS 622 N -1.78 0.40 -3.23 -3.83 4.76 -1.26 -4.45 118.16 108.76 2bgr n LYS 622 Ca 0.02 -0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.08 2bgr n LYS 622 Cb 0.16 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.78 2bgr n LYS 622 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2bgr n ARG 623 N -1.18 1.05 -5.16 1.97 1.74 -0.15 -4.83 116.66 110.10 2bgr n ARG 623 Ca 0.11 -3.49 -0.31 0.00 -0.77 0.00 0.00 57.85 53.39 2bgr n ARG 623 Cb 0.30 -1.40 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 2bgr n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bgr s ILE 624 N -1.43 1.95 0.30 0.55 1.01 -1.26 -1.69 121.20 120.62 2bgr s ILE 624 Ca 0.36 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2bgr s ILE 624 Cb 0.17 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 2bgr s ILE 624 CO -0.09 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.42 2bgr s ALA 625 N 0.17 2.19 -0.06 9.38 0.00 -0.25 -0.77 121.76 132.43 2bgr s ALA 625 Ca -0.12 -1.97 -0.06 0.00 0.00 0.00 0.00 51.96 49.81 2bgr s ALA 625 Cb -0.16 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2bgr s ALA 625 CO 0.06 -0.28 0.16 -1.50 0.00 0.00 0.00 175.76 174.20 2bgr s ILE 626 N -3.33 0.01 0.06 0.00 2.07 -0.98 -0.56 121.20 118.47 2bgr s ILE 626 Ca 0.34 -0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.40 2bgr s ILE 626 Cb 0.07 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.44 2bgr s ILE 626 CO 0.14 -0.02 0.32 -1.66 -1.91 0.00 0.00 174.94 171.80 2bgr s TRP 627 N -0.01 -0.12 0.02 3.50 1.48 -0.14 -1.19 118.94 122.49 2bgr s TRP 627 Ca -0.01 -0.07 -0.29 0.00 -1.06 0.00 0.00 56.10 54.67 2bgr s TRP 627 Cb -0.02 0.12 0.10 0.00 -1.16 0.00 0.00 33.47 32.52 2bgr s TRP 627 CO 0.00 -0.55 1.10 0.20 -4.06 0.00 0.00 176.95 173.65 2bgr s GLY 628 N -2.26 -0.34 -0.02 3.67 0.00 -0.81 -1.15 107.32 106.41 2bgr s GLY 628 Ca -0.03 0.65 0.06 0.00 0.00 0.00 0.00 44.72 45.40 2bgr s GLY 628 CO -0.05 0.16 -0.19 0.86 0.00 0.00 0.00 173.10 173.88 2bgr s TRP 629 N -2.83 1.74 0.00 1.90 -0.11 -1.26 -1.57 118.94 116.81 2bgr s TRP 629 Ca 0.12 -0.37 0.00 0.00 1.22 0.00 0.00 56.10 57.07 2bgr s TRP 629 Cb 0.01 -1.13 0.00 0.00 -1.50 0.00 0.00 33.47 30.85 2bgr s TRP 629 CO -0.02 -0.06 0.00 0.45 -4.62 0.00 0.00 176.95 172.69 2bgr n SER 630 N 2.73 0.00 -0.21 5.86 2.88 -0.11 -0.62 113.62 124.15 2bgr n SER 630 Ca -0.16 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.47 2bgr n SER 630 Cb 0.53 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.37 2bgr n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2bgr h TYR 631 N 0.00 0.76 0.00 0.66 5.03 -1.87 -1.62 116.97 119.93 2bgr h TYR 631 Ca 0.00 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 2bgr h TYR 631 Cb 0.00 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 2bgr h TYR 631 CO 0.00 0.35 -0.30 0.78 -1.32 0.00 0.00 178.16 177.67 2bgr h GLY 632 N 0.71 0.00 1.21 1.82 0.00 -0.86 -1.25 103.07 104.70 2bgr h GLY 632 Ca 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.52 2bgr h GLY 632 CO -0.14 0.00 -0.46 -1.33 0.00 0.00 0.00 176.54 174.61 2bgr h GLY 633 N 0.93 0.92 0.94 4.60 0.00 -1.28 -1.25 103.07 107.94 2bgr h GLY 633 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.31 2bgr h GLY 633 CO 0.04 0.90 -0.23 -1.82 0.00 0.00 0.00 176.54 175.43 2bgr h TYR 634 N 0.67 -0.59 -0.51 5.60 3.20 -1.00 -1.80 116.97 122.54 2bgr h TYR 634 Ca 0.04 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2bgr h TYR 634 Cb 1.05 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2bgr h TYR 634 CO 0.06 -0.36 0.31 0.28 -1.64 0.00 0.00 178.16 176.81 2bgr h VAL 635 N -0.60 1.05 -0.64 1.81 2.07 -1.26 0.97 116.25 119.66 2bgr h VAL 635 Ca -0.05 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.38 2bgr h VAL 635 Cb 0.48 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 2bgr h VAL 635 CO 0.07 0.11 0.18 0.74 0.02 0.00 0.00 177.57 178.69 2bgr h THR 636 N 0.61 0.66 -0.29 2.57 2.02 -1.20 0.19 112.91 117.47 2bgr h THR 636 Ca 0.21 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 2bgr h THR 636 Cb 0.02 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2bgr h THR 636 CO -0.09 0.06 -0.20 0.28 0.37 0.00 0.00 175.52 175.94 2bgr h SER 637 N 0.32 0.67 -0.84 4.18 0.02 -0.57 -0.60 113.55 116.74 2bgr h SER 637 Ca 0.34 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2bgr h SER 637 Cb 0.49 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2bgr h SER 637 CO -0.39 0.96 0.51 0.24 -1.14 0.00 0.00 176.83 177.02 2bgr h MET 638 N 0.38 1.13 -0.29 3.45 2.86 -0.56 -0.97 114.93 120.93 2bgr h MET 638 Ca 0.06 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2bgr h MET 638 Cb 0.74 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2bgr h MET 638 CO 0.05 0.79 0.16 0.28 1.06 0.00 0.00 176.91 179.25 2bgr h VAL 639 N 1.15 1.13 0.00 -2.22 2.07 -0.48 -2.42 116.25 115.48 2bgr h VAL 639 Ca 0.30 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2bgr h VAL 639 Cb -0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2bgr h VAL 639 CO -0.06 0.13 -0.34 -0.07 0.02 0.00 0.00 177.57 177.25 2bgr h LEU 640 N 0.35 0.00 -0.83 2.57 3.38 -0.93 -2.06 115.31 117.79 2bgr h LEU 640 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2bgr h LEU 640 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2bgr h LEU 640 CO -0.02 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.46 2bgr n GLY 641 N -0.52 0.03 0.14 0.83 0.00 -0.38 -4.33 105.19 100.96 2bgr n GLY 641 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.76 2bgr n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bgr h SER 642 N 1.44 0.00 -0.10 1.61 4.64 -0.86 -3.43 113.55 116.85 2bgr h SER 642 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2bgr h SER 642 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2bgr h SER 642 CO 0.00 0.43 -0.04 0.61 -0.87 0.00 0.00 176.83 176.96 2bgr n GLY 643 N 1.22 0.55 0.18 -0.77 0.00 -1.26 -4.96 105.19 100.16 2bgr n GLY 643 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.26 2bgr n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bgr h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.47 113.55 114.42 2bgr h SER 644 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2bgr h SER 644 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2bgr h SER 644 CO 0.06 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2bgr n GLY 645 N -0.37 0.69 0.14 -0.77 0.00 -1.26 -4.91 105.19 98.71 2bgr n GLY 645 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2bgr n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bgr h VAL 646 N 0.00 1.44 -3.30 1.61 2.07 -1.96 -3.45 116.25 112.66 2bgr h VAL 646 Ca 0.00 -2.55 -0.63 0.00 0.82 0.00 0.00 66.70 64.34 2bgr h VAL 646 Cb 0.05 2.46 -0.19 0.00 -1.52 0.00 0.00 31.29 32.10 2bgr h VAL 646 CO 0.00 0.75 -0.63 -0.36 0.02 0.00 0.00 177.57 177.36 2bgr s PHE 647 N -3.21 3.12 0.11 1.57 0.40 -1.26 -4.57 117.98 114.13 2bgr s PHE 647 Ca -0.05 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 2bgr s PHE 647 Cb 0.09 -1.99 -0.14 0.00 0.51 0.00 0.00 43.02 41.49 2bgr s PHE 647 CO 0.85 0.06 1.29 -0.22 0.70 0.00 0.00 175.22 177.90 2bgr h LYS 648 N 6.61 0.64 -3.13 0.44 3.64 -1.27 -3.46 116.57 120.05 2bgr h LYS 648 Ca -0.34 -0.60 0.02 0.00 -1.27 0.00 0.00 60.65 58.46 2bgr h LYS 648 Cb 1.18 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 2bgr h LYS 648 CO 0.65 1.21 0.15 0.00 -2.27 0.00 0.00 179.45 179.19 2bgr s GLY 650 N -2.89 -0.21 -0.09 0.00 0.00 -0.01 -2.32 107.32 101.80 2bgr s GLY 650 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.86 2bgr s GLY 650 CO 0.01 -0.01 -0.10 -0.42 0.00 0.00 0.00 173.10 172.59 2bgr s ILE 651 N -3.52 1.08 -0.23 0.90 1.01 -0.33 -1.67 121.20 118.44 2bgr s ILE 651 Ca 0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2bgr s ILE 651 Cb -0.03 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 2bgr s ILE 651 CO 0.03 0.36 -0.02 0.00 0.00 0.00 0.00 174.94 175.31 2bgr s ALA 652 N 1.22 2.87 -0.18 9.38 0.00 -0.61 -1.92 121.76 132.51 2bgr s ALA 652 Ca -0.04 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2bgr s ALA 652 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 2bgr s ALA 652 CO -0.03 -0.49 -0.02 0.08 0.00 0.00 0.00 175.76 175.31 2bgr s VAL 653 N 1.49 3.89 -1.14 0.00 1.01 -0.61 -1.38 120.40 123.66 2bgr s VAL 653 Ca 0.05 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2bgr s VAL 653 Cb -0.15 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2bgr s VAL 653 CO -0.02 0.45 0.42 0.00 0.00 0.00 0.00 175.10 175.95 2bgr n ALA 654 N 4.00 -2.26 -1.78 5.51 0.00 0.70 -0.94 120.51 125.75 2bgr n ALA 654 Ca -0.17 -0.48 -0.36 0.00 0.00 0.00 0.00 53.44 52.43 2bgr n ALA 654 Cb 0.52 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 2bgr n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bgr s PRO 655 N -7.09 3.84 0.36 0.00 0.04 -1.26 -3.20 135.00 127.69 2bgr s PRO 655 Ca 0.31 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2bgr s PRO 655 Cb -0.17 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 2bgr s PRO 655 CO 0.86 -0.43 1.15 0.08 0.04 0.00 0.00 177.00 178.70 2bgr s VAL 656 N -1.74 3.25 0.00 -0.36 1.01 -1.22 -4.49 120.40 116.85 2bgr s VAL 656 Ca 0.64 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2bgr s VAL 656 Cb -0.22 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2bgr s VAL 656 CO 0.27 0.15 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 2bgr n SER 657 N 0.39 4.22 -3.66 3.32 3.41 -1.26 -4.01 113.62 116.04 2bgr n SER 657 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.57 2bgr n SER 657 Cb 0.46 0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 65.01 2bgr n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bgr s ARG 658 N -1.75 0.57 0.42 4.33 3.52 -1.26 -1.35 118.95 123.43 2bgr s ARG 658 Ca 0.00 1.16 0.12 0.00 -0.13 0.00 0.00 55.73 56.88 2bgr s ARG 658 Cb 0.00 0.28 0.91 0.00 -1.56 0.00 0.00 34.95 34.59 2bgr s ARG 658 CO 0.00 -0.17 1.97 -1.49 -0.81 0.00 0.00 175.30 174.80 2bgr h TRP 659 N 7.37 0.14 0.00 5.12 4.06 -1.87 -1.38 115.95 129.39 2bgr h TRP 659 Ca -0.27 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2bgr h TRP 659 Cb 1.18 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2bgr h TRP 659 CO 0.14 0.26 0.09 0.93 -3.56 0.00 0.00 178.44 176.31 2bgr h GLU 660 N 0.13 0.00 0.00 0.49 5.08 -1.91 -2.04 114.58 116.33 2bgr h GLU 660 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2bgr h GLU 660 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2bgr h GLU 660 CO 0.02 0.00 -0.64 0.66 -1.00 0.00 0.00 179.01 178.05 2bgr n TYR 661 N -2.49 0.44 -2.85 4.33 4.01 -0.52 -3.88 117.16 116.21 2bgr n TYR 661 Ca -0.02 0.13 -0.20 0.00 -0.16 0.00 0.00 57.90 57.65 2bgr n TYR 661 Cb 0.14 -0.57 0.02 0.00 -0.31 0.00 0.00 39.34 38.62 2bgr n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2bgr s TYR 662 N -3.14 2.89 0.59 -0.72 5.04 -0.77 -4.82 117.35 116.41 2bgr s TYR 662 Ca 0.07 -0.14 -0.17 0.00 -2.44 0.00 0.00 57.07 54.39 2bgr s TYR 662 Cb 0.14 -2.54 -0.04 0.00 0.35 0.00 0.00 41.96 39.87 2bgr s TYR 662 CO 0.72 -0.62 1.07 0.16 -1.34 0.00 0.00 175.55 175.54 2bgr s ASP 663 N -4.37 5.71 0.10 4.32 1.47 -1.26 -1.12 116.67 121.52 2bgr s ASP 663 Ca 0.55 1.91 -0.25 0.00 1.18 0.00 0.00 52.55 55.94 2bgr s ASP 663 Cb -0.10 -2.55 -0.13 0.00 -0.34 0.00 0.00 42.92 39.81 2bgr s ASP 663 CO 0.36 -1.22 1.70 0.77 0.68 0.00 0.00 175.17 177.46 2bgr h SER 664 N 0.58 -0.27 -0.12 2.11 4.64 -1.15 -2.09 113.55 117.25 2bgr h SER 664 Ca -0.48 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2bgr h SER 664 Cb 1.23 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 2bgr h SER 664 CO 0.57 -0.16 0.02 0.58 -0.87 0.00 0.00 176.83 176.97 2bgr h VAL 665 N -0.23 0.95 0.10 0.95 2.07 -1.93 -0.05 116.25 118.10 2bgr h VAL 665 Ca 0.01 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2bgr h VAL 665 Cb 0.22 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2bgr h VAL 665 CO -0.03 0.01 -0.05 0.22 0.02 0.00 0.00 177.57 177.75 2bgr h TYR 666 N 0.08 -0.12 0.36 1.57 5.03 -1.92 -3.15 116.97 118.81 2bgr h TYR 666 Ca 0.05 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2bgr h TYR 666 Cb 0.04 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 2bgr h TYR 666 CO -0.12 0.35 -0.24 1.15 -1.32 0.00 0.00 178.16 177.98 2bgr h THR 667 N -0.67 0.50 0.00 1.81 2.02 -1.30 -2.80 112.91 112.46 2bgr h THR 667 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2bgr h THR 667 Cb 0.53 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2bgr h THR 667 CO 0.02 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 175.51 2bgr h GLU 668 N -0.58 0.00 -0.97 6.66 5.08 -1.16 -0.28 114.58 123.31 2bgr h GLU 668 Ca -0.04 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2bgr h GLU 668 Cb 0.49 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2bgr h GLU 668 CO 0.02 0.07 0.61 -0.09 -1.00 0.00 0.00 179.01 178.63 2bgr h ARG 669 N 0.00 1.00 0.00 2.33 2.43 -1.45 -0.91 114.38 117.78 2bgr h ARG 669 Ca -0.00 -0.06 -0.34 0.00 -0.81 0.00 0.00 59.98 58.76 2bgr h ARG 669 Cb 0.29 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2bgr h ARG 669 CO 0.01 0.66 -2.33 0.66 -1.51 0.00 0.00 179.97 177.46 2bgr n TYR 670 N -4.59 0.00 0.48 2.20 4.01 -0.80 -4.63 117.16 113.83 2bgr n TYR 670 Ca 0.17 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.96 2bgr n TYR 670 Cb 0.27 -0.95 -0.03 0.00 -0.31 0.00 0.00 39.34 38.32 2bgr n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2bgr n MET 671 N -2.71 2.93 0.00 -0.72 2.81 -0.18 0.38 117.12 119.63 2bgr n MET 671 Ca -0.31 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 2bgr n MET 671 Cb 1.12 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 32.59 2bgr n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bgr n GLY 672 N 1.11 0.69 3.72 3.03 0.00 -0.35 -4.68 105.19 108.70 2bgr n GLY 672 Ca 0.03 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2bgr n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bgr s LEU 673 N 0.00 3.68 -1.49 0.99 1.02 -1.26 -4.23 118.68 117.40 2bgr s LEU 673 Ca 0.00 0.13 -0.10 0.00 0.02 0.00 0.00 54.13 54.19 2bgr s LEU 673 Cb 0.00 -1.97 0.01 0.00 0.02 0.00 0.00 46.19 44.26 2bgr s LEU 673 CO 0.00 0.34 2.56 -0.81 0.02 0.00 0.00 176.35 178.46 2bgr n PRO 674 N 1.78 3.71 -4.37 1.29 -0.04 -1.26 -1.72 135.00 134.39 2bgr n PRO 674 Ca -0.17 -2.72 -0.25 0.00 -0.04 0.00 0.00 63.50 60.33 2bgr n PRO 674 Cb 0.53 -2.88 -0.12 0.00 -0.04 0.00 0.00 33.50 30.99 2bgr n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bgr s THR 675 N 1.45 2.08 0.39 0.52 -4.23 -1.26 -4.67 115.64 109.91 2bgr s THR 675 Ca 0.58 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 59.35 2bgr s THR 675 Cb 0.16 -1.94 0.36 0.00 1.34 0.00 0.00 72.50 72.43 2bgr s THR 675 CO -0.07 -0.14 1.82 -0.65 -0.54 0.00 0.00 174.62 175.04 2bgr h PRO 676 N 3.43 0.48 0.00 3.99 0.11 -1.96 -0.66 132.00 137.39 2bgr h PRO 676 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bgr h PRO 676 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bgr h PRO 676 CO 0.46 0.32 0.00 0.93 -0.21 0.00 0.00 178.00 179.50 2bgr h GLU 677 N 0.49 0.00 0.00 1.05 3.07 -1.96 -3.43 114.58 113.80 2bgr h GLU 677 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2bgr h GLU 677 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2bgr h GLU 677 CO -0.24 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 173.90 2bgr n ASP 678 N -2.94 0.00 -0.53 1.42 -0.08 -0.32 -5.03 116.55 109.07 2bgr n ASP 678 Ca 0.02 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.34 2bgr n ASP 678 Cb 0.38 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.89 2bgr n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2bgr n ASN 679 N 0.00 0.91 -0.34 1.67 4.05 -0.70 -4.87 115.26 115.99 2bgr n ASN 679 Ca 0.00 -2.44 0.06 0.00 0.45 0.00 0.00 54.58 52.65 2bgr n ASN 679 Cb 0.00 -0.30 0.22 0.00 1.23 0.00 0.00 39.78 40.93 2bgr n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2bgr h LEU 680 N 0.21 0.81 -0.80 1.20 5.85 -1.49 -2.13 115.31 118.97 2bgr h LEU 680 Ca -0.03 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2bgr h LEU 680 Cb 1.33 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 2bgr h LEU 680 CO 0.01 0.42 0.48 0.44 -0.34 0.00 0.00 178.44 179.46 2bgr h ASP 681 N 0.89 0.75 0.85 1.25 3.32 -1.89 -1.21 116.42 120.37 2bgr h ASP 681 Ca 0.47 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.36 2bgr h ASP 681 Cb 0.50 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2bgr h ASP 681 CO -0.28 0.48 -0.88 -0.74 -1.72 0.00 0.00 179.24 176.10 2bgr h HIS 682 N 0.88 0.03 -0.88 4.55 2.76 -1.77 -1.36 115.15 119.36 2bgr h HIS 682 Ca 0.35 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.63 2bgr h HIS 682 Cb 0.18 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 2bgr h HIS 682 CO -0.05 0.88 0.57 1.88 -1.30 0.00 0.00 177.93 179.91 2bgr h TYR 683 N 0.01 0.84 0.00 5.26 0.05 -0.85 -2.81 116.97 119.47 2bgr h TYR 683 Ca -0.01 0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.62 2bgr h TYR 683 Cb 1.54 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.99 2bgr h TYR 683 CO 0.00 0.34 -0.99 0.00 -1.05 0.00 0.00 178.16 176.47 2bgr h ARG 684 N 0.74 0.00 0.00 4.88 2.47 -0.77 -3.29 114.38 118.42 2bgr h ARG 684 Ca 0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 2bgr h ARG 684 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2bgr h ARG 684 CO -0.19 0.63 -0.00 0.09 0.56 0.00 0.00 179.97 181.06 2bgr n ASN 685 N -3.18 0.41 -1.33 7.04 5.03 -0.56 -4.26 115.26 118.41 2bgr n ASN 685 Ca -0.03 0.54 -0.04 0.00 0.87 0.00 0.00 54.58 55.91 2bgr n ASN 685 Cb 0.86 -0.65 0.22 0.00 -1.02 0.00 0.00 39.78 39.20 2bgr n ASN 685 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2bgr n SER 686 N -1.88 3.22 -4.91 6.41 3.41 -1.07 -5.01 113.62 113.79 2bgr n SER 686 Ca 0.06 -3.52 -0.29 0.00 -0.26 0.00 0.00 58.87 54.87 2bgr n SER 686 Cb 0.39 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2bgr n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bgr s THR 687 N -3.13 5.03 0.18 6.66 -4.23 -1.26 -4.80 115.64 114.08 2bgr s THR 687 Ca 0.47 0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 2bgr s THR 687 Cb 0.41 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.58 2bgr s THR 687 CO 0.05 -0.32 1.65 0.58 -0.54 0.00 0.00 174.62 176.04 2bgr h VAL 688 N 1.35 1.27 -0.59 2.29 2.07 -1.57 -3.28 116.25 117.79 2bgr h VAL 688 Ca -0.48 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 65.95 2bgr h VAL 688 Cb 1.19 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2bgr h VAL 688 CO 0.66 0.41 0.39 0.24 0.02 0.00 0.00 177.57 179.29 2bgr h MET 689 N 0.98 0.70 0.00 1.57 2.86 -1.92 -0.71 114.93 118.42 2bgr h MET 689 Ca 0.18 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2bgr h MET 689 Cb 0.52 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2bgr h MET 689 CO 0.02 0.47 0.00 0.66 1.06 0.00 0.00 176.91 179.12 2bgr h SER 690 N 0.73 0.00 -0.46 1.22 4.64 -1.94 -2.85 113.55 114.88 2bgr h SER 690 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2bgr h SER 690 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2bgr h SER 690 CO -0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.44 2bgr n ARG 691 N -2.58 2.49 -0.27 4.77 1.74 -0.27 -4.71 116.66 117.82 2bgr n ARG 691 Ca -0.01 -2.27 0.09 0.00 -0.77 0.00 0.00 57.85 54.89 2bgr n ARG 691 Cb 0.13 -1.46 0.23 0.00 -1.02 0.00 0.00 32.46 30.34 2bgr n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bgr h ALA 692 N 3.73 1.07 -0.54 7.54 0.00 -1.56 -0.37 119.26 129.13 2bgr h ALA 692 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2bgr h ALA 692 Cb 0.89 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2bgr h ALA 692 CO 0.00 -0.41 0.36 1.49 0.00 0.00 0.00 179.25 180.69 2bgr h GLU 693 N 0.21 0.56 0.00 0.00 4.57 -1.87 -1.14 114.58 116.91 2bgr h GLU 693 Ca 0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 2bgr h GLU 693 Cb 0.89 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2bgr h GLU 693 CO -0.61 0.37 0.00 0.09 -1.18 0.00 0.00 179.01 177.68 2bgr n ASN 694 N -4.47 0.00 0.00 1.04 5.03 -0.15 -2.60 115.26 114.11 2bgr n ASN 694 Ca 0.07 0.28 0.12 0.00 0.87 0.00 0.00 54.58 55.92 2bgr n ASN 694 Cb 0.18 -0.40 0.67 0.00 -1.02 0.00 0.00 39.78 39.21 2bgr n ASN 694 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2bgr n PHE 695 N -1.40 0.00 0.26 3.10 3.01 -0.43 -3.87 117.46 118.13 2bgr n PHE 695 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.64 2bgr n PHE 695 Cb 0.17 -0.18 0.72 0.00 -0.01 0.00 0.00 39.48 40.18 2bgr n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2bgr h LYS 696 N 0.00 0.00 -0.56 -1.08 1.57 -1.70 -2.51 116.57 112.30 2bgr h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bgr h LYS 696 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2bgr h LYS 696 CO 0.00 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 180.03 2bgr n GLN 697 N -3.82 3.58 -4.32 3.15 6.02 -1.25 -4.97 117.38 115.77 2bgr n GLN 697 Ca -0.02 -2.79 -0.17 0.00 -0.01 0.00 0.00 57.00 54.00 2bgr n GLN 697 Cb 0.20 -1.82 -0.10 0.00 1.02 0.00 0.00 30.24 29.54 2bgr n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2bgr s VAL 698 N -1.91 1.55 -0.23 5.09 -7.23 -0.95 -4.93 120.40 111.79 2bgr s VAL 698 Ca 0.47 -2.16 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 2bgr s VAL 698 Cb 0.31 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 2bgr s VAL 698 CO 0.21 -0.62 0.15 -1.61 -0.31 0.00 0.00 175.10 172.92 2bgr s GLU 699 N -3.68 4.10 -0.04 4.82 2.02 -0.73 -4.99 118.70 120.20 2bgr s GLU 699 Ca 0.21 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.99 2bgr s GLU 699 Cb 0.01 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 2bgr s GLU 699 CO 0.05 0.13 -0.16 -0.47 0.02 0.00 0.00 175.26 174.83 2bgr s TYR 700 N 0.86 1.60 -0.16 1.61 5.04 -1.26 -0.83 117.35 124.21 2bgr s TYR 700 Ca 0.08 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 2bgr s TYR 700 Cb -0.13 -1.07 0.01 0.00 0.35 0.00 0.00 41.96 41.12 2bgr s TYR 700 CO 0.03 -0.13 -0.20 -1.17 -1.34 0.00 0.00 175.55 172.73 2bgr s LEU 701 N -0.03 2.15 -0.20 6.97 2.96 -0.67 -1.12 118.68 128.74 2bgr s LEU 701 Ca -0.02 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 2bgr s LEU 701 Cb -0.10 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2bgr s LEU 701 CO 0.01 0.04 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.81 2bgr s LEU 702 N 1.08 2.94 -0.02 -0.68 2.96 -0.27 -1.58 118.68 123.11 2bgr s LEU 702 Ca -0.00 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 2bgr s LEU 702 Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 2bgr s LEU 702 CO -0.08 0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.22 2bgr s ILE 703 N 1.15 1.09 -0.23 6.68 1.01 -0.48 -1.54 121.20 128.87 2bgr s ILE 703 Ca 0.02 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 2bgr s ILE 703 Cb -0.14 -0.92 0.06 0.00 0.01 0.00 0.00 42.46 41.47 2bgr s ILE 703 CO -0.01 0.31 0.61 -2.28 0.00 0.00 0.00 174.94 173.57 2bgr s HIS 704 N -0.15 -0.71 0.24 3.97 2.46 -1.05 -0.22 115.29 119.83 2bgr s HIS 704 Ca 0.02 1.67 -0.25 0.00 0.47 0.00 0.00 55.06 56.97 2bgr s HIS 704 Cb -0.07 0.28 -0.09 0.00 -0.13 0.00 0.00 32.58 32.57 2bgr s HIS 704 CO 0.00 -0.35 0.84 0.20 -2.47 0.00 0.00 174.74 172.96 2bgr s GLY 705 N 0.56 2.84 0.44 1.59 0.00 -1.26 -1.89 107.32 109.60 2bgr s GLY 705 Ca -0.02 0.40 0.24 0.00 0.00 0.00 0.00 44.72 45.35 2bgr s GLY 705 CO -0.03 0.86 1.79 -0.91 0.00 0.00 0.00 173.10 174.82 2bgr h THR 706 N 2.95 0.47 -0.77 0.90 1.35 -1.30 -3.07 112.91 113.44 2bgr h THR 706 Ca -0.47 -1.14 -0.40 0.00 -0.55 0.00 0.00 66.41 63.85 2bgr h THR 706 Cb 1.20 1.81 -0.24 0.00 -1.73 0.00 0.00 68.15 69.19 2bgr h THR 706 CO 0.66 0.20 0.39 0.00 -0.25 0.00 0.00 175.52 176.51 2bgr n ALA 707 N -2.20 5.17 -2.06 6.62 0.00 -0.43 -4.75 120.51 122.87 2bgr n ALA 707 Ca 0.01 -3.01 -0.41 0.00 0.00 0.00 0.00 53.44 50.02 2bgr n ALA 707 Cb 0.45 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 2bgr n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bgr s ASP 708 N -1.78 5.70 0.06 0.00 -1.08 -1.16 -4.32 116.67 114.09 2bgr s ASP 708 Ca 0.53 0.87 0.26 0.00 -0.52 0.00 0.00 52.55 53.69 2bgr s ASP 708 Cb 0.45 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.43 2bgr s ASP 708 CO 0.07 -1.94 1.82 -0.90 0.52 0.00 0.00 175.17 174.74 2bgr n ASP 709 N 11.08 0.22 0.00 -0.34 5.75 -1.26 -4.09 116.55 127.91 2bgr n ASP 709 Ca 0.21 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 2bgr n ASP 709 Cb 0.49 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2bgr n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2bgr n ASN 710 N -1.71 0.00 -4.39 -1.12 2.85 -1.26 -4.78 115.26 104.85 2bgr n ASN 710 Ca 0.06 0.01 -0.45 0.00 -0.11 0.00 0.00 54.58 54.10 2bgr n ASN 710 Cb 0.33 -0.40 -0.06 0.00 1.24 0.00 0.00 39.78 40.89 2bgr n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2bgr s VAL 711 N -0.80 5.06 0.50 3.44 1.01 -1.26 -4.83 120.40 123.52 2bgr s VAL 711 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 2bgr s VAL 711 Cb 0.00 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2bgr s VAL 711 CO 0.00 -0.78 1.22 -1.00 0.00 0.00 0.00 175.10 174.54 2bgr s HIS 712 N 2.09 2.65 0.39 5.22 3.76 -1.26 -4.72 115.29 123.42 2bgr s HIS 712 Ca 0.08 1.49 0.15 0.00 -0.15 0.00 0.00 55.06 56.63 2bgr s HIS 712 Cb -0.24 -3.50 1.00 0.00 1.11 0.00 0.00 32.58 30.96 2bgr s HIS 712 CO 0.07 -1.96 1.82 0.35 -0.85 0.00 0.00 174.74 174.18 2bgr h PHE 713 N 1.71 0.69 -0.77 1.40 3.57 -1.80 0.02 116.94 121.75 2bgr h PHE 713 Ca -0.50 0.02 0.32 0.00 3.53 0.00 0.00 57.97 61.34 2bgr h PHE 713 Cb 1.27 -0.21 -0.14 0.00 2.79 0.00 0.00 35.95 39.66 2bgr h PHE 713 CO 0.50 0.15 0.39 0.94 -2.23 0.00 0.00 178.31 178.06 2bgr n GLN 714 N -4.59 -0.05 -0.13 1.11 7.27 -1.26 -1.31 117.38 118.42 2bgr n GLN 714 Ca 0.21 1.08 -0.11 0.00 0.07 0.00 0.00 57.00 58.25 2bgr n GLN 714 Cb 0.70 -1.92 -0.02 0.00 2.41 0.00 0.00 30.24 31.42 2bgr n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2bgr h GLN 715 N 0.00 0.71 -0.11 3.69 4.20 -1.30 -0.82 115.11 121.48 2bgr h GLN 715 Ca 0.64 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.96 2bgr h GLN 715 Cb 1.68 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 2bgr h GLN 715 CO -0.61 0.81 -0.61 0.77 -0.67 0.00 0.00 178.83 178.52 2bgr h SER 716 N 0.53 0.44 -0.68 1.46 0.02 -1.47 -2.97 113.55 110.86 2bgr h SER 716 Ca 0.11 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2bgr h SER 716 Cb 0.51 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 2bgr h SER 716 CO 0.02 0.95 0.45 0.00 -1.14 0.00 0.00 176.83 177.11 2bgr h ALA 717 N 1.06 1.71 0.02 3.77 0.00 -0.87 -1.01 119.26 123.93 2bgr h ALA 717 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2bgr h ALA 717 Cb 1.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2bgr h ALA 717 CO 0.10 0.19 -0.97 1.96 0.00 0.00 0.00 179.25 180.53 2bgr h GLN 718 N 0.72 0.06 0.13 0.00 1.08 -1.12 -2.88 115.11 113.10 2bgr h GLN 718 Ca 0.29 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2bgr h GLN 718 Cb 0.22 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2bgr h GLN 718 CO -0.09 0.98 -0.06 0.82 -0.95 0.00 0.00 178.83 179.53 2bgr h ILE 719 N 0.02 0.93 -0.73 2.54 2.04 -1.27 -2.58 117.51 118.46 2bgr h ILE 719 Ca -0.03 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2bgr h ILE 719 Cb 1.68 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 2bgr h ILE 719 CO 0.13 0.05 0.46 0.77 0.00 0.00 0.00 178.15 179.56 2bgr h SER 720 N -0.26 0.75 -0.74 1.72 4.64 -1.25 -1.78 113.55 116.64 2bgr h SER 720 Ca -0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2bgr h SER 720 Cb 0.21 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2bgr h SER 720 CO 0.03 0.52 0.37 0.50 -0.87 0.00 0.00 176.83 177.38 2bgr h LYS 721 N 0.89 1.07 -0.49 4.77 3.64 -1.50 -0.02 116.57 124.93 2bgr h LYS 721 Ca 0.29 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2bgr h LYS 721 Cb 0.03 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2bgr h LYS 721 CO -0.11 0.81 -0.07 0.00 -2.27 0.00 0.00 179.45 177.82 2bgr h ALA 722 N 1.34 0.67 -0.33 5.00 0.00 -0.97 0.20 119.26 125.17 2bgr h ALA 722 Ca 0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2bgr h ALA 722 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bgr h ALA 722 CO -0.04 0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 179.57 2bgr h LEU 723 N 0.76 0.66 -0.55 0.00 3.38 -1.01 -2.76 115.31 115.78 2bgr h LEU 723 Ca 0.13 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.80 2bgr h LEU 723 Cb 0.60 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2bgr h LEU 723 CO 0.04 0.89 0.21 0.58 0.09 0.00 0.00 178.44 180.24 2bgr h VAL 724 N 0.43 0.81 0.00 1.22 2.07 -0.90 -1.15 116.25 118.73 2bgr h VAL 724 Ca 0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2bgr h VAL 724 Cb 0.61 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2bgr h VAL 724 CO 0.04 0.07 -0.03 0.44 0.02 0.00 0.00 177.57 178.11 2bgr h ASP 725 N 0.40 0.00 -0.14 0.57 3.32 -0.69 -2.03 116.42 117.84 2bgr h ASP 725 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2bgr h ASP 725 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2bgr h ASP 725 CO -0.27 0.03 0.00 0.55 -1.72 0.00 0.00 179.24 177.83 2bgr n VAL 726 N -3.28 0.28 -2.84 -1.35 3.14 -1.04 -5.00 118.33 108.25 2bgr n VAL 726 Ca -0.02 -0.64 -0.09 0.00 -2.96 0.00 0.00 64.34 60.63 2bgr n VAL 726 Cb 0.16 1.07 0.03 0.00 -1.06 0.00 0.00 33.84 34.04 2bgr n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bgr n GLY 727 N 0.80 0.32 3.53 7.55 0.00 -0.76 -4.98 105.19 111.64 2bgr n GLY 727 Ca 0.10 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2bgr n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bgr s VAL 728 N -3.04 4.31 0.30 1.61 1.01 -0.51 -5.04 120.40 119.05 2bgr s VAL 728 Ca 0.20 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 2bgr s VAL 728 Cb -0.09 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2bgr s VAL 728 CO 0.25 0.44 0.84 -0.62 0.00 0.00 0.00 175.10 176.01 2bgr s ASP 729 N 0.75 7.13 0.34 3.32 2.15 -1.26 -4.41 116.67 124.68 2bgr s ASP 729 Ca 0.02 1.61 -0.16 0.00 0.43 0.00 0.00 52.55 54.45 2bgr s ASP 729 Cb -0.14 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 40.02 2bgr s ASP 729 CO 0.02 -0.08 0.71 0.72 -0.17 0.00 0.00 175.17 176.37 2bgr s PHE 730 N -1.69 0.15 0.11 -5.34 -0.71 -1.26 -4.78 117.98 104.45 2bgr s PHE 730 Ca 0.49 -0.68 0.08 0.00 -1.04 0.00 0.00 56.93 55.78 2bgr s PHE 730 Cb -0.16 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 2bgr s PHE 730 CO 0.21 -1.38 -0.16 -0.65 -1.34 0.00 0.00 175.22 171.91 2bgr s GLN 731 N -3.03 1.91 0.05 1.99 -1.52 -0.27 -5.03 119.66 113.76 2bgr s GLN 731 Ca 0.16 -1.12 -0.06 0.00 -1.95 0.00 0.00 55.36 52.40 2bgr s GLN 731 Cb -0.04 -2.18 -0.01 0.00 -0.22 0.00 0.00 33.01 30.55 2bgr s GLN 731 CO 0.11 0.49 0.11 0.00 -0.25 0.00 0.00 175.29 175.75 2bgr s ALA 732 N -1.15 -0.02 -0.20 6.09 0.00 -1.26 -1.11 121.76 124.11 2bgr s ALA 732 Ca 0.19 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 2bgr s ALA 732 Cb -0.11 0.32 0.08 0.00 0.00 0.00 0.00 23.12 23.41 2bgr s ALA 732 CO 0.11 -0.38 0.44 1.41 0.00 0.00 0.00 175.76 177.34 2bgr s MET 733 N -3.19 0.39 0.16 0.00 1.75 -0.59 -4.93 119.30 112.89 2bgr s MET 733 Ca -0.00 0.96 -0.01 0.00 -1.25 0.00 0.00 55.69 55.39 2bgr s MET 733 Cb 0.02 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.84 2bgr s MET 733 CO -0.07 -0.20 0.34 1.67 -0.65 0.00 0.00 175.02 176.11 2bgr s TRP 734 N 2.04 3.49 -0.29 4.11 -2.14 -1.26 -2.52 118.94 122.37 2bgr s TRP 734 Ca -0.06 0.33 0.03 0.00 2.66 0.00 0.00 56.10 59.06 2bgr s TRP 734 Cb -0.10 -1.83 0.08 0.00 -3.10 0.00 0.00 33.47 28.51 2bgr s TRP 734 CO -0.14 0.45 -0.04 0.71 -2.66 0.00 0.00 176.95 175.27 2bgr s TYR 735 N -1.75 3.31 0.16 1.66 2.02 -0.79 -4.95 117.35 117.00 2bgr s TYR 735 Ca 0.38 -2.49 -0.31 0.00 -0.37 0.00 0.00 57.07 54.28 2bgr s TYR 735 Cb -0.12 -2.24 -0.09 0.00 -0.40 0.00 0.00 41.96 39.12 2bgr s TYR 735 CO 0.28 -0.89 1.42 -0.08 -1.57 0.00 0.00 175.55 174.70 2bgr s THR 736 N 1.08 3.05 0.00 -0.71 -1.32 -1.26 -1.69 115.64 114.79 2bgr s THR 736 Ca -0.01 0.79 0.00 0.00 -1.21 0.00 0.00 61.69 61.26 2bgr s THR 736 Cb -0.19 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 2bgr s THR 736 CO -0.07 0.08 0.00 0.47 -2.21 0.00 0.00 174.62 172.89 2bgr n ASP 737 N 3.46 -2.87 -4.83 8.08 8.00 -1.26 -4.88 116.55 122.25 2bgr n ASP 737 Ca 0.10 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.26 2bgr n ASP 737 Cb 0.41 -1.67 -0.06 0.00 -0.02 0.00 0.00 41.12 39.78 2bgr n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bgr s GLU 738 N -0.78 4.16 0.00 -1.24 0.41 -1.04 -4.65 118.70 115.56 2bgr s GLU 738 Ca 0.00 0.87 0.00 0.00 -0.41 0.00 0.00 54.97 55.43 2bgr s GLU 738 Cb 0.00 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 2bgr s GLU 738 CO 0.00 0.19 0.00 -0.40 -0.49 0.00 0.00 175.26 174.56 2bgr n ASP 739 N -0.08 0.05 0.25 -0.19 5.68 -1.26 -1.32 116.55 119.69 2bgr n ASP 739 Ca 0.03 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.42 2bgr n ASP 739 Cb 0.53 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.18 2bgr n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2bgr h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.92 -2.54 115.15 112.80 2bgr h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2bgr h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2bgr h HIS 740 CO 0.00 0.12 -0.32 0.41 -0.00 0.00 0.00 177.93 178.14 2bgr n GLY 741 N -0.91 -1.51 4.02 5.26 0.00 -1.26 -4.95 105.19 105.84 2bgr n GLY 741 Ca -0.02 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2bgr n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bgr n ILE 742 N -2.02 -1.74 0.18 -0.61 5.41 -0.96 -4.84 119.36 114.78 2bgr n ILE 742 Ca 0.05 -0.46 0.02 0.00 1.00 0.00 0.00 62.75 63.36 2bgr n ILE 742 Cb 0.41 -1.52 0.01 0.00 -0.71 0.00 0.00 39.64 37.83 2bgr n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bgr n ALA 743 N -4.23 2.49 -1.66 -1.39 0.00 -1.26 -3.58 120.51 110.89 2bgr n ALA 743 Ca -0.14 -0.42 -0.39 0.00 0.00 0.00 0.00 53.44 52.48 2bgr n ALA 743 Cb 0.49 -0.14 0.04 0.00 0.00 0.00 0.00 19.45 19.83 2bgr n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bgr n SER 744 N -0.10 1.57 -0.17 0.00 3.41 -1.26 -4.72 113.62 112.34 2bgr n SER 744 Ca 0.02 0.93 -0.03 0.00 -0.26 0.00 0.00 58.87 59.54 2bgr n SER 744 Cb 0.10 -1.44 0.04 0.00 -0.26 0.00 0.00 64.21 62.64 2bgr n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2bgr h SER 745 N 1.13 -0.53 -0.32 4.04 0.87 -2.00 0.38 113.55 117.12 2bgr h SER 745 Ca -0.48 0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.10 2bgr h SER 745 Cb 1.34 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2bgr h SER 745 CO 0.55 -0.19 -0.34 0.71 -0.53 0.00 0.00 176.83 177.03 2bgr h THR 746 N -0.02 1.29 -0.49 2.23 1.35 -1.98 -2.86 112.91 112.44 2bgr h THR 746 Ca 0.25 -1.51 -0.11 0.00 -0.55 0.00 0.00 66.41 64.49 2bgr h THR 746 Cb 0.40 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 2bgr h THR 746 CO -0.55 0.49 -0.13 0.00 -0.25 0.00 0.00 175.52 175.08 2bgr h ALA 747 N 0.73 0.85 -0.13 6.62 0.00 -1.83 -1.63 119.26 123.87 2bgr h ALA 747 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2bgr h ALA 747 Cb 0.92 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2bgr h ALA 747 CO 0.08 0.65 -0.09 1.25 0.00 0.00 0.00 179.25 181.14 2bgr h HIS 748 N 0.81 -0.21 -0.94 0.00 2.76 -0.95 -0.78 115.15 115.83 2bgr h HIS 748 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2bgr h HIS 748 Cb 0.67 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 2bgr h HIS 748 CO 0.04 -0.14 0.59 1.96 -1.30 0.00 0.00 177.93 179.09 2bgr h GLN 749 N -0.09 1.26 -0.31 5.26 4.20 -1.41 -2.88 115.11 121.14 2bgr h GLN 749 Ca 0.08 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 2bgr h GLN 749 Cb 0.21 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2bgr h GLN 749 CO -0.19 0.86 -0.22 1.25 -0.67 0.00 0.00 178.83 179.86 2bgr h HIS 750 N 1.29 0.83 -0.32 2.96 2.76 -0.97 -2.15 115.15 119.55 2bgr h HIS 750 Ca 0.34 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2bgr h HIS 750 Cb -0.10 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 2bgr h HIS 750 CO 0.00 0.96 0.06 0.97 -1.30 0.00 0.00 177.93 178.62 2bgr h ILE 751 N 0.47 1.23 -0.09 6.26 2.10 -1.13 -0.48 117.51 125.87 2bgr h ILE 751 Ca 0.06 -0.79 -0.13 0.00 1.08 0.00 0.00 64.86 65.08 2bgr h ILE 751 Cb 0.78 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 2bgr h ILE 751 CO 0.06 0.26 -0.53 1.88 -1.08 0.00 0.00 178.15 178.75 2bgr h TYR 752 N 0.36 0.29 -0.43 2.19 0.05 -1.56 0.16 116.97 118.04 2bgr h TYR 752 Ca 0.10 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2bgr h TYR 752 Cb 0.33 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2bgr h TYR 752 CO 0.02 0.71 0.14 1.15 -1.05 0.00 0.00 178.16 179.14 2bgr h THR 753 N 0.19 1.22 -0.19 -2.88 2.02 -1.27 -1.58 112.91 110.42 2bgr h THR 753 Ca 0.00 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2bgr h THR 753 Cb 0.99 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2bgr h THR 753 CO 0.08 0.26 -0.02 -0.74 0.37 0.00 0.00 175.52 175.46 2bgr h HIS 754 N 0.56 0.39 -0.71 3.16 -0.00 -0.67 -2.62 115.15 115.26 2bgr h HIS 754 Ca 0.14 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2bgr h HIS 754 Cb 0.25 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 2bgr h HIS 754 CO 0.01 0.58 0.37 0.52 -0.00 0.00 0.00 177.93 179.41 2bgr h MET 755 N 0.09 0.99 -0.33 5.26 2.07 -1.02 -2.44 114.93 119.56 2bgr h MET 755 Ca 0.05 -0.12 -0.02 0.00 -2.07 0.00 0.00 59.70 57.55 2bgr h MET 755 Cb 0.44 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 2bgr h MET 755 CO 0.01 0.74 0.14 0.77 1.07 0.00 0.00 176.91 179.65 2bgr h SER 756 N 0.99 0.44 -0.93 1.22 0.02 -1.13 -1.27 113.55 112.89 2bgr h SER 756 Ca 0.25 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2bgr h SER 756 Cb 0.06 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 2bgr h SER 756 CO -0.04 0.46 0.60 0.45 -1.14 0.00 0.00 176.83 177.17 2bgr h HIS 757 N 0.38 1.13 0.02 3.45 3.86 -1.30 -1.56 115.15 121.15 2bgr h HIS 757 Ca 0.11 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2bgr h HIS 757 Cb 0.15 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2bgr h HIS 757 CO -0.01 0.65 -0.01 0.35 0.86 0.00 0.00 177.93 179.76 2bgr h PHE 758 N 1.17 -0.03 -0.77 2.45 3.57 -1.02 -1.92 116.94 120.39 2bgr h PHE 758 Ca 0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 2bgr h PHE 758 Cb 0.02 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2bgr h PHE 758 CO -0.01 0.21 0.42 0.82 -2.23 0.00 0.00 178.31 177.51 2bgr h ILE 759 N -0.26 1.23 -0.49 1.41 1.08 -1.17 -1.28 117.51 118.05 2bgr h ILE 759 Ca -0.00 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 2bgr h ILE 759 Cb 0.24 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2bgr h ILE 759 CO 0.00 0.26 0.18 0.11 -0.69 0.00 0.00 178.15 178.02 2bgr h LYS 760 N 1.07 0.74 -0.01 2.37 1.57 -1.27 -1.67 116.57 119.37 2bgr h LYS 760 Ca 0.27 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2bgr h LYS 760 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2bgr h LYS 760 CO -0.04 0.67 -0.08 0.37 -0.57 0.00 0.00 179.45 179.80 2bgr h GLN 761 N 0.65 -0.13 -0.89 3.15 -0.00 -1.21 0.43 115.11 117.11 2bgr h GLN 761 Ca 0.16 0.01 0.17 0.00 -0.00 0.00 0.00 58.65 58.98 2bgr h GLN 761 Cb 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 27.63 2bgr h GLN 761 CO -0.01 -0.08 0.47 0.00 0.00 0.00 0.00 178.83 179.21 2bgr n PHE 763 N -4.87 0.54 -3.77 0.00 3.72 -0.64 -4.94 117.46 107.49 2bgr n PHE 763 Ca 0.19 -0.27 -0.26 0.00 -0.05 0.00 0.00 57.45 57.06 2bgr n PHE 763 Cb 0.49 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.08 2bgr n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2bgr n SER 764 N 1.03 -4.42 -4.74 4.37 7.64 -0.59 -4.99 113.62 111.92 2bgr n SER 764 Ca 0.18 -0.72 -0.35 0.00 1.01 0.00 0.00 58.87 58.99 2bgr n SER 764 Cb 0.47 -4.27 -0.08 0.00 -1.01 0.00 0.00 64.21 59.32 2bgr n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bgr s LEU 765 N -7.14 4.09 0.00 -3.43 1.43 0.14 -5.02 118.68 108.76 2bgr s LEU 765 Ca 0.49 0.24 0.28 0.00 -1.03 0.00 0.00 54.13 54.11 2bgr s LEU 765 Cb -0.24 -2.02 1.00 0.00 0.03 0.00 0.00 46.19 44.96 2bgr s LEU 765 CO 0.80 0.25 1.72 -0.81 0.23 0.00 0.00 176.35 178.54