#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2g n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.07 113.62 110.18 2b2g n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2b2g n SER 2 Cb 0.00 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 63.98 2b2g n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2b2g n ASN 3 N 0.00 0.14 -4.30 -3.46 2.04 -1.26 -4.62 115.26 103.80 2b2g n ASN 3 Ca 0.00 0.31 -0.36 0.00 -0.44 0.00 0.00 54.58 54.09 2b2g n ASN 3 Cb 0.00 -0.32 -0.04 0.00 -2.53 0.00 0.00 39.78 36.89 2b2g n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2b2g n PHE 4 N -1.52 3.11 -4.24 -2.53 7.35 -1.26 -4.85 117.46 113.53 2b2g n PHE 4 Ca 0.07 -2.02 -0.13 0.00 -0.76 0.00 0.00 57.45 54.60 2b2g n PHE 4 Cb 0.34 -2.43 -0.10 0.00 0.35 0.00 0.00 39.48 37.64 2b2g n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b2g s THR 5 N 7.34 0.74 0.55 -2.13 -4.23 -1.26 -4.89 115.64 111.76 2b2g s THR 5 Ca 0.60 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.92 2b2g s THR 5 Cb 0.05 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2b2g s THR 5 CO 0.10 -0.52 1.32 -1.58 -0.54 0.00 0.00 174.62 173.40 2b2g s GLN 6 N -3.89 3.13 0.20 3.99 0.74 -1.26 -4.69 119.66 117.88 2b2g s GLN 6 Ca 0.23 2.14 -0.17 0.00 0.05 0.00 0.00 55.36 57.61 2b2g s GLN 6 Cb 0.06 -2.21 0.02 0.00 1.10 0.00 0.00 33.01 31.98 2b2g s GLN 6 CO 0.03 -1.17 0.53 -0.59 -0.55 0.00 0.00 175.29 173.54 2b2g s PHE 7 N -1.36 -0.07 -0.35 1.67 -0.71 -0.69 -5.01 117.98 111.45 2b2g s PHE 7 Ca 0.72 -0.28 -0.23 0.00 -1.04 0.00 0.00 56.93 56.10 2b2g s PHE 7 Cb -0.38 0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.82 2b2g s PHE 7 CO 0.45 -0.94 0.80 0.08 -1.34 0.00 0.00 175.22 174.26 2b2g s VAL 8 N -3.89 4.73 -0.16 -2.49 1.01 -1.26 -1.30 120.40 117.03 2b2g s VAL 8 Ca 0.11 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.81 2b2g s VAL 8 Cb -0.01 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 2b2g s VAL 8 CO -0.01 -0.41 0.51 0.25 0.00 0.00 0.00 175.10 175.44 2b2g h LEU 9 N 9.72 0.00 -8.19 3.92 5.85 -1.42 -3.44 115.31 121.75 2b2g h LEU 9 Ca -0.24 -0.75 -0.68 0.00 0.84 0.00 0.00 57.88 57.04 2b2g h LEU 9 Cb 1.09 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.82 2b2g h LEU 9 CO 0.91 1.16 -0.69 -0.69 -0.34 0.00 0.00 178.44 178.79 2b2g s VAL 10 N -2.25 3.26 -0.42 1.05 1.01 -1.03 -5.00 120.40 117.02 2b2g s VAL 10 Ca -0.22 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 2b2g s VAL 10 Cb 0.01 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.68 2b2g s VAL 10 CO 0.62 0.07 0.39 -0.62 0.00 0.00 0.00 175.10 175.56 2b2g s ASP 11 N 1.36 6.16 -0.42 3.32 2.15 -1.26 -0.97 116.67 127.01 2b2g s ASP 11 Ca -0.01 -0.79 0.05 0.00 0.43 0.00 0.00 52.55 52.23 2b2g s ASP 11 Cb -0.18 -2.20 0.51 0.00 -0.30 0.00 0.00 42.92 40.75 2b2g s ASP 11 CO -0.01 -0.54 1.63 0.59 -0.17 0.00 0.00 175.17 176.66 2b2g n ASN 12 N 5.44 4.65 -2.76 -0.34 3.02 -1.26 -4.93 115.26 119.07 2b2g n ASN 12 Ca -0.09 -3.76 -0.06 0.00 -0.03 0.00 0.00 54.58 50.65 2b2g n ASN 12 Cb 0.47 -0.70 0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2b2g n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b2g n GLY 13 N -0.98 -0.84 4.78 7.41 0.00 -1.26 -3.82 105.19 110.47 2b2g n GLY 13 Ca 0.48 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2b2g n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2g n GLY 14 N -1.44 0.36 3.44 -0.02 0.00 -1.26 -4.83 105.19 101.44 2b2g n GLY 14 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2b2g n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b2g s THR 15 N 0.00 4.84 0.00 2.61 -1.32 -1.25 -4.16 115.64 116.36 2b2g s THR 15 Ca 0.00 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2b2g s THR 15 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2b2g s THR 15 CO 0.00 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 2b2g n GLY 16 N 5.04 0.97 3.75 6.08 0.00 -1.26 -4.71 105.19 115.05 2b2g n GLY 16 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2b2g n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b2g s ASP 17 N -2.02 5.33 -0.31 1.61 1.01 -1.26 -4.66 116.67 116.38 2b2g s ASP 17 Ca 0.00 2.63 -0.06 0.00 0.71 0.00 0.00 52.55 55.82 2b2g s ASP 17 Cb 0.00 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.33 2b2g s ASP 17 CO 0.00 -1.51 0.08 -0.69 0.21 0.00 0.00 175.17 173.25 2b2g s VAL 18 N -1.39 3.80 -0.11 -1.27 1.01 -0.15 -4.99 120.40 117.30 2b2g s VAL 18 Ca 0.72 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2b2g s VAL 18 Cb -0.37 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2b2g s VAL 18 CO 0.43 -0.00 0.12 -0.89 0.00 0.00 0.00 175.10 174.76 2b2g s THR 19 N 1.45 5.36 -0.07 3.92 2.01 -1.26 -1.00 115.64 126.04 2b2g s THR 19 Ca 0.01 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.19 2b2g s THR 19 Cb -0.18 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 2b2g s THR 19 CO 0.02 0.60 -0.22 0.54 -0.69 0.00 0.00 174.62 174.88 2b2g s VAL 20 N -1.03 1.83 0.17 3.82 0.11 -0.42 -4.39 120.40 120.49 2b2g s VAL 20 Ca 0.15 -0.91 0.10 0.00 -2.93 0.00 0.00 61.98 58.39 2b2g s VAL 20 Cb -0.12 -1.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2b2g s VAL 20 CO 0.04 0.51 -0.22 0.00 -3.33 0.00 0.00 175.10 172.11 2b2g s ALA 21 N 0.17 2.25 0.20 1.54 0.00 -0.85 -1.71 121.76 123.35 2b2g s ALA 21 Ca -0.11 -1.53 -0.32 0.00 0.00 0.00 0.00 51.96 50.00 2b2g s ALA 21 Cb -0.15 -0.27 -0.15 0.00 0.00 0.00 0.00 23.12 22.55 2b2g s ALA 21 CO 0.05 0.36 1.31 -0.35 0.00 0.00 0.00 175.76 177.13 2b2g n PRO 22 N 0.42 1.63 0.00 0.00 -0.04 -1.26 -1.08 135.00 134.66 2b2g n PRO 22 Ca -0.14 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2b2g n PRO 22 Cb 0.56 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2b2g n PRO 22 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2b2g n SER 23 N 2.18 0.03 -3.60 3.54 3.41 0.95 -4.83 113.62 115.30 2b2g n SER 23 Ca 0.14 -0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 58.24 2b2g n SER 23 Cb 0.28 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 2b2g n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b2g s ASN 24 N -0.05 -0.32 0.00 4.04 3.84 -1.19 -4.99 114.94 116.27 2b2g s ASN 24 Ca 0.00 0.44 0.13 0.00 0.21 0.00 0.00 52.86 53.64 2b2g s ASN 24 Cb 0.00 0.38 0.21 0.00 -0.55 0.00 0.00 41.25 41.29 2b2g s ASN 24 CO 0.00 -0.24 1.06 0.33 -2.79 0.00 0.00 177.10 175.47 2b2g n PHE 25 N 1.10 0.00 -1.98 0.43 7.35 -1.26 -1.28 117.46 121.81 2b2g n PHE 25 Ca -0.09 -0.26 -0.42 0.00 -0.76 0.00 0.00 57.45 55.92 2b2g n PHE 25 Cb 0.57 -0.07 -0.03 0.00 0.35 0.00 0.00 39.48 40.31 2b2g n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b2g s ALA 26 N 0.00 3.74 -1.51 3.13 0.00 -1.26 -2.94 121.76 122.92 2b2g s ALA 26 Ca 0.16 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 2b2g s ALA 26 Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2b2g s ALA 26 CO -0.08 -0.75 0.18 0.09 0.00 0.00 0.00 175.76 175.20 2b2g n ASN 27 N 3.87 -5.42 0.00 0.00 3.02 -1.26 -2.36 115.26 113.11 2b2g n ASN 27 Ca 0.13 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2b2g n ASN 27 Cb 0.39 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 2b2g n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b2g n GLY 28 N -1.16 0.52 3.44 7.41 0.00 -1.15 -4.94 105.19 109.32 2b2g n GLY 28 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 2b2g n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2g s VAL 29 N -2.56 4.59 0.36 1.61 1.01 -1.00 -4.73 120.40 119.69 2b2g s VAL 29 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2b2g s VAL 29 Cb 0.00 -4.52 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 2b2g s VAL 29 CO 0.00 -1.16 1.19 0.00 0.00 0.00 0.00 175.10 175.13 2b2g s ALA 30 N 3.36 3.28 -0.02 5.51 0.00 -0.89 -4.00 121.76 129.00 2b2g s ALA 30 Ca 0.19 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.19 2b2g s ALA 30 Cb -0.18 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2b2g s ALA 30 CO 0.11 -0.49 -0.01 -2.00 0.00 0.00 0.00 175.76 173.36 2b2g s GLU 31 N -2.03 0.28 0.04 0.00 2.12 -0.41 -1.72 118.70 116.98 2b2g s GLU 31 Ca 0.53 -0.01 0.09 0.00 0.36 0.00 0.00 54.97 55.94 2b2g s GLU 31 Cb -0.33 -0.37 -0.03 0.00 0.26 0.00 0.00 34.13 33.66 2b2g s GLU 31 CO 0.42 -0.04 -0.26 -1.58 -0.54 0.00 0.00 175.26 173.26 2b2g s TRP 32 N 0.50 2.33 -0.01 5.30 0.51 0.88 -0.04 118.94 128.42 2b2g s TRP 32 Ca -0.05 -0.41 -0.03 0.00 -2.12 0.00 0.00 56.10 53.49 2b2g s TRP 32 Cb -0.08 -1.40 -0.00 0.00 -0.81 0.00 0.00 33.47 31.18 2b2g s TRP 32 CO -0.01 0.12 0.07 -1.50 -0.51 0.00 0.00 176.95 175.12 2b2g s ILE 33 N -0.80 0.05 0.82 2.03 2.07 -0.24 -1.18 121.20 123.95 2b2g s ILE 33 Ca 0.12 -0.40 -0.12 0.00 -1.41 0.00 0.00 60.65 58.83 2b2g s ILE 33 Cb -0.10 -0.24 0.09 0.00 0.13 0.00 0.00 42.46 42.34 2b2g s ILE 33 CO 0.02 -0.22 1.19 -0.94 -1.91 0.00 0.00 174.94 173.08 2b2g s SER 34 N -0.69 4.35 -1.29 4.50 1.04 -0.27 -2.02 113.70 119.32 2b2g s SER 34 Ca -0.08 0.71 -0.15 0.00 0.48 0.00 0.00 55.95 56.91 2b2g s SER 34 Cb -0.05 -1.15 0.11 0.00 0.10 0.00 0.00 66.02 65.04 2b2g s SER 34 CO 0.00 -2.00 1.72 -0.24 0.98 0.00 0.00 173.24 173.71 2b2g n SER 35 N -3.36 4.91 -3.09 7.02 2.88 -1.26 -4.72 113.62 116.00 2b2g n SER 35 Ca 0.09 -2.95 -0.15 0.00 -1.33 0.00 0.00 58.87 54.52 2b2g n SER 35 Cb 0.61 -1.64 -0.04 0.00 -0.75 0.00 0.00 64.21 62.39 2b2g n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2b2g s ASN 36 N 3.16 1.08 0.58 -3.46 0.01 -1.26 -5.06 114.94 109.98 2b2g s ASN 36 Ca 0.47 -1.55 -0.19 0.00 -0.71 0.00 0.00 52.86 50.88 2b2g s ASN 36 Cb 0.04 0.69 -0.04 0.00 0.41 0.00 0.00 41.25 42.35 2b2g s ASN 36 CO 0.02 -1.35 1.18 -0.94 -1.51 0.00 0.00 177.10 174.50 2b2g s SER 37 N -3.27 5.37 0.65 -1.22 1.04 -1.26 -4.73 113.70 110.28 2b2g s SER 37 Ca 0.31 2.32 0.41 0.00 0.48 0.00 0.00 55.95 59.46 2b2g s SER 37 Cb -0.01 -2.59 2.27 0.00 0.10 0.00 0.00 66.02 65.79 2b2g s SER 37 CO 0.22 -1.47 2.32 0.03 0.98 0.00 0.00 173.24 175.33 2b2g h ARG 38 N 0.99 0.00 0.00 4.02 3.08 -1.97 -0.90 114.38 119.60 2b2g h ARG 38 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2b2g h ARG 38 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2b2g h ARG 38 CO 0.56 0.00 -0.08 0.66 -1.07 0.00 0.00 179.97 180.04 2b2g h SER 39 N 0.00 0.00 0.00 7.04 4.64 -1.98 -3.30 113.55 119.94 2b2g h SER 39 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2b2g h SER 39 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2b2g h SER 39 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2b2g n GLN 40 N -2.41 1.14 -1.74 4.77 6.02 -0.47 -5.00 117.38 119.69 2b2g n GLN 40 Ca 0.05 -0.95 -0.31 0.00 -0.01 0.00 0.00 57.00 55.79 2b2g n GLN 40 Cb 0.45 -0.90 0.04 0.00 1.02 0.00 0.00 30.24 30.85 2b2g n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b2g s ALA 41 N -0.49 2.80 -0.06 -1.58 0.00 -0.49 -4.68 121.76 117.27 2b2g s ALA 41 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 2b2g s ALA 41 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2b2g s ALA 41 CO 0.00 -1.10 0.45 0.71 0.00 0.00 0.00 175.76 175.81 2b2g s TYR 42 N -3.18 3.62 -0.01 0.00 1.51 -1.26 -4.40 117.35 113.63 2b2g s TYR 42 Ca 0.57 0.95 0.03 0.00 -1.01 0.00 0.00 57.07 57.61 2b2g s TYR 42 Cb -0.12 -2.43 -0.01 0.00 -0.11 0.00 0.00 41.96 39.29 2b2g s TYR 42 CO 0.54 0.40 -0.11 0.21 -1.11 0.00 0.00 175.55 175.48 2b2g s LYS 43 N -0.22 0.89 -0.04 -0.62 2.20 -0.80 -1.11 119.74 120.03 2b2g s LYS 43 Ca 0.25 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 2b2g s LYS 43 Cb -0.16 -0.85 0.02 0.00 -1.51 0.00 0.00 37.83 35.33 2b2g s LYS 43 CO 0.12 0.21 -0.03 0.08 -0.36 0.00 0.00 175.35 175.37 2b2g s VAL 44 N -0.19 0.44 0.06 4.02 1.01 -0.33 -0.57 120.40 124.84 2b2g s VAL 44 Ca 0.03 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2b2g s VAL 44 Cb -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2b2g s VAL 44 CO -0.00 0.20 -0.13 0.42 0.00 0.00 0.00 175.10 175.59 2b2g s THR 45 N 0.90 0.96 -0.13 3.92 -4.23 -0.23 -0.08 115.64 116.75 2b2g s THR 45 Ca -0.11 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 2b2g s THR 45 Cb -0.14 -0.95 0.04 0.00 1.34 0.00 0.00 72.50 72.79 2b2g s THR 45 CO -0.00 -0.25 0.45 0.00 -0.54 0.00 0.00 174.62 174.28 2b2g s SER 47 N -0.20 -0.32 0.01 0.00 1.04 -0.85 -2.10 113.70 111.29 2b2g s SER 47 Ca -0.04 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2b2g s SER 47 Cb -0.03 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2b2g s SER 47 CO 0.02 -0.96 -0.03 -0.69 0.98 0.00 0.00 173.24 172.56 2b2g s VAL 48 N -3.82 0.19 0.21 5.02 1.01 -1.26 -1.04 120.40 120.70 2b2g s VAL 48 Ca 0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2b2g s VAL 48 Cb 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.17 2b2g s VAL 48 CO -0.09 -0.24 0.62 0.00 0.00 0.00 0.00 175.10 175.39 2b2g s ARG 49 N -0.84 1.47 -0.66 2.72 1.70 -1.08 -4.99 118.95 117.27 2b2g s ARG 49 Ca -0.08 -0.74 -0.20 0.00 -0.47 0.00 0.00 55.73 54.24 2b2g s ARG 49 Cb -0.06 0.58 0.10 0.00 -0.57 0.00 0.00 34.95 35.00 2b2g s ARG 49 CO -0.00 -0.65 0.84 -1.14 -1.08 0.00 0.00 175.30 173.27 2b2g s GLN 50 N -3.84 3.14 0.22 3.89 0.74 -1.26 -0.51 119.66 122.04 2b2g s GLN 50 Ca 0.06 -1.22 -0.08 0.00 0.05 0.00 0.00 55.36 54.18 2b2g s GLN 50 Cb -0.03 -4.32 0.31 0.00 1.10 0.00 0.00 33.01 30.08 2b2g s GLN 50 CO -0.04 -1.66 1.77 0.66 -0.55 0.00 0.00 175.29 175.47 2b2g h SER 51 N 9.26 0.39 -3.23 6.67 4.64 -1.77 -3.45 113.55 126.05 2b2g h SER 51 Ca -0.24 0.06 -0.21 0.00 -0.47 0.00 0.00 61.79 60.94 2b2g h SER 51 Cb 1.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 2b2g h SER 51 CO 1.12 0.22 -0.20 -1.54 -0.87 0.00 0.00 176.83 175.57 2b2g n SER 52 N -4.90 -0.31 0.25 4.97 3.41 -1.16 -5.01 113.62 110.87 2b2g n SER 52 Ca 0.10 -1.94 0.14 0.00 -0.26 0.00 0.00 58.87 56.91 2b2g n SER 52 Cb 0.27 0.73 0.59 0.00 -0.26 0.00 0.00 64.21 65.53 2b2g n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b2g h ALA 53 N 1.46 1.03 0.00 7.33 0.00 -2.04 -3.20 119.26 123.84 2b2g h ALA 53 Ca -0.10 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 2b2g h ALA 53 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2b2g h ALA 53 CO 0.15 0.13 -2.18 0.94 0.00 0.00 0.00 179.25 178.29 2b2g n GLN 54 N -3.25 0.67 -4.37 0.00 -0.06 -1.26 -4.92 117.38 104.20 2b2g n GLN 54 Ca 0.00 -0.03 -0.20 0.00 -2.00 0.00 0.00 57.00 54.77 2b2g n GLN 54 Cb 0.36 -1.55 -0.10 0.00 -4.06 0.00 0.00 30.24 24.88 2b2g n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2b2g s ASN 55 N -5.28 2.79 0.19 1.69 0.01 -1.21 -0.77 114.94 112.36 2b2g s ASN 55 Ca -0.09 -0.99 0.10 0.00 -0.71 0.00 0.00 52.86 51.17 2b2g s ASN 55 Cb 0.08 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 2b2g s ASN 55 CO 0.85 -0.10 -0.14 -0.13 -1.51 0.00 0.00 177.10 176.07 2b2g s ARG 56 N -3.46 1.89 -0.09 -0.60 0.52 -0.40 -2.41 118.95 114.40 2b2g s ARG 56 Ca 0.23 -1.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.03 2b2g s ARG 56 Cb -0.02 -2.05 0.05 0.00 0.52 0.00 0.00 34.95 33.44 2b2g s ARG 56 CO 0.08 0.42 0.19 0.21 0.02 0.00 0.00 175.30 176.22 2b2g s LYS 57 N -2.82 0.12 -0.03 3.54 2.20 0.33 -1.05 119.74 122.02 2b2g s LYS 57 Ca 0.24 0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 56.21 2b2g s LYS 57 Cb -0.08 -0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.02 2b2g s LYS 57 CO 0.14 -0.21 0.39 0.71 -0.36 0.00 0.00 175.35 176.01 2b2g s TYR 58 N 1.61 3.68 -0.25 4.03 1.51 0.54 -2.63 117.35 125.84 2b2g s TYR 58 Ca -0.05 0.92 0.03 0.00 -1.01 0.00 0.00 57.07 56.95 2b2g s TYR 58 Cb -0.11 -2.30 0.05 0.00 -0.11 0.00 0.00 41.96 39.49 2b2g s TYR 58 CO -0.07 0.57 -0.12 0.99 -1.11 0.00 0.00 175.55 175.80 2b2g s THR 59 N -0.77 2.15 -0.14 -0.71 2.01 -0.21 -1.00 115.64 116.98 2b2g s THR 59 Ca 0.23 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.71 2b2g s THR 59 Cb -0.16 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 2b2g s THR 59 CO 0.12 0.07 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.34 2b2g s ILE 60 N 1.13 2.92 -0.02 1.82 1.01 -0.39 -2.00 121.20 125.67 2b2g s ILE 60 Ca -0.07 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2b2g s ILE 60 Cb -0.19 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2b2g s ILE 60 CO -0.06 0.52 -0.20 -0.54 0.00 0.00 0.00 174.94 174.66 2b2g s LYS 61 N 0.51 1.72 0.01 2.79 1.02 -0.18 -0.25 119.74 125.36 2b2g s LYS 61 Ca -0.09 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.24 2b2g s LYS 61 Cb -0.16 -1.60 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 2b2g s LYS 61 CO 0.04 0.38 -0.12 0.08 -0.92 0.00 0.00 175.35 174.81 2b2g s VAL 62 N -0.32 0.92 -0.12 3.17 1.01 -0.04 -1.07 120.40 123.94 2b2g s VAL 62 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2b2g s VAL 62 Cb -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2b2g s VAL 62 CO 0.00 0.10 -0.13 -1.61 0.00 0.00 0.00 175.10 173.46 2b2g s GLU 63 N -0.69 2.01 -0.13 2.72 2.02 0.26 -0.16 118.70 124.73 2b2g s GLU 63 Ca 0.02 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2b2g s GLU 63 Cb -0.06 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.36 2b2g s GLU 63 CO 0.00 -0.15 -0.21 0.08 0.02 0.00 0.00 175.26 175.00 2b2g s VAL 64 N 1.27 2.21 0.41 2.63 1.01 -0.46 -1.90 120.40 125.56 2b2g s VAL 64 Ca -0.01 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 2b2g s VAL 64 Cb -0.14 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 2b2g s VAL 64 CO -0.05 0.54 1.07 -2.16 0.00 0.00 0.00 175.10 174.50 2b2g s PRO 65 N 0.68 4.09 -0.07 2.72 0.04 -1.26 -0.77 135.00 140.42 2b2g s PRO 65 Ca -0.10 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2b2g s PRO 65 Cb -0.16 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2b2g s PRO 65 CO 0.01 -0.22 1.06 0.21 0.04 0.00 0.00 177.00 178.10 2b2g s LYS 66 N -2.55 4.43 -0.22 4.56 2.20 -0.07 -4.91 119.74 123.17 2b2g s LYS 66 Ca 0.59 1.48 0.07 0.00 -0.36 0.00 0.00 55.97 57.75 2b2g s LYS 66 Cb -0.23 -3.53 -0.19 0.00 -1.51 0.00 0.00 37.83 32.38 2b2g s LYS 66 CO 0.29 -0.31 -0.12 0.28 -0.36 0.00 0.00 175.35 175.13 2b2g n VAL 67 N 4.45 1.37 -1.68 4.02 0.31 -1.26 -4.67 118.33 120.87 2b2g n VAL 67 Ca 0.09 -0.63 -0.47 0.00 -0.01 0.00 0.00 64.34 63.32 2b2g n VAL 67 Cb 0.48 -1.06 -0.04 0.00 -0.91 0.00 0.00 33.84 32.31 2b2g n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b2g n ALA 68 N -3.04 1.16 -1.15 3.52 0.00 -1.26 -0.59 120.51 119.15 2b2g n ALA 68 Ca -0.39 0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2b2g n ALA 68 Cb 1.02 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 2b2g n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b2g n THR 69 N 4.91 0.00 -2.06 0.00 -2.24 -1.26 -5.00 114.28 108.63 2b2g n THR 69 Ca 0.21 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.64 2b2g n THR 69 Cb 0.32 -0.86 0.02 0.00 -2.10 0.00 0.00 70.33 67.71 2b2g n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2b2g s GLN 70 N -1.92 3.08 -0.35 -0.78 0.74 0.24 -5.01 119.66 115.65 2b2g s GLN 70 Ca 0.00 1.67 0.01 0.00 0.05 0.00 0.00 55.36 57.09 2b2g s GLN 70 Cb 0.00 -1.96 0.10 0.00 1.10 0.00 0.00 33.01 32.25 2b2g s GLN 70 CO 0.00 -1.09 0.09 0.99 -0.55 0.00 0.00 175.29 174.73 2b2g s THR 71 N -1.79 2.68 -0.15 -0.34 2.01 -1.26 -5.07 115.64 111.73 2b2g s THR 71 Ca 0.74 -2.11 -0.37 0.00 0.31 0.00 0.00 61.69 60.27 2b2g s THR 71 Cb -0.26 -2.86 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 2b2g s THR 71 CO 0.32 -0.54 1.80 0.52 -0.69 0.00 0.00 174.62 176.02 2b2g n VAL 72 N 4.42 0.43 -0.46 3.82 0.31 -1.26 -0.51 118.33 125.07 2b2g n VAL 72 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2b2g n VAL 72 Cb 0.42 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2b2g n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b2g n GLY 73 N 4.22 2.03 3.90 2.92 0.00 -1.26 -5.02 105.19 111.98 2b2g n GLY 73 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2b2g n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b2g s GLY 74 N -1.99 1.59 -0.42 -0.02 0.00 0.33 -5.02 107.32 101.79 2b2g s GLY 74 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.90 2b2g s GLY 74 CO 0.00 -0.15 0.48 0.14 0.00 0.00 0.00 173.10 173.57 2b2g s VAL 75 N -3.56 5.03 -0.30 1.40 1.01 -1.26 -4.98 120.40 117.75 2b2g s VAL 75 Ca 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 2b2g s VAL 75 Cb -0.11 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.23 2b2g s VAL 75 CO 0.49 -0.46 0.01 -1.61 0.00 0.00 0.00 175.10 173.53 2b2g s GLU 76 N 2.29 2.60 0.14 2.72 2.02 -1.26 -5.09 118.70 122.11 2b2g s GLU 76 Ca 0.14 -1.16 0.10 0.00 0.02 0.00 0.00 54.97 54.07 2b2g s GLU 76 Cb -0.16 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2b2g s GLU 76 CO 0.15 -0.57 -0.22 -0.51 0.02 0.00 0.00 175.26 174.13 2b2g s LEU 77 N 1.31 2.53 0.40 1.80 2.01 -1.26 -4.07 118.68 121.40 2b2g s LEU 77 Ca -0.03 -0.69 -0.23 0.00 0.01 0.00 0.00 54.13 53.19 2b2g s LEU 77 Cb -0.19 -1.36 -0.10 0.00 0.01 0.00 0.00 46.19 44.55 2b2g s LEU 77 CO -0.01 0.16 0.99 -2.16 1.01 0.00 0.00 176.35 176.35 2b2g s PRO 78 N -2.25 4.26 0.36 1.29 0.04 -1.26 -5.01 135.00 132.43 2b2g s PRO 78 Ca 0.17 1.33 0.09 0.00 0.04 0.00 0.00 61.00 62.64 2b2g s PRO 78 Cb -0.10 -2.46 0.83 0.00 0.04 0.00 0.00 34.50 32.81 2b2g s PRO 78 CO 0.09 -0.02 1.89 0.28 0.04 0.00 0.00 177.00 179.27 2b2g h VAL 79 N 2.16 0.85 0.00 -0.36 2.07 -2.00 -1.08 116.25 117.89 2b2g h VAL 79 Ca -0.48 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2b2g h VAL 79 Cb 1.20 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2b2g h VAL 79 CO 0.62 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 178.33 2b2g h ALA 80 N 1.60 1.02 0.00 1.67 0.00 -1.93 -1.66 119.26 119.97 2b2g h ALA 80 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2b2g h ALA 80 Cb 0.68 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2b2g h ALA 80 CO -0.18 0.01 -0.47 0.00 0.00 0.00 0.00 179.25 178.60 2b2g h ALA 81 N 1.99 0.77 -0.45 0.00 0.00 -1.59 -3.35 119.26 116.64 2b2g h ALA 81 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b2g h ALA 81 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b2g h ALA 81 CO 0.00 0.04 0.00 0.91 0.00 0.00 0.00 179.25 180.20 2b2g n TRP 82 N -2.92 0.63 -3.89 0.00 7.02 -0.64 -4.91 117.44 112.74 2b2g n TRP 82 Ca 0.02 -0.51 -0.11 0.00 -1.02 0.00 0.00 57.50 55.87 2b2g n TRP 82 Cb 0.55 -0.03 -0.12 0.00 -2.42 0.00 0.00 31.31 29.29 2b2g n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2b2g s ARG 83 N -1.08 0.23 0.00 -0.99 0.52 -1.14 -0.89 118.95 115.60 2b2g s ARG 83 Ca 0.31 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.35 2b2g s ARG 83 Cb 0.17 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.69 2b2g s ARG 83 CO 0.20 -0.04 -0.08 -1.12 0.02 0.00 0.00 175.30 174.28 2b2g s SER 84 N -0.67 4.52 -0.08 0.23 0.01 0.05 -4.91 113.70 112.85 2b2g s SER 84 Ca -0.08 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2b2g s SER 84 Cb -0.05 -1.03 0.01 0.00 0.21 0.00 0.00 66.02 65.16 2b2g s SER 84 CO 0.00 0.29 -0.18 -0.31 0.41 0.00 0.00 173.24 173.44 2b2g s TYR 85 N -0.97 2.02 -0.13 2.43 2.02 -1.26 -1.36 117.35 120.10 2b2g s TYR 85 Ca 0.16 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 2b2g s TYR 85 Cb -0.11 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2b2g s TYR 85 CO 0.07 -0.34 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.40 2b2g s LEU 86 N 0.46 2.67 -0.30 -1.29 2.96 0.78 -4.99 118.68 118.97 2b2g s LEU 86 Ca -0.16 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2b2g s LEU 86 Cb -0.17 -1.60 0.09 0.00 0.50 0.00 0.00 46.19 45.02 2b2g s LEU 86 CO 0.06 0.15 0.07 -0.55 -1.32 0.00 0.00 176.35 174.77 2b2g s SER 87 N 0.41 4.09 -0.03 3.68 0.15 -1.26 -0.86 113.70 119.87 2b2g s SER 87 Ca -0.11 -1.65 -0.06 0.00 0.70 0.00 0.00 55.95 54.84 2b2g s SER 87 Cb -0.16 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2b2g s SER 87 CO 0.05 -0.39 0.21 -0.04 1.20 0.00 0.00 173.24 174.27 2b2g s MET 88 N 1.48 3.51 -0.18 5.44 -1.94 0.65 -4.99 119.30 123.26 2b2g s MET 88 Ca 0.08 -0.15 -0.04 0.00 -1.71 0.00 0.00 55.69 53.86 2b2g s MET 88 Cb -0.18 -3.12 0.06 0.00 2.01 0.00 0.00 34.83 33.60 2b2g s MET 88 CO -0.19 0.70 0.08 -2.00 -0.01 0.00 0.00 175.02 173.59 2b2g s GLU 89 N -1.59 0.21 -0.30 2.03 2.12 -1.26 -1.26 118.70 118.65 2b2g s GLU 89 Ca 0.24 -0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.32 2b2g s GLU 89 Cb -0.13 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2b2g s GLU 89 CO 0.13 -0.66 0.12 -1.17 -0.54 0.00 0.00 175.26 173.14 2b2g s LEU 90 N 2.07 3.98 -0.23 2.70 2.96 -0.17 -4.96 118.68 125.03 2b2g s LEU 90 Ca 0.01 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 2b2g s LEU 90 Cb -0.16 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2b2g s LEU 90 CO -0.09 -0.19 0.15 -0.89 -1.32 0.00 0.00 176.35 174.00 2b2g s THR 91 N 1.55 5.27 -0.10 3.68 2.01 -1.26 -0.34 115.64 126.45 2b2g s THR 91 Ca 0.04 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 2b2g s THR 91 Cb -0.17 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2b2g s THR 91 CO 0.04 0.36 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.63 2b2g s ILE 92 N 0.99 0.93 0.56 1.82 1.01 -0.22 -4.98 121.20 121.31 2b2g s ILE 92 Ca 0.07 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 2b2g s ILE 92 Cb -0.13 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 2b2g s ILE 92 CO 0.04 0.35 1.29 -2.65 0.00 0.00 0.00 174.94 173.97 2b2g n PRO 93 N 4.90 1.51 0.05 2.79 -0.02 -1.26 -1.28 135.00 141.70 2b2g n PRO 93 Ca -0.12 0.56 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 2b2g n PRO 93 Cb 0.50 -2.50 0.20 0.00 -0.02 0.00 0.00 33.50 31.69 2b2g n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2b2g n ILE 94 N -1.20 1.62 0.75 4.25 -5.35 0.05 -1.81 119.36 117.67 2b2g n ILE 94 Ca 0.11 0.54 0.13 0.00 -0.27 0.00 0.00 62.75 63.26 2b2g n ILE 94 Cb 0.45 -1.52 0.37 0.00 -1.74 0.00 0.00 39.64 37.20 2b2g n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2b2g n PHE 95 N -1.74 0.48 -1.93 4.28 3.72 -1.26 -4.86 117.46 116.15 2b2g n PHE 95 Ca -0.00 0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 2b2g n PHE 95 Cb 0.03 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 37.88 2b2g n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b2g s ALA 96 N -3.08 3.73 0.72 4.37 0.00 -0.75 -5.00 121.76 121.75 2b2g s ALA 96 Ca 0.10 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 2b2g s ALA 96 Cb 0.15 -3.66 0.12 0.00 0.00 0.00 0.00 23.12 19.73 2b2g s ALA 96 CO 0.63 -0.96 1.00 0.95 0.00 0.00 0.00 175.76 177.38 2b2g s THR 97 N 2.00 2.18 0.23 0.00 -4.23 -1.26 -4.86 115.64 109.69 2b2g s THR 97 Ca 0.72 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 60.63 2b2g s THR 97 Cb -0.42 -2.64 0.18 0.00 1.34 0.00 0.00 72.50 70.96 2b2g s THR 97 CO 0.32 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.98 2b2g h ASN 98 N -0.57 0.56 -0.22 3.99 4.21 -1.99 -0.45 115.58 121.11 2b2g h ASN 98 Ca -0.38 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.18 2b2g h ASN 98 Cb 1.27 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.40 2b2g h ASN 98 CO 0.42 0.34 0.13 0.28 -1.29 0.00 0.00 177.43 177.31 2b2g h SER 99 N 0.69 0.23 -0.64 5.81 0.02 -1.99 -0.08 113.55 117.59 2b2g h SER 99 Ca 0.34 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.38 2b2g h SER 99 Cb 0.29 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 2b2g h SER 99 CO -0.23 0.17 0.29 0.44 -1.14 0.00 0.00 176.83 176.36 2b2g h ASP 100 N 0.28 0.35 -0.11 3.07 3.32 -1.69 -1.26 116.42 120.38 2b2g h ASP 100 Ca 0.08 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2b2g h ASP 100 Cb -0.02 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2b2g h ASP 100 CO -0.03 0.21 -0.10 0.00 -1.72 0.00 0.00 179.24 177.61 2b2g h GLU 102 N 0.40 0.78 -0.33 0.00 5.08 0.10 -1.42 114.58 119.19 2b2g h GLU 102 Ca 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2b2g h GLU 102 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2b2g h GLU 102 CO 0.02 0.78 0.16 1.25 -1.00 0.00 0.00 179.01 180.22 2b2g h LEU 103 N 0.73 0.43 -0.92 1.33 5.85 -0.63 -1.15 115.31 120.96 2b2g h LEU 103 Ca 0.14 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2b2g h LEU 103 Cb 0.44 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2b2g h LEU 103 CO 0.02 0.44 0.59 0.40 -0.34 0.00 0.00 178.44 179.55 2b2g h ILE 104 N 0.39 1.10 -0.41 4.05 2.04 -1.01 -0.12 117.51 123.56 2b2g h ILE 104 Ca 0.11 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2b2g h ILE 104 Cb 0.12 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 2b2g h ILE 104 CO -0.01 0.20 0.04 0.58 0.00 0.00 0.00 178.15 178.96 2b2g h VAL 105 N 1.10 1.25 -0.96 1.67 2.07 -0.87 -1.98 116.25 118.53 2b2g h VAL 105 Ca 0.39 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2b2g h VAL 105 Cb 0.10 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2b2g h VAL 105 CO -0.15 0.31 0.61 0.11 0.02 0.00 0.00 177.57 178.47 2b2g h LYS 106 N 0.53 1.29 -0.76 1.57 1.57 -0.47 -0.18 116.57 120.13 2b2g h LYS 106 Ca 0.12 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2b2g h LYS 106 Cb 0.41 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2b2g h LYS 106 CO 0.01 0.88 0.47 0.00 -0.57 0.00 0.00 179.45 180.24 2b2g h ALA 107 N 1.34 0.96 -0.64 3.86 0.00 -0.82 0.13 119.26 124.09 2b2g h ALA 107 Ca 0.35 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2b2g h ALA 107 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2b2g h ALA 107 CO -0.07 0.42 0.09 0.52 0.00 0.00 0.00 179.25 180.21 2b2g h MET 108 N 1.03 1.06 -0.45 0.00 2.86 -0.55 -0.38 114.93 118.51 2b2g h MET 108 Ca 0.27 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2b2g h MET 108 Cb -0.06 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 2b2g h MET 108 CO -0.05 0.99 0.13 1.96 1.06 0.00 0.00 176.91 180.99 2b2g h GLN 109 N 0.98 0.71 -0.41 1.72 4.20 -0.45 -2.77 115.11 119.08 2b2g h GLN 109 Ca 0.19 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2b2g h GLN 109 Cb 0.45 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2b2g h GLN 109 CO 0.01 0.69 0.00 0.78 -0.67 0.00 0.00 178.83 179.65 2b2g h GLY 110 N 0.59 0.70 0.80 3.46 0.00 -0.53 0.13 103.07 108.21 2b2g h GLY 110 Ca 0.14 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2b2g h GLY 110 CO -0.00 0.41 0.34 -2.00 0.00 0.00 0.00 176.54 175.28 2b2g h LEU 111 N 0.62 0.53 -1.90 3.11 5.85 -0.80 -2.80 115.31 119.91 2b2g h LEU 111 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2b2g h LEU 111 Cb 0.38 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2b2g h LEU 111 CO 0.01 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.66 2b2g n LEU 112 N -4.78 2.86 -4.66 2.25 4.77 -1.03 -4.41 117.00 112.00 2b2g n LEU 112 Ca 0.06 -1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 54.45 2b2g n LEU 112 Cb 0.11 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2b2g n LEU 112 CO 0.31 0.60 0.70 1.17 -1.33 0.00 0.00 177.39 178.84 2b2g n LYS 113 N 1.11 1.20 -1.74 3.23 4.81 0.00 -4.80 118.16 121.98 2b2g n LYS 113 Ca 0.18 0.45 -0.42 0.00 -0.87 0.00 0.00 58.31 57.65 2b2g n LYS 113 Cb 0.52 -2.29 -0.02 0.00 0.02 0.00 0.00 35.03 33.26 2b2g n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2b2g n ASP 114 N -0.74 3.86 0.00 3.14 2.03 -1.26 -2.27 116.55 121.31 2b2g n ASP 114 Ca 0.12 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.56 2b2g n ASP 114 Cb 0.45 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 2b2g n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b2g n GLY 115 N 2.57 2.31 3.84 0.27 0.00 -1.26 -5.05 105.19 107.88 2b2g n GLY 115 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2b2g n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b2g s ASN 116 N -1.76 6.38 0.10 1.61 0.01 -0.96 -4.87 114.94 115.46 2b2g s ASN 116 Ca 0.00 1.57 -0.22 0.00 -0.71 0.00 0.00 52.86 53.50 2b2g s ASN 116 Cb 0.00 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 2b2g s ASN 116 CO 0.00 -0.75 1.38 1.55 -1.51 0.00 0.00 177.10 177.77 2b2g h PRO 117 N 0.53 -0.13 -0.06 -0.60 0.13 -1.89 -2.20 132.00 127.77 2b2g h PRO 117 Ca -0.46 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2b2g h PRO 117 Cb 1.19 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2b2g h PRO 117 CO 0.61 -0.09 -0.46 0.82 -0.23 0.00 0.00 178.00 178.66 2b2g h ILE 118 N -0.13 0.10 -0.62 -3.56 1.08 -1.95 0.37 117.51 112.80 2b2g h ILE 118 Ca 0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.53 2b2g h ILE 118 Cb 0.35 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 2b2g h ILE 118 CO -0.54 0.00 0.29 1.55 -0.69 0.00 0.00 178.15 178.76 2b2g h PRO 119 N -0.57 0.89 0.00 2.37 0.13 -1.75 -2.03 132.00 131.04 2b2g h PRO 119 Ca 0.05 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2b2g h PRO 119 Cb 0.66 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2b2g h PRO 119 CO -0.37 0.69 -0.10 0.66 -0.23 0.00 0.00 178.00 178.65 2b2g h SER 120 N 0.88 0.00 0.01 1.44 4.64 -0.97 -1.18 113.55 118.38 2b2g h SER 120 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2b2g h SER 120 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2b2g h SER 120 CO -0.03 0.10 -0.01 0.00 -0.87 0.00 0.00 176.83 176.03 2b2g h ALA 121 N 1.90 -0.02 -0.27 5.18 0.00 -0.34 -3.14 119.26 122.56 2b2g h ALA 121 Ca -0.00 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2b2g h ALA 121 Cb 0.73 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2b2g h ALA 121 CO 0.01 -0.15 0.04 0.82 0.00 0.00 0.00 179.25 179.97 2b2g h ILE 122 N -0.74 0.85 0.00 0.00 2.04 -1.30 -0.50 117.51 117.86 2b2g h ILE 122 Ca -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2b2g h ILE 122 Cb 0.70 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2b2g h ILE 122 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.18 2b2g n ALA 123 N -2.36 1.36 -1.44 1.87 0.00 -0.45 -2.02 120.51 117.47 2b2g n ALA 123 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2b2g n ALA 123 Cb 0.13 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.62 2b2g n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b2g n ALA 124 N -1.32 2.46 -3.99 0.00 0.00 -0.70 -4.98 120.51 111.98 2b2g n ALA 124 Ca 0.02 -2.40 -0.27 0.00 0.00 0.00 0.00 53.44 50.79 2b2g n ALA 124 Cb 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 2b2g n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b2g n ASN 125 N -0.97 -1.13 -4.35 0.00 3.02 -0.85 -4.94 115.26 106.04 2b2g n ASN 125 Ca 0.13 -0.98 -0.23 0.00 -0.03 0.00 0.00 54.58 53.46 2b2g n ASN 125 Cb 0.69 -3.10 -0.10 0.00 -0.61 0.00 0.00 39.78 36.66 2b2g n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2b2g s SER 126 N -4.12 2.48 0.00 6.41 0.01 -0.28 -5.05 113.70 113.14 2b2g s SER 126 Ca 0.17 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2b2g s SER 126 Cb -0.09 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2b2g s SER 126 CO 0.89 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2b2g n GLY 127 N -0.76 5.80 3.82 3.44 0.00 -1.26 -4.33 105.19 111.90 2b2g n GLY 127 Ca -0.04 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 2b2g n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b2g s ILE 128 N 1.49 5.47 0.00 -0.61 -1.09 -1.26 -4.85 121.20 120.35 2b2g s ILE 128 Ca 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2b2g s ILE 128 Cb 0.00 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 2b2g s ILE 128 CO 0.00 0.55 0.00 0.00 -1.23 0.00 0.00 174.94 174.26