#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bm4 s GLN 3 N 0.00 -0.02 -0.15 2.61 0.74 -1.26 -1.67 119.66 119.91 2bm4 s GLN 3 Ca 0.00 0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.81 2bm4 s GLN 3 Cb 0.00 -0.36 0.01 0.00 1.10 0.00 0.00 33.01 33.76 2bm4 s GLN 3 CO 0.00 -0.27 -0.19 -1.58 -0.55 0.00 0.00 175.29 172.70 2bm4 s TRP 4 N 1.85 2.71 -0.06 1.67 0.51 0.60 -4.99 118.94 121.23 2bm4 s TRP 4 Ca -0.00 -1.24 0.04 0.00 -2.12 0.00 0.00 56.10 52.78 2bm4 s TRP 4 Cb -0.12 -1.85 -0.00 0.00 -0.81 0.00 0.00 33.47 30.69 2bm4 s TRP 4 CO -0.04 -0.57 -0.19 0.08 -0.51 0.00 0.00 176.95 175.72 2bm4 s VAL 5 N 0.83 1.61 -1.68 4.03 1.01 -1.26 -1.45 120.40 123.48 2bm4 s VAL 5 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2bm4 s VAL 5 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2bm4 s VAL 5 CO -0.02 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.01 2bm4 n ASP 6 N 3.29 -4.71 -4.80 3.32 8.00 -0.43 -4.95 116.55 116.26 2bm4 n ASP 6 Ca -0.19 0.29 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 2bm4 n ASP 6 Cb 0.53 -4.13 -0.06 0.00 -0.02 0.00 0.00 41.12 37.43 2bm4 n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bm4 s GLU 8 N -2.66 1.08 -0.04 0.00 2.12 -1.26 -0.11 118.70 117.82 2bm4 s GLU 8 Ca 0.57 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.86 2bm4 s GLU 8 Cb -0.15 -1.28 0.00 0.00 0.26 0.00 0.00 34.13 32.96 2bm4 s GLU 8 CO 0.20 -0.28 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.45 2bm4 s PHE 9 N 1.80 1.40 -0.09 5.30 0.08 -0.17 -5.01 117.98 121.29 2bm4 s PHE 9 Ca 0.04 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2bm4 s PHE 9 Cb -0.12 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2bm4 s PHE 9 CO -0.06 -0.17 -0.10 0.99 -0.10 0.00 0.00 175.22 175.77 2bm4 s THR 10 N 0.24 1.11 -0.23 0.64 2.01 -1.26 -1.01 115.64 117.13 2bm4 s THR 10 Ca -0.06 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2bm4 s THR 10 Cb -0.12 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.33 2bm4 s THR 10 CO 0.02 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2bm4 n GLY 11 N 4.33 0.56 3.80 4.40 0.00 -0.66 -4.99 105.19 112.63 2bm4 n GLY 11 Ca -0.18 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2bm4 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bm4 s ARG 12 N -1.42 3.71 -0.38 1.61 1.81 -1.26 -4.85 118.95 118.17 2bm4 s ARG 12 Ca 0.00 1.29 -0.12 0.00 -1.72 0.00 0.00 55.73 55.17 2bm4 s ARG 12 Cb 0.00 -2.09 0.02 0.00 -0.45 0.00 0.00 34.95 32.44 2bm4 s ARG 12 CO 0.00 -0.50 0.24 0.34 -0.68 0.00 0.00 175.30 174.70 2bm4 s ASP 13 N -2.25 5.87 0.00 0.23 2.15 -1.26 -1.29 116.67 120.11 2bm4 s ASP 13 Ca 0.66 -0.92 0.08 0.00 0.43 0.00 0.00 52.55 52.79 2bm4 s ASP 13 Cb -0.16 -2.07 0.16 0.00 -0.30 0.00 0.00 42.92 40.55 2bm4 s ASP 13 CO 0.24 -0.39 1.01 0.49 -0.17 0.00 0.00 175.17 176.35 2bm4 n PHE 14 N 5.06 0.20 -1.46 -5.34 3.72 0.21 -4.97 117.46 114.87 2bm4 n PHE 14 Ca -0.12 -0.31 -0.50 0.00 -0.05 0.00 0.00 57.45 56.47 2bm4 n PHE 14 Cb 0.47 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 2bm4 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2bm4 n ARG 15 N 0.30 0.25 -0.71 -1.08 1.74 -0.94 -2.06 116.66 114.17 2bm4 n ARG 15 Ca 0.07 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2bm4 n ARG 15 Cb 0.31 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2bm4 n ARG 15 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2bm4 n ASP 16 N 1.82 -0.91 -4.80 0.55 8.00 -0.13 -4.89 116.55 116.19 2bm4 n ASP 16 Ca 0.17 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.34 2bm4 n ASP 16 Cb 0.21 -1.94 -0.02 0.00 -0.02 0.00 0.00 41.12 39.36 2bm4 n ASP 16 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bm4 s GLU 17 N -0.84 3.61 -0.50 -1.24 2.02 -0.88 -4.79 118.70 116.09 2bm4 s GLU 17 Ca 0.00 1.33 -0.17 0.00 0.02 0.00 0.00 54.97 56.15 2bm4 s GLU 17 Cb 0.00 -2.07 0.08 0.00 0.10 0.00 0.00 34.13 32.24 2bm4 s GLU 17 CO 0.00 -0.58 0.50 0.34 0.02 0.00 0.00 175.26 175.54 2bm4 s ASP 18 N -2.22 6.18 -0.23 -0.19 2.15 -1.26 -1.07 116.67 120.03 2bm4 s ASP 18 Ca 0.67 -1.24 0.14 0.00 0.43 0.00 0.00 52.55 52.55 2bm4 s ASP 18 Cb -0.17 -2.23 0.62 0.00 -0.30 0.00 0.00 42.92 40.84 2bm4 s ASP 18 CO 0.26 -0.78 1.55 0.18 -0.17 0.00 0.00 175.17 176.21 2bm4 n LEU 19 N 5.61 4.62 -4.69 -1.34 4.77 0.10 -4.94 117.00 121.13 2bm4 n LEU 19 Ca -0.10 -3.13 -0.43 0.00 -0.03 0.00 0.00 56.01 52.32 2bm4 n LEU 19 Cb 0.44 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2bm4 n LEU 19 CO 0.51 0.75 0.92 -1.54 -1.33 0.00 0.00 177.39 176.70 2bm4 n SER 20 N -0.33 2.77 -0.10 -1.43 3.41 0.03 -0.81 113.62 117.17 2bm4 n SER 20 Ca 0.27 1.20 -0.01 0.00 -0.26 0.00 0.00 58.87 60.07 2bm4 n SER 20 Cb 1.05 -1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 2bm4 n SER 20 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bm4 n ARG 21 N 0.80 -1.35 -1.70 4.33 1.74 0.07 -4.87 116.66 115.67 2bm4 n ARG 21 Ca 0.06 0.40 -0.39 0.00 -0.77 0.00 0.00 57.85 57.15 2bm4 n ARG 21 Cb 0.35 -4.45 0.03 0.00 -1.02 0.00 0.00 32.46 27.38 2bm4 n ARG 21 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2bm4 n LEU 22 N -0.15 4.57 -4.14 0.55 7.94 0.01 -4.53 117.00 121.26 2bm4 n LEU 22 Ca -0.01 1.01 -0.32 0.00 -1.11 0.00 0.00 56.01 55.57 2bm4 n LEU 22 Cb 0.36 -1.51 -0.16 0.00 0.53 0.00 0.00 43.42 42.63 2bm4 n LEU 22 CO 0.02 -0.82 -0.53 -1.00 -1.11 0.00 0.00 177.39 173.94 2bm4 s HIS 23 N -1.29 2.65 0.11 1.96 3.76 -0.67 -0.23 115.29 121.59 2bm4 s HIS 23 Ca 0.68 -1.43 0.11 0.00 -0.15 0.00 0.00 55.06 54.26 2bm4 s HIS 23 Cb -0.46 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 2bm4 s HIS 23 CO 0.53 -0.68 -0.27 0.95 -0.85 0.00 0.00 174.74 174.42 2bm4 s THR 24 N 1.02 2.23 -0.09 1.30 -4.23 0.01 -0.29 115.64 115.60 2bm4 s THR 24 Ca -0.02 -1.67 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 2bm4 s THR 24 Cb -0.14 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.77 2bm4 s THR 24 CO -0.06 0.15 0.05 -0.70 -0.54 0.00 0.00 174.62 173.53 2bm4 s GLU 25 N -1.87 0.16 -1.47 3.99 2.12 -0.53 -1.31 118.70 119.80 2bm4 s GLU 25 Ca 0.13 0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.50 2bm4 s GLU 25 Cb -0.10 -1.08 0.05 0.00 0.26 0.00 0.00 34.13 33.26 2bm4 s GLU 25 CO 0.05 -0.44 0.85 0.54 -0.54 0.00 0.00 175.26 175.73 2bm4 n ARG 26 N 5.24 -5.44 -3.16 4.30 1.74 0.01 -1.32 116.66 118.04 2bm4 n ARG 26 Ca -0.05 0.68 -0.38 0.00 -0.77 0.00 0.00 57.85 57.33 2bm4 n ARG 26 Cb 0.49 -5.56 -0.06 0.00 -1.02 0.00 0.00 32.46 26.31 2bm4 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bm4 s ALA 27 N -3.21 3.49 -0.27 7.54 0.00 -1.26 -3.46 121.76 124.60 2bm4 s ALA 27 Ca 0.53 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2bm4 s ALA 27 Cb -0.26 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2bm4 s ALA 27 CO 0.66 0.36 -0.04 1.41 0.00 0.00 0.00 175.76 178.14 2bm4 s MET 28 N -1.52 2.56 -0.23 0.00 0.00 0.84 0.61 119.30 121.57 2bm4 s MET 28 Ca 0.36 -1.16 -0.03 0.00 0.00 0.00 0.00 55.69 54.86 2bm4 s MET 28 Cb -0.19 -3.05 0.01 0.00 0.00 0.00 0.00 34.83 31.60 2bm4 s MET 28 CO 0.21 -0.52 -0.06 -0.06 0.00 0.00 0.00 175.02 174.60 2bm4 s PHE 29 N 1.26 2.98 -0.12 4.11 0.08 0.28 -1.00 117.98 125.57 2bm4 s PHE 29 Ca -0.04 -1.21 0.03 0.00 0.12 0.00 0.00 56.93 55.83 2bm4 s PHE 29 Cb -0.18 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2bm4 s PHE 29 CO -0.03 -0.64 -0.21 0.45 -0.10 0.00 0.00 175.22 174.69 2bm4 s SER 30 N 1.41 2.94 -1.58 1.36 0.15 -0.18 0.19 113.70 117.99 2bm4 s SER 30 Ca 0.04 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 55.98 2bm4 s SER 30 Cb -0.15 -1.35 0.11 0.00 -1.71 0.00 0.00 66.02 62.92 2bm4 s SER 30 CO -0.04 0.09 0.88 -0.62 1.20 0.00 0.00 173.24 174.74 2bm4 n GLU 31 N 3.94 -4.51 -3.85 5.44 4.71 0.06 -1.65 120.64 124.78 2bm4 n GLU 31 Ca -0.20 0.51 -0.30 0.00 -0.01 0.00 0.00 57.16 57.16 2bm4 n GLU 31 Cb 0.52 -5.34 -0.04 0.00 -1.01 0.00 0.00 31.44 25.57 2bm4 n GLU 31 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bm4 s ASP 33 N -2.66 5.73 -0.32 0.00 -1.08 -0.41 -0.30 116.67 117.63 2bm4 s ASP 33 Ca 0.37 -0.82 0.09 0.00 -0.52 0.00 0.00 52.55 51.66 2bm4 s ASP 33 Cb -0.12 -2.04 0.58 0.00 -1.46 0.00 0.00 42.92 39.88 2bm4 s ASP 33 CO 0.27 -0.33 1.62 0.49 0.52 0.00 0.00 175.17 177.75 2bm4 n PHE 34 N 5.01 1.77 -2.30 -5.34 3.72 0.27 -0.62 117.46 119.97 2bm4 n PHE 34 Ca -0.12 -1.53 -0.39 0.00 -0.05 0.00 0.00 57.45 55.36 2bm4 n PHE 34 Cb 0.47 -0.62 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 2bm4 n PHE 34 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2bm4 s SER 35 N -1.95 6.70 0.00 4.37 0.01 -1.16 -2.55 113.70 119.11 2bm4 s SER 35 Ca 0.49 2.38 0.00 0.00 1.31 0.00 0.00 55.95 60.13 2bm4 s SER 35 Cb 0.42 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2bm4 s SER 35 CO 0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2bm4 n GLY 36 N 0.75 1.12 3.78 3.44 0.00 0.41 -0.96 105.19 113.73 2bm4 n GLY 36 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2bm4 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bm4 s VAL 37 N -2.51 3.36 -0.48 1.61 1.01 -1.06 -4.03 120.40 118.30 2bm4 s VAL 37 Ca 0.00 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 2bm4 s VAL 37 Cb 0.00 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.96 2bm4 s VAL 37 CO 0.00 -0.03 0.40 0.21 0.00 0.00 0.00 175.10 175.68 2bm4 s ASN 38 N -1.49 6.13 -0.12 3.32 3.84 -0.23 -1.41 114.94 124.98 2bm4 s ASN 38 Ca 0.62 -1.39 0.15 0.00 0.21 0.00 0.00 52.86 52.45 2bm4 s ASN 38 Cb -0.25 -2.18 0.46 0.00 -0.55 0.00 0.00 41.25 38.73 2bm4 s ASN 38 CO 0.31 -0.67 1.37 0.18 -2.79 0.00 0.00 177.10 175.51 2bm4 n LEU 39 N 5.19 3.60 -4.63 3.21 4.77 0.76 0.03 117.00 129.92 2bm4 n LEU 39 Ca -0.12 -2.65 -0.44 0.00 -0.03 0.00 0.00 56.01 52.76 2bm4 n LEU 39 Cb 0.43 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2bm4 n LEU 39 CO 0.48 0.70 0.76 0.00 -1.33 0.00 0.00 177.39 177.99 2bm4 n ALA 40 N -0.10 0.38 -1.83 -1.18 0.00 -1.05 -2.33 120.51 114.39 2bm4 n ALA 40 Ca 0.18 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.82 2bm4 n ALA 40 Cb 0.73 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 2bm4 n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bm4 n GLU 41 N 1.03 -1.54 -1.99 0.00 1.02 -0.37 -0.75 120.64 118.04 2bm4 n GLU 41 Ca 0.09 1.08 -0.29 0.00 -0.02 0.00 0.00 57.16 58.01 2bm4 n GLU 41 Cb 0.32 -5.53 0.04 0.00 -0.02 0.00 0.00 31.44 26.25 2bm4 n GLU 41 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2bm4 s SER 42 N -2.45 5.53 -0.04 1.62 1.04 -0.98 -3.76 113.70 114.65 2bm4 s SER 42 Ca 0.00 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2bm4 s SER 42 Cb 0.00 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 64.23 2bm4 s SER 42 CO 0.00 -1.25 -0.01 -1.10 0.98 0.00 0.00 173.24 171.86 2bm4 s GLN 43 N -5.27 0.51 -0.02 4.02 -0.21 0.68 -1.15 119.66 118.22 2bm4 s GLN 43 Ca 0.57 0.04 0.03 0.00 0.02 0.00 0.00 55.36 56.02 2bm4 s GLN 43 Cb -0.11 -0.70 -0.00 0.00 1.00 0.00 0.00 33.01 33.20 2bm4 s GLN 43 CO 0.50 -0.16 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.39 2bm4 s HIS 44 N 1.25 1.09 -0.09 0.91 3.76 0.36 -0.81 115.29 121.77 2bm4 s HIS 44 Ca -0.06 -0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2bm4 s HIS 44 Cb -0.13 -0.75 0.04 0.00 1.11 0.00 0.00 32.58 32.84 2bm4 s HIS 44 CO -0.02 -0.09 0.04 0.50 -0.85 0.00 0.00 174.74 174.32 2bm4 s ARG 45 N 0.07 0.27 -1.45 1.40 3.52 -0.43 -1.12 118.95 121.22 2bm4 s ARG 45 Ca -0.02 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2bm4 s ARG 45 Cb -0.08 -1.09 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 2bm4 s ARG 45 CO 0.01 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 2bm4 n GLY 46 N 5.21 1.22 3.98 8.12 0.00 -0.34 -0.81 105.19 122.57 2bm4 n GLY 46 Ca -0.06 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2bm4 n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bm4 s SER 47 N -2.78 5.40 -0.02 1.61 0.01 -1.26 -3.49 113.70 113.17 2bm4 s SER 47 Ca 0.00 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2bm4 s SER 47 Cb 0.00 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.33 2bm4 s SER 47 CO 0.00 -1.03 -0.05 0.00 0.41 0.00 0.00 173.24 172.57 2bm4 s ALA 48 N -2.66 0.56 -0.65 1.44 0.00 0.20 -1.77 121.76 118.88 2bm4 s ALA 48 Ca 0.56 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.42 2bm4 s ALA 48 Cb -0.10 -0.25 0.16 0.00 0.00 0.00 0.00 23.12 22.92 2bm4 s ALA 48 CO 0.37 0.06 0.43 -0.06 0.00 0.00 0.00 175.76 176.57 2bm4 s PHE 49 N 0.35 3.31 -0.18 0.00 0.08 0.30 0.10 117.98 121.95 2bm4 s PHE 49 Ca -0.04 -3.23 -0.19 0.00 0.12 0.00 0.00 56.93 53.59 2bm4 s PHE 49 Cb -0.08 -2.60 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 2bm4 s PHE 49 CO -0.00 -0.60 0.55 0.50 -0.10 0.00 0.00 175.22 175.57 2bm4 s ARG 50 N -1.10 4.22 -1.10 0.44 3.52 0.13 -3.44 118.95 121.61 2bm4 s ARG 50 Ca 0.24 0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 56.26 2bm4 s ARG 50 Cb -0.09 -3.55 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 2bm4 s ARG 50 CO -0.13 -0.13 0.34 0.09 -0.81 0.00 0.00 175.30 174.66 2bm4 n ASN 51 N 4.69 -3.24 -4.91 -2.12 5.03 0.21 -0.76 115.26 114.16 2bm4 n ASN 51 Ca -0.04 -0.22 -0.27 0.00 0.87 0.00 0.00 54.58 54.92 2bm4 n ASN 51 Cb 0.50 -2.73 0.03 0.00 -1.02 0.00 0.00 39.78 36.57 2bm4 n ASN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2bm4 s THR 53 N -3.06 3.05 -0.64 0.00 2.01 0.59 -1.45 115.64 116.14 2bm4 s THR 53 Ca 0.55 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.97 2bm4 s THR 53 Cb -0.11 -2.34 0.17 0.00 0.01 0.00 0.00 72.50 70.23 2bm4 s THR 53 CO 0.46 0.47 0.45 -0.36 -0.69 0.00 0.00 174.62 174.95 2bm4 s PHE 54 N 1.12 3.05 -0.19 4.92 0.08 -0.07 0.97 117.98 127.86 2bm4 s PHE 54 Ca 0.01 -3.12 -0.09 0.00 0.12 0.00 0.00 56.93 53.85 2bm4 s PHE 54 Cb -0.14 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 2bm4 s PHE 54 CO -0.03 -0.61 0.10 -1.21 -0.10 0.00 0.00 175.22 173.37 2bm4 s GLU 55 N -1.07 4.08 -1.55 0.44 2.02 -1.26 -0.92 118.70 120.43 2bm4 s GLU 55 Ca 0.26 -0.28 -0.10 0.00 0.02 0.00 0.00 54.97 54.87 2bm4 s GLU 55 Cb -0.05 -3.32 0.08 0.00 0.10 0.00 0.00 34.13 30.94 2bm4 s GLU 55 CO -0.16 0.28 0.62 0.54 0.02 0.00 0.00 175.26 176.56 2bm4 n ARG 56 N 3.54 -3.38 -3.72 1.61 1.74 0.91 -0.44 116.66 116.93 2bm4 n ARG 56 Ca -0.16 0.40 -0.36 0.00 -0.77 0.00 0.00 57.85 56.96 2bm4 n ARG 56 Cb 0.52 -4.84 -0.06 0.00 -1.02 0.00 0.00 32.46 27.06 2bm4 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2bm4 s THR 57 N -3.61 5.27 -0.27 0.55 2.01 -1.26 -3.26 115.64 115.06 2bm4 s THR 57 Ca 0.39 0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.61 2bm4 s THR 57 Cb -0.21 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2bm4 s THR 57 CO 0.90 0.43 0.15 -0.89 -0.69 0.00 0.00 174.62 174.53 2bm4 s THR 58 N -1.23 4.96 -0.55 -0.82 2.01 -0.50 -1.08 115.64 118.43 2bm4 s THR 58 Ca 0.25 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.36 2bm4 s THR 58 Cb -0.14 -3.35 0.15 0.00 0.01 0.00 0.00 72.50 69.17 2bm4 s THR 58 CO 0.14 0.28 1.07 0.18 -0.69 0.00 0.00 174.62 175.60 2bm4 n LEU 59 N 5.01 2.36 -4.53 4.42 4.77 0.12 -0.17 117.00 128.98 2bm4 n LEU 59 Ca -0.15 -1.84 -0.57 0.00 -0.03 0.00 0.00 56.01 53.42 2bm4 n LEU 59 Cb 0.52 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2bm4 n LEU 59 CO 0.32 0.58 0.67 1.87 -1.33 0.00 0.00 177.39 179.50 2bm4 n TRP 60 N 0.11 0.89 -1.91 -1.77 -0.00 -1.04 -2.28 117.44 111.43 2bm4 n TRP 60 Ca 0.06 0.95 -0.19 0.00 -0.00 0.00 0.00 57.50 58.32 2bm4 n TRP 60 Cb 0.32 -2.16 -0.05 0.00 -0.00 0.00 0.00 31.31 29.42 2bm4 n TRP 60 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2bm4 n HIS 61 N 1.81 -0.40 -2.85 5.87 8.25 0.75 -1.23 115.22 127.42 2bm4 n HIS 61 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.44 2bm4 n HIS 61 Cb 0.11 -3.42 0.08 0.00 1.12 0.00 0.00 29.99 27.88 2bm4 n HIS 61 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bm4 s SER 62 N -2.51 4.76 -0.02 0.41 1.04 -0.96 -3.70 113.70 112.72 2bm4 s SER 62 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2bm4 s SER 62 Cb 0.00 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2bm4 s SER 62 CO 0.00 -1.58 0.02 -0.89 0.98 0.00 0.00 173.24 171.78 2bm4 s THR 63 N -2.87 0.02 -0.15 2.02 2.01 -0.30 -0.74 115.64 115.63 2bm4 s THR 63 Ca 0.64 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.82 2bm4 s THR 63 Cb -0.05 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.33 2bm4 s THR 63 CO 0.41 0.11 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.96 2bm4 s PHE 64 N 1.09 2.12 -0.12 4.92 0.08 -0.25 -0.49 117.98 125.33 2bm4 s PHE 64 Ca -0.09 -1.20 0.02 0.00 0.12 0.00 0.00 56.93 55.78 2bm4 s PHE 64 Cb -0.13 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2bm4 s PHE 64 CO -0.03 -0.66 -0.18 0.00 -0.10 0.00 0.00 175.22 174.25 2bm4 s ALA 65 N 1.50 1.94 -1.41 5.36 0.00 -0.27 -0.10 121.76 128.78 2bm4 s ALA 65 Ca 0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2bm4 s ALA 65 Cb -0.13 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.11 2bm4 s ALA 65 CO -0.10 -0.07 0.68 1.04 0.00 0.00 0.00 175.76 177.31 2bm4 n GLN 66 N 4.17 -4.48 -4.23 0.00 3.00 -0.31 -1.20 117.38 114.34 2bm4 n GLN 66 Ca -0.19 0.54 -0.23 0.00 -0.01 0.00 0.00 57.00 57.11 2bm4 n GLN 66 Cb 0.51 -5.05 -0.06 0.00 0.00 0.00 0.00 30.24 25.64 2bm4 n GLN 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bm4 s SER 68 N -3.69 3.20 -0.20 0.00 0.15 -0.73 -0.73 113.70 111.70 2bm4 s SER 68 Ca 0.32 -0.47 0.13 0.00 0.70 0.00 0.00 55.95 56.62 2bm4 s SER 68 Cb -0.07 -0.86 0.41 0.00 -1.71 0.00 0.00 66.02 63.79 2bm4 s SER 68 CO 0.22 0.25 1.26 0.23 1.20 0.00 0.00 173.24 176.40 2bm4 n MET 69 N 2.90 1.63 -1.72 5.44 2.81 0.21 -0.54 117.12 127.85 2bm4 n MET 69 Ca -0.17 -3.10 -0.64 0.00 -1.81 0.00 0.00 57.70 51.98 2bm4 n MET 69 Cb 0.52 -1.64 -0.09 0.00 -0.71 0.00 0.00 33.22 31.30 2bm4 n MET 69 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2bm4 n LEU 70 N -1.16 1.52 0.00 4.03 7.94 -1.22 -0.98 117.00 127.13 2bm4 n LEU 70 Ca 0.21 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 2bm4 n LEU 70 Cb 0.75 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.73 2bm4 n LEU 70 CO 0.02 -0.78 0.00 0.61 -1.11 0.00 0.00 177.39 176.14 2bm4 n GLY 71 N 3.89 0.31 3.79 -3.96 0.00 -0.12 0.63 105.19 109.73 2bm4 n GLY 71 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 2bm4 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bm4 s SER 72 N -2.25 5.62 -0.15 1.61 0.01 -0.15 -4.10 113.70 114.29 2bm4 s SER 72 Ca 0.00 1.89 -0.01 0.00 1.31 0.00 0.00 55.95 59.14 2bm4 s SER 72 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2bm4 s SER 72 CO 0.00 -1.28 -0.10 -0.69 0.41 0.00 0.00 173.24 171.58 2bm4 s VAL 73 N -2.36 3.26 -0.22 3.43 1.01 -0.53 -0.88 120.40 124.11 2bm4 s VAL 73 Ca 0.65 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2bm4 s VAL 73 Cb -0.18 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.83 2bm4 s VAL 73 CO 0.37 0.51 -0.12 -0.36 0.00 0.00 0.00 175.10 175.50 2bm4 s PHE 74 N 0.48 2.98 -0.16 5.22 0.08 -0.41 -0.90 117.98 125.27 2bm4 s PHE 74 Ca -0.07 -1.64 0.01 0.00 0.12 0.00 0.00 56.93 55.34 2bm4 s PHE 74 Cb -0.15 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2bm4 s PHE 74 CO 0.04 -0.76 -0.19 0.08 -0.10 0.00 0.00 175.22 174.29 2bm4 s VAL 75 N 1.29 1.90 -1.28 -0.44 1.01 -0.10 -4.58 120.40 118.21 2bm4 s VAL 75 Ca 0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2bm4 s VAL 75 Cb -0.16 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2bm4 s VAL 75 CO -0.08 0.52 0.55 0.00 0.00 0.00 0.00 175.10 176.09 2bm4 n ALA 76 N 4.51 -2.38 -2.95 5.51 0.00 -1.26 -0.06 120.51 123.88 2bm4 n ALA 76 Ca -0.20 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 2bm4 n ALA 76 Cb 0.50 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 2bm4 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bm4 s ARG 78 N -3.53 3.11 -0.20 0.00 0.52 -0.24 -4.74 118.95 113.88 2bm4 s ARG 78 Ca 0.34 -0.87 0.16 0.00 -0.52 0.00 0.00 55.73 54.85 2bm4 s ARG 78 Cb -0.10 -4.22 0.53 0.00 0.52 0.00 0.00 34.95 31.68 2bm4 s ARG 78 CO 0.29 -1.77 1.44 1.28 0.02 0.00 0.00 175.30 176.56 2bm4 n LEU 79 N 7.52 3.96 -3.61 2.53 4.32 -1.26 0.13 117.00 130.59 2bm4 n LEU 79 Ca -0.04 -3.11 -0.14 0.00 -0.02 0.00 0.00 56.01 52.70 2bm4 n LEU 79 Cb 0.45 -0.56 -0.07 0.00 -1.62 0.00 0.00 43.42 41.62 2bm4 n LEU 79 CO 0.63 0.74 0.49 0.00 -1.22 0.00 0.00 177.39 178.03 2bm4 s ARG 80 N -2.89 0.81 0.52 3.23 1.70 -1.26 -4.43 118.95 116.64 2bm4 s ARG 80 Ca 0.43 0.77 -0.08 0.00 -0.47 0.00 0.00 55.73 56.39 2bm4 s ARG 80 Cb 0.35 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 35.09 2bm4 s ARG 80 CO 0.08 -0.14 0.87 -1.25 -1.08 0.00 0.00 175.30 173.78 2bm4 s PRO 81 N 0.03 3.58 0.21 3.89 0.04 -1.26 -4.77 135.00 136.71 2bm4 s PRO 81 Ca -0.01 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.21 2bm4 s PRO 81 Cb -0.04 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.27 2bm4 s PRO 81 CO 0.01 -0.32 0.77 -0.48 0.04 0.00 0.00 177.00 177.03 2bm4 s LEU 82 N -4.82 -0.30 -0.26 -3.56 0.05 -1.26 -0.18 118.68 108.35 2bm4 s LEU 82 Ca 0.50 -0.41 -0.06 0.00 0.05 0.00 0.00 54.13 54.21 2bm4 s LEU 82 Cb -0.11 2.52 -0.01 0.00 -2.05 0.00 0.00 46.19 46.54 2bm4 s LEU 82 CO 0.47 -1.12 0.05 -0.89 -0.55 0.00 0.00 176.35 174.30 2bm4 s THR 83 N -3.68 3.97 -0.19 5.48 2.01 0.08 -4.77 115.64 118.55 2bm4 s THR 83 Ca 0.09 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 2bm4 s THR 83 Cb -0.04 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2bm4 s THR 83 CO 0.01 0.27 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.39 2bm4 s LEU 84 N 1.54 2.95 -0.44 4.42 1.43 -1.26 -1.09 118.68 126.23 2bm4 s LEU 84 Ca 0.05 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2bm4 s LEU 84 Cb -0.16 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.47 2bm4 s LEU 84 CO 0.02 0.06 0.24 -0.62 0.23 0.00 0.00 176.35 176.27 2bm4 s ASP 85 N 1.01 3.74 -0.43 2.29 2.15 0.85 -4.85 116.67 121.43 2bm4 s ASP 85 Ca 0.00 -2.64 -0.05 0.00 0.43 0.00 0.00 52.55 50.29 2bm4 s ASP 85 Cb -0.15 -1.10 0.01 0.00 -0.30 0.00 0.00 42.92 41.38 2bm4 s ASP 85 CO 0.00 -0.27 0.47 -0.67 -0.17 0.00 0.00 175.17 174.53 2bm4 n ASP 86 N 3.53 -6.23 -4.20 -0.34 2.03 -1.26 -1.17 116.55 108.92 2bm4 n ASP 86 Ca 0.08 0.15 -0.27 0.00 0.52 0.00 0.00 54.79 55.28 2bm4 n ASP 86 Cb 0.34 -4.13 -0.16 0.00 -0.72 0.00 0.00 41.12 36.45 2bm4 n ASP 86 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2bm4 s VAL 87 N -2.61 1.58 -0.28 5.18 1.01 -1.26 -1.86 120.40 122.16 2bm4 s VAL 87 Ca 0.08 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 2bm4 s VAL 87 Cb -0.02 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2bm4 s VAL 87 CO 0.55 0.45 0.25 -0.62 0.00 0.00 0.00 175.10 175.72 2bm4 s ASP 88 N -0.40 6.09 -0.20 3.32 2.15 0.09 -3.10 116.67 124.63 2bm4 s ASP 88 Ca 0.06 0.07 0.16 0.00 0.43 0.00 0.00 52.55 53.26 2bm4 s ASP 88 Cb -0.08 -2.15 0.60 0.00 -0.30 0.00 0.00 42.92 40.99 2bm4 s ASP 88 CO -0.00 -0.10 1.51 0.49 -0.17 0.00 0.00 175.17 176.90 2bm4 n PHE 89 N 5.14 1.25 -1.65 -5.34 3.72 0.75 0.65 117.46 121.98 2bm4 n PHE 89 Ca -0.12 -0.87 -0.52 0.00 -0.05 0.00 0.00 57.45 55.88 2bm4 n PHE 89 Cb 0.52 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 2bm4 n PHE 89 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2bm4 n THR 90 N -0.27 0.18 -1.17 4.37 -1.04 -1.19 -0.77 114.28 114.40 2bm4 n THR 90 Ca 0.24 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.05 62.16 2bm4 n THR 90 Cb 0.98 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 68.25 2bm4 n THR 90 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2bm4 n LEU 91 N 4.15 0.08 -4.85 -4.42 4.77 0.17 -0.95 117.00 115.96 2bm4 n LEU 91 Ca 0.21 0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 2bm4 n LEU 91 Cb 0.20 -2.17 0.03 0.00 -2.33 0.00 0.00 43.42 39.15 2bm4 n LEU 91 CO 0.70 -0.81 0.72 0.00 -1.33 0.00 0.00 177.39 176.66 2bm4 s ALA 92 N -1.71 2.87 -0.26 -1.18 0.00 0.05 -3.81 121.76 117.72 2bm4 s ALA 92 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 2bm4 s ALA 92 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2bm4 s ALA 92 CO 0.00 -0.99 -0.02 0.08 0.00 0.00 0.00 175.76 174.82 2bm4 s VAL 93 N -3.13 3.16 0.00 0.00 1.01 -0.05 0.03 120.40 121.42 2bm4 s VAL 93 Ca 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2bm4 s VAL 93 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2bm4 s VAL 93 CO 0.54 0.15 0.72 0.18 0.00 0.00 0.00 175.10 176.70 2bm4 n LEU 94 N 4.72 1.37 -4.58 3.92 4.77 0.02 -1.29 117.00 125.93 2bm4 n LEU 94 Ca -0.16 -1.37 -0.49 0.00 -0.03 0.00 0.00 56.01 53.97 2bm4 n LEU 94 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2bm4 n LEU 94 CO 0.28 0.34 0.72 0.61 -1.33 0.00 0.00 177.39 178.01 2bm4 n GLY 95 N -0.24 0.06 2.98 -0.72 0.00 -0.84 -1.96 105.19 104.47 2bm4 n GLY 95 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2bm4 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bm4 n GLY 96 N 1.99 2.68 3.91 -0.02 0.00 0.03 -4.81 105.19 108.97 2bm4 n GLY 96 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2bm4 n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bm4 s ASN 97 N -3.84 5.45 -0.46 1.61 0.01 -0.83 -4.81 114.94 112.08 2bm4 s ASN 97 Ca 0.00 0.82 -0.14 0.00 -0.71 0.00 0.00 52.86 52.83 2bm4 s ASN 97 Cb 0.00 -1.71 0.07 0.00 0.41 0.00 0.00 41.25 40.02 2bm4 s ASN 97 CO 0.00 -1.22 0.36 -0.62 -1.51 0.00 0.00 177.10 174.11 2bm4 s ASP 98 N -4.35 6.04 -0.16 -1.22 -1.08 -1.26 -0.77 116.67 113.88 2bm4 s ASP 98 Ca 0.56 -1.35 0.16 0.00 -0.52 0.00 0.00 52.55 51.40 2bm4 s ASP 98 Cb -0.11 -2.14 0.50 0.00 -1.46 0.00 0.00 42.92 39.71 2bm4 s ASP 98 CO 0.47 -0.62 1.39 0.18 0.52 0.00 0.00 175.17 177.12 2bm4 n LEU 99 N 5.14 3.73 -4.64 -1.34 4.32 0.17 -4.61 117.00 119.77 2bm4 n LEU 99 Ca -0.12 -2.89 -0.51 0.00 -0.02 0.00 0.00 56.01 52.47 2bm4 n LEU 99 Cb 0.44 -0.50 -0.06 0.00 -1.62 0.00 0.00 43.42 41.68 2bm4 n LEU 99 CO 0.45 0.68 1.10 0.54 -1.22 0.00 0.00 177.39 178.94 2bm4 n ARG 100 N -0.41 1.53 -0.95 3.23 1.74 -0.87 -2.10 116.66 118.83 2bm4 n ARG 100 Ca 0.20 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2bm4 n ARG 100 Cb 0.83 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2bm4 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm4 n GLY 101 N 3.19 0.58 3.77 -0.13 0.00 -0.33 -4.91 105.19 107.36 2bm4 n GLY 101 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2bm4 n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bm4 s LEU 102 N 0.00 4.20 -0.48 0.99 1.43 -0.89 -4.71 118.68 119.21 2bm4 s LEU 102 Ca 0.00 2.16 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 2bm4 s LEU 102 Cb 0.00 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.18 2bm4 s LEU 102 CO 0.00 -0.51 0.79 0.21 0.23 0.00 0.00 176.35 177.06 2bm4 s ASN 103 N -1.35 6.35 -0.23 2.29 3.04 -1.26 -1.61 114.94 122.17 2bm4 s ASN 103 Ca 0.56 -0.32 0.13 0.00 0.04 0.00 0.00 52.86 53.27 2bm4 s ASN 103 Cb -0.26 -2.38 0.50 0.00 -1.54 0.00 0.00 41.25 37.57 2bm4 s ASN 103 CO 0.32 -0.98 1.42 0.18 -3.04 0.00 0.00 177.10 175.01 2bm4 n LEU 104 N 6.79 3.90 -4.65 3.21 4.77 0.59 -4.48 117.00 127.12 2bm4 n LEU 104 Ca 0.00 -3.41 -0.55 0.00 -0.03 0.00 0.00 56.01 52.03 2bm4 n LEU 104 Cb 0.48 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2bm4 n LEU 104 CO 0.59 0.97 1.13 0.41 -1.33 0.00 0.00 177.39 179.15 2bm4 n THR 105 N -0.90 0.16 -1.99 -5.08 -1.04 -0.97 -1.44 114.28 103.03 2bm4 n THR 105 Ca 0.27 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.05 62.05 2bm4 n THR 105 Cb 0.95 -1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.37 2bm4 n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bm4 n GLY 106 N 3.39 0.73 3.90 3.41 0.00 0.28 -4.67 105.19 112.24 2bm4 n GLY 106 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 2bm4 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm4 s ARG 108 N -4.39 4.01 -0.23 0.00 3.52 -1.18 -1.55 118.95 119.12 2bm4 s ARG 108 Ca 0.47 -0.25 0.17 0.00 -0.13 0.00 0.00 55.73 55.99 2bm4 s ARG 108 Cb -0.10 -3.61 0.47 0.00 -1.56 0.00 0.00 34.95 30.15 2bm4 s ARG 108 CO 0.40 -0.10 1.16 1.28 -0.81 0.00 0.00 175.30 177.23 2bm4 n LEU 109 N 4.78 2.73 -4.68 -0.88 4.77 -0.03 -0.18 117.00 123.50 2bm4 n LEU 109 Ca -0.14 -3.54 -0.42 0.00 -0.03 0.00 0.00 56.01 51.88 2bm4 n LEU 109 Cb 0.52 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2bm4 n LEU 109 CO 0.34 1.35 1.32 -0.13 -1.33 0.00 0.00 177.39 178.94 2bm4 s ARG 110 N -3.12 4.20 -1.37 3.23 0.52 -1.16 -2.64 118.95 118.60 2bm4 s ARG 110 Ca 0.37 2.27 -0.03 0.00 -0.52 0.00 0.00 55.73 57.82 2bm4 s ARG 110 Cb 0.37 -3.68 0.01 0.00 0.52 0.00 0.00 34.95 32.17 2bm4 s ARG 110 CO -0.04 -0.74 0.21 0.39 0.02 0.00 0.00 175.30 175.14 2bm4 n GLU 111 N 5.88 -2.84 -2.92 3.54 1.02 -0.01 -0.66 120.64 124.65 2bm4 n GLU 111 Ca 0.16 0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 57.66 2bm4 n GLU 111 Cb 0.41 -5.43 -0.06 0.00 -0.02 0.00 0.00 31.44 26.34 2bm4 n GLU 111 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2bm4 s THR 112 N -2.89 4.33 -0.22 2.62 2.01 -1.08 -3.59 115.64 116.82 2bm4 s THR 112 Ca 0.13 1.68 -0.20 0.00 0.31 0.00 0.00 61.69 63.61 2bm4 s THR 112 Cb -0.06 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2bm4 s THR 112 CO 0.16 0.32 0.60 -0.55 -0.69 0.00 0.00 174.62 174.46 2bm4 s SER 113 N -1.43 6.61 -0.20 3.53 0.15 0.10 -1.82 113.70 120.64 2bm4 s SER 113 Ca 0.43 0.74 0.13 0.00 0.70 0.00 0.00 55.95 57.94 2bm4 s SER 113 Cb -0.20 -2.33 0.40 0.00 -1.71 0.00 0.00 66.02 62.18 2bm4 s SER 113 CO 0.25 -0.29 1.24 0.18 1.20 0.00 0.00 173.24 175.82 2bm4 n LEU 114 N 5.24 2.82 -4.69 3.45 4.77 0.69 -0.80 117.00 128.50 2bm4 n LEU 114 Ca -0.02 -3.70 -0.42 0.00 -0.03 0.00 0.00 56.01 51.84 2bm4 n LEU 114 Cb 0.50 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2bm4 n LEU 114 CO 0.43 1.22 1.44 0.68 -1.33 0.00 0.00 177.39 179.83 2bm4 s VAL 115 N -3.15 2.74 -1.72 4.08 -7.23 -1.19 -0.94 120.40 112.99 2bm4 s VAL 115 Ca 0.38 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2bm4 s VAL 115 Cb 0.35 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2bm4 s VAL 115 CO -0.04 -0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.22 2bm4 n ASP 116 N 5.86 -5.44 -4.73 4.85 8.00 -0.28 -0.79 116.55 124.03 2bm4 n ASP 116 Ca 0.17 0.40 -0.40 0.00 0.71 0.00 0.00 54.79 55.67 2bm4 n ASP 116 Cb 0.39 -4.36 -0.04 0.00 -0.02 0.00 0.00 41.12 37.09 2bm4 n ASP 116 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bm4 s THR 117 N -2.44 4.79 -0.69 -3.53 2.01 -0.11 -3.25 115.64 112.42 2bm4 s THR 117 Ca 0.00 1.74 -0.21 0.00 0.31 0.00 0.00 61.69 63.53 2bm4 s THR 117 Cb 0.00 -4.17 0.09 0.00 0.01 0.00 0.00 72.50 68.43 2bm4 s THR 117 CO 0.00 0.29 0.93 -0.62 -0.69 0.00 0.00 174.62 174.54 2bm4 s ASP 118 N 0.33 6.25 -0.30 3.53 -1.08 0.05 -0.65 116.67 124.81 2bm4 s ASP 118 Ca 0.42 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 51.29 2bm4 s ASP 118 Cb -0.20 -2.39 0.58 0.00 -1.46 0.00 0.00 42.92 39.45 2bm4 s ASP 118 CO 0.24 -1.31 1.59 0.18 0.52 0.00 0.00 175.17 176.39 2bm4 n LEU 119 N 7.22 4.83 -4.76 -1.34 4.32 0.20 0.41 117.00 127.88 2bm4 n LEU 119 Ca -0.01 -3.47 -0.41 0.00 -0.02 0.00 0.00 56.01 52.10 2bm4 n LEU 119 Cb 0.45 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.57 2bm4 n LEU 119 CO 0.61 1.01 1.13 -0.13 -1.22 0.00 0.00 177.39 178.78 2bm4 s ARG 120 N -3.11 4.20 0.00 3.23 0.52 -0.95 -2.03 118.95 120.81 2bm4 s ARG 120 Ca 0.48 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 58.12 2bm4 s ARG 120 Cb 0.41 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.84 2bm4 s ARG 120 CO 0.06 -0.46 0.00 1.63 0.02 0.00 0.00 175.30 176.55 2bm4 n LYS 121 N 1.48 -1.27 -1.45 3.54 5.02 -0.87 -1.19 118.16 123.43 2bm4 n LYS 121 Ca 0.04 0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 56.34 2bm4 n LYS 121 Cb 0.39 -4.30 0.07 0.00 -0.02 0.00 0.00 35.03 31.18 2bm4 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bm4 s VAL 123 N -2.81 3.84 -0.24 0.00 1.01 -0.63 -0.84 120.40 120.73 2bm4 s VAL 123 Ca 0.62 -1.28 0.13 0.00 0.00 0.00 0.00 61.98 61.44 2bm4 s VAL 123 Cb -0.17 -3.26 0.55 0.00 0.00 0.00 0.00 36.38 33.50 2bm4 s VAL 123 CO 0.52 -0.31 1.49 0.18 0.00 0.00 0.00 175.10 176.99 2bm4 n LEU 124 N 4.82 4.29 -4.67 3.92 4.77 0.11 -0.30 117.00 129.93 2bm4 n LEU 124 Ca -0.11 -3.33 -0.48 0.00 -0.03 0.00 0.00 56.01 52.06 2bm4 n LEU 124 Cb 0.44 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2bm4 n LEU 124 CO 0.33 0.91 1.32 0.54 -1.33 0.00 0.00 177.39 179.16 2bm4 n ARG 125 N -0.73 2.01 -0.93 3.23 1.74 -1.08 -1.17 116.66 119.72 2bm4 n ARG 125 Ca 0.29 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 2bm4 n ARG 125 Cb 1.02 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2bm4 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm4 n GLY 126 N 3.88 0.18 3.76 -0.13 0.00 -0.63 -0.55 105.19 111.69 2bm4 n GLY 126 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2bm4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm4 s ALA 127 N -1.42 1.98 -0.29 4.61 0.00 -0.32 -4.27 121.76 122.06 2bm4 s ALA 127 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 2bm4 s ALA 127 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2bm4 s ALA 127 CO 0.00 -1.97 0.02 0.34 0.00 0.00 0.00 175.76 174.15 2bm4 s ASP 128 N -3.51 4.85 -0.15 0.00 -1.08 -0.60 -0.52 116.67 115.67 2bm4 s ASP 128 Ca 0.62 -0.95 0.15 0.00 -0.52 0.00 0.00 52.55 51.85 2bm4 s ASP 128 Cb -0.17 -1.77 0.53 0.00 -1.46 0.00 0.00 42.92 40.05 2bm4 s ASP 128 CO 0.56 -0.21 1.44 0.18 0.52 0.00 0.00 175.17 177.66 2bm4 n LEU 129 N 4.74 3.94 -4.67 -1.34 4.32 0.98 -0.85 117.00 124.12 2bm4 n LEU 129 Ca -0.14 -2.77 -0.47 0.00 -0.02 0.00 0.00 56.01 52.60 2bm4 n LEU 129 Cb 0.46 -0.50 -0.04 0.00 -1.62 0.00 0.00 43.42 41.72 2bm4 n LEU 129 CO 0.29 0.69 1.26 -1.20 -1.22 0.00 0.00 177.39 177.21 2bm4 n SER 130 N -0.09 3.13 0.00 -1.43 7.64 -1.22 -1.23 113.62 120.43 2bm4 n SER 130 Ca 0.20 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2bm4 n SER 130 Cb 0.83 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2bm4 n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bm4 n GLY 131 N 3.65 0.60 3.76 0.23 0.00 -1.26 -0.83 105.19 111.34 2bm4 n GLY 131 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2bm4 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm4 s ALA 132 N -2.59 2.45 -0.33 4.61 0.00 -0.36 -3.87 121.76 121.66 2bm4 s ALA 132 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 2bm4 s ALA 132 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2bm4 s ALA 132 CO 0.00 -1.29 0.24 0.50 0.00 0.00 0.00 175.76 175.21 2bm4 s ARG 133 N -3.85 3.55 -0.06 0.00 6.06 -0.76 -4.92 118.95 118.98 2bm4 s ARG 133 Ca 0.70 -0.59 0.09 0.00 -2.50 0.00 0.00 55.73 53.43 2bm4 s ARG 133 Cb -0.24 -3.79 0.17 0.00 0.06 0.00 0.00 34.95 31.16 2bm4 s ARG 133 CO 0.39 -0.42 1.11 0.25 -2.50 0.00 0.00 175.30 174.13 2bm4 n THR 134 N 5.11 1.39 -1.69 4.11 -2.24 -1.26 -0.22 114.28 119.48 2bm4 n THR 134 Ca -0.13 -1.48 -0.53 0.00 -2.27 0.00 0.00 64.05 59.65 2bm4 n THR 134 Cb 0.50 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 2bm4 n THR 134 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bm4 n THR 135 N -0.67 0.35 -0.48 4.28 -1.04 -1.26 0.14 114.28 115.60 2bm4 n THR 135 Ca 0.08 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2bm4 n THR 135 Cb 0.45 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 2bm4 n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bm4 n GLY 136 N 4.05 1.45 3.76 3.41 0.00 -1.25 -1.12 105.19 115.48 2bm4 n GLY 136 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2bm4 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm4 s ALA 137 N -2.93 2.94 -0.28 4.61 0.00 0.12 -3.91 121.76 122.30 2bm4 s ALA 137 Ca 0.00 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.12 2bm4 s ALA 137 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2bm4 s ALA 137 CO 0.00 -1.08 0.04 1.03 0.00 0.00 0.00 175.76 175.75 2bm4 s ARG 138 N -2.75 2.96 -0.11 0.00 0.52 0.17 -1.41 118.95 118.33 2bm4 s ARG 138 Ca 0.67 -0.93 0.15 0.00 -0.52 0.00 0.00 55.73 55.11 2bm4 s ARG 138 Cb -0.37 -3.26 0.29 0.00 0.52 0.00 0.00 34.95 32.13 2bm4 s ARG 138 CO 0.44 -0.45 1.18 1.28 0.02 0.00 0.00 175.30 177.77 2bm4 n LEU 139 N 4.80 2.58 -4.74 2.53 4.77 0.85 -0.63 117.00 127.16 2bm4 n LEU 139 Ca -0.15 -2.87 -0.42 0.00 -0.03 0.00 0.00 56.01 52.54 2bm4 n LEU 139 Cb 0.47 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2bm4 n LEU 139 CO 0.30 0.67 1.05 0.47 -1.33 0.00 0.00 177.39 178.55 2bm4 n ASP 140 N -1.06 3.34 0.00 -1.43 8.00 -1.08 -1.27 116.55 123.04 2bm4 n ASP 140 Ca 0.14 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.85 2bm4 n ASP 140 Cb 0.62 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 2bm4 n ASP 140 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2bm4 n ASP 141 N 0.86 -5.55 -4.86 -2.24 8.00 -0.55 -2.04 116.55 110.17 2bm4 n ASP 141 Ca 0.04 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.23 2bm4 n ASP 141 Cb 0.37 -3.35 -0.01 0.00 -0.02 0.00 0.00 41.12 38.11 2bm4 n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bm4 s ALA 142 N -0.96 3.12 -0.39 2.24 0.00 -0.40 -3.63 121.76 121.74 2bm4 s ALA 142 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 2bm4 s ALA 142 Cb 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.10 2bm4 s ALA 142 CO 0.00 -0.42 0.24 0.34 0.00 0.00 0.00 175.76 175.92 2bm4 s ASP 143 N -3.60 5.88 0.00 0.00 -1.08 -0.02 -0.41 116.67 117.45 2bm4 s ASP 143 Ca 0.56 -0.96 0.21 0.00 -0.52 0.00 0.00 52.55 51.84 2bm4 s ASP 143 Cb -0.10 -2.08 0.33 0.00 -1.46 0.00 0.00 42.92 39.61 2bm4 s ASP 143 CO 0.42 -0.41 1.30 0.18 0.52 0.00 0.00 175.17 177.17 2bm4 n LEU 144 N 5.06 3.16 -4.65 -1.34 4.77 0.44 0.04 117.00 124.49 2bm4 n LEU 144 Ca -0.11 -1.38 -0.58 0.00 -0.03 0.00 0.00 56.01 53.91 2bm4 n LEU 144 Cb 0.46 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2bm4 n LEU 144 CO 0.38 0.65 1.05 0.54 -1.33 0.00 0.00 177.39 178.68 2bm4 n ARG 145 N 1.30 0.78 -0.89 3.23 1.74 -1.19 -0.42 116.66 121.21 2bm4 n ARG 145 Ca 0.16 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2bm4 n ARG 145 Cb 0.56 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2bm4 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm4 n GLY 146 N 3.24 0.70 3.78 -0.13 0.00 -1.26 -1.61 105.19 109.91 2bm4 n GLY 146 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2bm4 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm4 s ALA 147 N -3.06 3.04 -0.37 4.61 0.00 0.44 -3.66 121.76 122.77 2bm4 s ALA 147 Ca 0.00 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 2bm4 s ALA 147 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2bm4 s ALA 147 CO 0.00 -0.27 0.68 0.99 0.00 0.00 0.00 175.76 177.15 2bm4 s THR 148 N -1.69 4.83 0.06 0.00 2.01 0.32 -4.92 115.64 116.25 2bm4 s THR 148 Ca 0.60 0.58 0.04 0.00 0.31 0.00 0.00 61.69 63.22 2bm4 s THR 148 Cb -0.22 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 2bm4 s THR 148 CO 0.27 -0.40 -0.12 0.68 -0.69 0.00 0.00 174.62 174.36 2bm4 s VAL 149 N 2.85 0.91 0.36 3.82 -7.23 -1.26 -0.02 120.40 119.83 2bm4 s VAL 149 Ca 0.26 -1.23 -0.24 0.00 -1.81 0.00 0.00 61.98 58.96 2bm4 s VAL 149 Cb -0.14 -0.91 -0.10 0.00 0.56 0.00 0.00 36.38 35.78 2bm4 s VAL 149 CO 0.16 -0.28 0.93 -1.81 -0.31 0.00 0.00 175.10 173.79 2bm4 s ASP 150 N -1.69 7.17 0.37 4.85 1.01 -1.26 -4.96 116.67 122.16 2bm4 s ASP 150 Ca -0.05 1.75 0.18 0.00 0.71 0.00 0.00 52.55 55.15 2bm4 s ASP 150 Cb -0.10 -2.55 1.16 0.00 1.01 0.00 0.00 42.92 42.44 2bm4 s ASP 150 CO 0.02 -0.17 1.67 -0.65 0.21 0.00 0.00 175.17 176.24 2bm4 h PRO 151 N 2.70 0.27 -0.18 8.23 0.11 -2.00 -1.00 132.00 140.14 2bm4 h PRO 151 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2bm4 h PRO 151 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2bm4 h PRO 151 CO 0.64 0.18 0.01 -0.24 -0.21 0.00 0.00 178.00 178.37 2bm4 h VAL 152 N 0.28 1.11 -0.76 3.15 3.04 -1.95 -2.27 116.25 118.86 2bm4 h VAL 152 Ca 0.74 -0.42 0.06 0.00 -1.01 0.00 0.00 66.70 66.07 2bm4 h VAL 152 Cb 1.84 0.97 -0.06 0.00 -2.01 0.00 0.00 31.29 32.03 2bm4 h VAL 152 CO -0.54 0.14 0.45 0.25 -1.01 0.00 0.00 177.57 176.86 2bm4 h LEU 153 N 0.25 0.69 -2.46 3.16 6.46 -1.54 -0.43 115.31 121.44 2bm4 h LEU 153 Ca 0.06 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2bm4 h LEU 153 Cb 0.16 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2bm4 h LEU 153 CO 0.00 0.44 0.04 -0.50 -0.62 0.00 0.00 178.44 177.80 2bm4 h TRP 154 N 0.82 0.00 -0.00 1.25 -0.00 -1.50 -1.06 115.95 115.46 2bm4 h TRP 154 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.23 2bm4 h TRP 154 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.34 2bm4 h TRP 154 CO -0.06 0.00 -0.71 0.54 -0.00 0.00 0.00 178.44 178.21 2bm4 n ARG 155 N -3.77 0.18 -0.03 0.49 1.74 -0.26 -4.70 116.66 110.31 2bm4 n ARG 155 Ca -0.02 -0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 56.86 2bm4 n ARG 155 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 2bm4 n ARG 155 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2bm4 n THR 156 N -1.29 0.38 -2.46 0.55 -2.24 -0.51 -5.04 114.28 103.67 2bm4 n THR 156 Ca 0.06 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 2bm4 n THR 156 Cb 0.35 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 67.44 2bm4 n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bm4 s ALA 157 N -2.13 3.27 0.06 6.98 0.00 -0.54 -3.97 121.76 125.42 2bm4 s ALA 157 Ca -0.09 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 2bm4 s ALA 157 Cb 0.03 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 2bm4 s ALA 157 CO 0.14 -0.24 1.13 0.45 0.00 0.00 0.00 175.76 177.24 2bm4 s SER 158 N -1.13 7.18 -0.05 0.00 0.15 -0.50 -4.90 113.70 114.45 2bm4 s SER 158 Ca 0.51 1.93 0.08 0.00 0.70 0.00 0.00 55.95 59.16 2bm4 s SER 158 Cb -0.29 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.57 2bm4 s SER 158 CO 0.37 -0.38 1.06 0.18 1.20 0.00 0.00 173.24 175.67 2bm4 n LEU 159 N 3.75 0.97 -4.67 3.45 4.77 -1.26 -0.11 117.00 123.89 2bm4 n LEU 159 Ca 0.07 -1.87 -0.42 0.00 -0.03 0.00 0.00 56.01 53.77 2bm4 n LEU 159 Cb 0.48 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2bm4 n LEU 159 CO 0.54 0.45 1.41 -0.69 -1.33 0.00 0.00 177.39 177.77 2bm4 s VAL 160 N -1.17 3.23 0.00 4.08 1.01 -1.26 -1.11 120.40 125.18 2bm4 s VAL 160 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2bm4 s VAL 160 Cb 0.12 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2bm4 s VAL 160 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2bm4 n GLY 161 N 4.18 1.14 3.75 4.51 0.00 -1.26 -1.48 105.19 116.03 2bm4 n GLY 161 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2bm4 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bm4 s ALA 162 N -3.86 3.56 -0.14 4.61 0.00 -0.27 -3.67 121.76 121.99 2bm4 s ALA 162 Ca 0.00 1.27 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 2bm4 s ALA 162 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2bm4 s ALA 162 CO 0.00 -0.67 0.60 1.03 0.00 0.00 0.00 175.76 176.72 2bm4 s ARG 163 N -0.87 4.31 0.11 0.00 0.52 0.46 -4.90 118.95 118.58 2bm4 s ARG 163 Ca 0.55 0.63 0.03 0.00 -0.52 0.00 0.00 55.73 56.42 2bm4 s ARG 163 Cb -0.40 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 2bm4 s ARG 163 CO 0.46 -0.05 -0.08 0.14 0.02 0.00 0.00 175.30 175.79 2bm4 s VAL 164 N 1.25 0.89 0.59 3.52 -7.23 -1.26 -0.42 120.40 117.74 2bm4 s VAL 164 Ca 0.30 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2bm4 s VAL 164 Cb -0.16 -1.62 0.12 0.00 0.56 0.00 0.00 36.38 35.28 2bm4 s VAL 164 CO 0.12 -0.75 0.81 -0.90 -0.31 0.00 0.00 175.10 174.08 2bm4 n ASP 165 N 0.09 0.82 -0.13 4.85 5.68 -1.26 -4.88 116.55 121.73 2bm4 n ASP 165 Ca -0.13 -1.76 -0.11 0.00 -0.50 0.00 0.00 54.79 52.29 2bm4 n ASP 165 Cb 0.60 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 2bm4 n ASP 165 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2bm4 h VAL 166 N -0.77 1.28 -0.90 2.12 2.07 -2.02 -1.26 116.25 116.77 2bm4 h VAL 166 Ca -0.27 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2bm4 h VAL 166 Cb 0.92 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2bm4 h VAL 166 CO 0.26 0.38 0.59 0.44 0.02 0.00 0.00 177.57 179.27 2bm4 h ASP 167 N 0.52 0.98 -0.55 0.57 3.32 -2.00 -2.25 116.42 117.01 2bm4 h ASP 167 Ca 0.09 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 2bm4 h ASP 167 Cb 0.60 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2bm4 h ASP 167 CO 0.04 0.68 -0.10 1.56 -1.72 0.00 0.00 179.24 179.70 2bm4 h GLN 168 N 1.14 1.04 -0.51 3.56 4.20 -1.89 0.77 115.11 123.42 2bm4 h GLN 168 Ca 0.35 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2bm4 h GLN 168 Cb -0.01 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2bm4 h GLN 168 CO -0.10 1.07 0.13 0.00 -0.67 0.00 0.00 178.83 179.26 2bm4 h ALA 169 N 0.95 1.28 -0.09 3.87 0.00 -0.79 0.28 119.26 124.76 2bm4 h ALA 169 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2bm4 h ALA 169 Cb 0.67 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2bm4 h ALA 169 CO 0.05 0.51 -0.05 0.28 0.00 0.00 0.00 179.25 180.04 2bm4 h VAL 170 N 0.75 1.33 -0.51 0.00 2.07 -1.02 -2.21 116.25 116.64 2bm4 h VAL 170 Ca 0.17 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2bm4 h VAL 170 Cb 0.26 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2bm4 h VAL 170 CO -0.00 0.30 0.34 0.00 0.02 0.00 0.00 177.57 178.23 2bm4 h ALA 171 N 0.63 1.64 -0.41 1.67 0.00 -0.51 0.18 119.26 122.45 2bm4 h ALA 171 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bm4 h ALA 171 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2bm4 h ALA 171 CO 0.01 0.34 0.26 0.35 0.00 0.00 0.00 179.25 180.21 2bm4 h PHE 172 N 0.70 0.54 -0.32 0.00 3.57 -0.54 0.14 116.94 121.02 2bm4 h PHE 172 Ca 0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 2bm4 h PHE 172 Cb -0.08 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2bm4 h PHE 172 CO -0.00 0.37 0.19 0.00 -2.23 0.00 0.00 178.31 176.64 2bm4 h ALA 173 N 1.12 0.40 -0.51 2.41 0.00 -0.60 -2.62 119.26 119.46 2bm4 h ALA 173 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2bm4 h ALA 173 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bm4 h ALA 173 CO -0.03 -0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.36 2bm4 h ALA 174 N 1.07 0.67 -0.24 0.00 0.00 -0.74 -1.69 119.26 118.33 2bm4 h ALA 174 Ca 0.11 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2bm4 h ALA 174 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2bm4 h ALA 174 CO -0.02 0.25 0.24 0.00 0.00 0.00 0.00 179.25 179.71 2bm4 h ALA 175 N 1.07 1.93 -0.54 0.00 0.00 -0.57 0.17 119.26 121.32 2bm4 h ALA 175 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2bm4 h ALA 175 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bm4 h ALA 175 CO -0.02 -0.36 0.00 0.72 0.00 0.00 0.00 179.25 179.59 2bm4 n HIS 176 N -3.91 1.10 -0.24 0.00 8.25 -0.74 -4.86 115.22 114.82 2bm4 n HIS 176 Ca 0.03 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 2bm4 n HIS 176 Cb 0.37 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2bm4 n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bm4 n GLY 177 N 1.10 0.63 3.77 -1.41 0.00 0.59 -5.06 105.19 104.82 2bm4 n GLY 177 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2bm4 n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bm4 s LEU 178 N 0.00 4.38 -0.44 0.99 1.02 -0.71 -4.98 118.68 118.94 2bm4 s LEU 178 Ca 0.00 2.13 -0.17 0.00 0.02 0.00 0.00 54.13 56.11 2bm4 s LEU 178 Cb 0.00 -3.87 0.04 0.00 0.02 0.00 0.00 46.19 42.38 2bm4 s LEU 178 CO 0.00 -0.25 0.43 0.00 0.02 0.00 0.00 176.35 176.55 2bm4 s LEU 180 N 2.04 3.27 0.55 0.00 2.96 -1.26 -4.94 118.68 121.29 2bm4 s LEU 180 Ca 0.10 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 2bm4 s LEU 180 Cb -0.19 -2.62 0.05 0.00 0.50 0.00 0.00 46.19 43.93 2bm4 s LEU 180 CO 0.11 -2.13 0.53 0.00 -1.32 0.00 0.00 176.35 173.55 2bm4 s ALA 181 N 7.68 4.51 0.00 5.97 0.00 -1.26 -5.22 121.76 133.45 2bm4 s ALA 181 Ca 0.56 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2bm4 s ALA 181 Cb -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2bm4 s ALA 181 CO 0.20 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.79