#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2e n SER 2 N 0.00 0.00 -0.18 0.00 2.88 -1.26 -5.07 113.62 109.99 2b2e n SER 2 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2b2e n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2b2e n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2b2e n ASN 3 N 0.00 1.09 -3.71 -3.46 2.04 -1.26 -4.81 115.26 105.16 2b2e n ASN 3 Ca 0.00 -1.05 -0.42 0.00 -0.44 0.00 0.00 54.58 52.67 2b2e n ASN 3 Cb 0.00 0.42 -0.00 0.00 -2.53 0.00 0.00 39.78 37.67 2b2e n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2b2e n PHE 4 N -0.24 3.29 -4.61 -2.53 7.35 -1.26 -4.90 117.46 114.57 2b2e n PHE 4 Ca 0.03 -2.95 -0.28 0.00 -0.76 0.00 0.00 57.45 53.50 2b2e n PHE 4 Cb 0.16 -2.42 -0.10 0.00 0.35 0.00 0.00 39.48 37.46 2b2e n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b2e s THR 5 N 2.47 1.75 0.55 -2.13 -4.23 -1.26 -4.86 115.64 107.91 2b2e s THR 5 Ca 0.48 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 2b2e s THR 5 Cb 0.14 -2.85 -0.06 0.00 1.34 0.00 0.00 72.50 71.07 2b2e s THR 5 CO -0.07 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.05 2b2e s GLN 6 N -3.76 3.55 0.20 3.99 -2.07 -1.26 -4.69 119.66 115.62 2b2e s GLN 6 Ca 0.31 1.24 -0.11 0.00 -1.82 0.00 0.00 55.36 54.98 2b2e s GLN 6 Cb 0.09 -2.06 -0.00 0.00 -1.09 0.00 0.00 33.01 29.94 2b2e s GLN 6 CO 0.16 -0.62 0.38 -0.59 -1.32 0.00 0.00 175.29 173.30 2b2e s PHE 7 N -2.29 0.33 -0.32 9.60 -0.71 -1.03 -5.03 117.98 118.52 2b2e s PHE 7 Ca 0.65 -0.68 -0.22 0.00 -1.04 0.00 0.00 56.93 55.63 2b2e s PHE 7 Cb -0.16 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.74 2b2e s PHE 7 CO 0.30 -0.84 0.74 0.08 -1.34 0.00 0.00 175.22 174.16 2b2e s VAL 8 N -3.98 4.82 -0.12 -2.49 1.01 -1.26 -1.91 120.40 116.47 2b2e s VAL 8 Ca 0.18 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 2b2e s VAL 8 Cb 0.01 -4.12 -0.26 0.00 0.00 0.00 0.00 36.38 32.02 2b2e s VAL 8 CO 0.03 -0.26 0.47 0.25 0.00 0.00 0.00 175.10 175.59 2b2e h LEU 9 N 9.43 0.31 -8.07 3.92 5.85 -1.58 -3.44 115.31 121.73 2b2e h LEU 9 Ca -0.25 -0.82 -0.67 0.00 0.84 0.00 0.00 57.88 56.98 2b2e h LEU 9 Cb 1.10 -0.10 -0.34 0.00 0.37 0.00 0.00 40.66 41.69 2b2e h LEU 9 CO 0.87 1.63 -0.80 -0.69 -0.34 0.00 0.00 178.44 179.10 2b2e s VAL 10 N -2.47 2.46 -0.44 1.05 1.01 -1.07 -5.00 120.40 115.94 2b2e s VAL 10 Ca -0.22 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 2b2e s VAL 10 Cb 0.05 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.29 2b2e s VAL 10 CO 0.73 0.30 0.33 -0.62 0.00 0.00 0.00 175.10 175.84 2b2e s ASP 11 N 1.28 5.97 -0.19 3.32 2.15 -1.26 -1.16 116.67 126.77 2b2e s ASP 11 Ca 0.00 -1.31 0.15 0.00 0.43 0.00 0.00 52.55 51.83 2b2e s ASP 11 Cb -0.16 -2.11 0.68 0.00 -0.30 0.00 0.00 42.92 41.03 2b2e s ASP 11 CO -0.08 -0.58 1.59 0.59 -0.17 0.00 0.00 175.17 176.53 2b2e n ASN 12 N 5.10 4.80 -2.05 -0.34 3.02 -1.26 -4.99 115.26 119.54 2b2e n ASN 12 Ca -0.12 -2.85 -0.01 0.00 -0.03 0.00 0.00 54.58 51.57 2b2e n ASN 12 Cb 0.44 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2b2e n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b2e n GLY 13 N 0.27 -2.96 5.00 7.41 0.00 -1.26 -4.46 105.19 109.20 2b2e n GLY 13 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2b2e n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2e n GLY 14 N 0.16 0.38 3.79 -0.02 0.00 -1.26 -4.80 105.19 103.45 2b2e n GLY 14 Ca 0.01 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2b2e n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b2e s THR 15 N 0.00 5.29 0.00 2.61 -4.23 -1.26 -4.11 115.64 113.94 2b2e s THR 15 Ca 0.00 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2b2e s THR 15 Cb 0.00 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2b2e s THR 15 CO 0.00 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 2b2e n GLY 16 N 2.66 0.86 3.71 3.99 0.00 -1.26 -4.63 105.19 110.53 2b2e n GLY 16 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2b2e n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b2e n ASP 17 N 0.00 2.47 -4.19 1.61 9.92 -1.26 -4.69 116.55 120.42 2b2e n ASP 17 Ca 0.00 1.03 -0.36 0.00 -0.53 0.00 0.00 54.79 54.93 2b2e n ASP 17 Cb 0.00 -1.53 -0.13 0.00 -0.64 0.00 0.00 41.12 38.82 2b2e n ASP 17 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2b2e s VAL 18 N -1.27 3.20 -0.13 2.53 1.01 -0.31 -5.00 120.40 120.43 2b2e s VAL 18 Ca 0.67 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 2b2e s VAL 18 Cb -0.46 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2b2e s VAL 18 CO 0.53 -0.17 0.20 -0.89 0.00 0.00 0.00 175.10 174.78 2b2e s THR 19 N 1.28 5.38 -0.09 3.92 2.01 -1.26 -1.37 115.64 125.51 2b2e s THR 19 Ca -0.03 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.37 2b2e s THR 19 Cb -0.20 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2b2e s THR 19 CO -0.00 0.53 -0.22 0.54 -0.69 0.00 0.00 174.62 174.77 2b2e s VAL 20 N -0.42 2.27 0.24 3.82 0.11 -0.80 -4.41 120.40 121.20 2b2e s VAL 20 Ca 0.15 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.34 2b2e s VAL 20 Cb -0.13 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2b2e s VAL 20 CO 0.04 0.56 -0.18 0.00 -3.33 0.00 0.00 175.10 172.19 2b2e s ALA 21 N 0.11 2.43 0.33 1.54 0.00 -0.55 -2.47 121.76 123.16 2b2e s ALA 21 Ca -0.11 -1.77 -0.28 0.00 0.00 0.00 0.00 51.96 49.80 2b2e s ALA 21 Cb -0.16 -0.20 -0.13 0.00 0.00 0.00 0.00 23.12 22.64 2b2e s ALA 21 CO 0.06 0.21 1.25 -0.35 0.00 0.00 0.00 175.76 176.93 2b2e n PRO 22 N -0.45 2.01 0.00 0.00 -0.04 -1.26 0.30 135.00 135.56 2b2e n PRO 22 Ca -0.07 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2b2e n PRO 22 Cb 0.60 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 2b2e n PRO 22 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2b2e n SER 23 N 0.88 0.00 -3.52 3.54 3.41 0.21 -4.77 113.62 113.36 2b2e n SER 23 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2b2e n SER 23 Cb 0.35 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 2b2e n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b2e s ASN 24 N 0.00 -0.51 0.00 4.04 2.47 -1.15 -4.99 114.94 114.80 2b2e s ASN 24 Ca 0.00 0.43 0.09 0.00 0.42 0.00 0.00 52.86 53.80 2b2e s ASN 24 Cb 0.00 0.45 0.15 0.00 -1.45 0.00 0.00 41.25 40.40 2b2e s ASN 24 CO 0.00 -0.56 0.98 0.33 -3.72 0.00 0.00 177.10 174.12 2b2e n PHE 25 N 0.54 0.00 -2.29 0.43 7.35 -1.26 -1.24 117.46 120.99 2b2e n PHE 25 Ca -0.14 -0.30 -0.42 0.00 -0.76 0.00 0.00 57.45 55.83 2b2e n PHE 25 Cb 0.59 0.10 -0.03 0.00 0.35 0.00 0.00 39.48 40.49 2b2e n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b2e s ALA 26 N 0.00 3.54 -0.50 3.13 0.00 -1.26 -2.99 121.76 123.68 2b2e s ALA 26 Ca 0.12 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2b2e s ALA 26 Cb 0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2b2e s ALA 26 CO -0.06 -0.78 0.00 0.09 0.00 0.00 0.00 175.76 175.01 2b2e n ASN 27 N 4.96 -3.00 0.00 0.00 3.02 -1.26 -3.06 115.26 115.92 2b2e n ASN 27 Ca 0.12 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2b2e n ASN 27 Cb 0.44 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2b2e n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b2e n GLY 28 N -1.76 0.31 3.35 7.41 0.00 -1.16 -4.95 105.19 108.40 2b2e n GLY 28 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 2b2e n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2e s VAL 29 N -1.70 4.99 0.29 1.61 1.01 -1.17 -4.75 120.40 120.68 2b2e s VAL 29 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 2b2e s VAL 29 Cb 0.00 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 2b2e s VAL 29 CO 0.00 -0.99 1.27 0.00 0.00 0.00 0.00 175.10 175.38 2b2e s ALA 30 N 2.21 3.49 -0.06 5.51 0.00 -1.00 -4.06 121.76 127.86 2b2e s ALA 30 Ca 0.08 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2b2e s ALA 30 Cb -0.26 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.43 2b2e s ALA 30 CO 0.05 -0.53 -0.06 -2.00 0.00 0.00 0.00 175.76 173.23 2b2e s GLU 31 N -1.28 1.02 0.08 0.00 2.12 -0.37 -1.91 118.70 118.35 2b2e s GLU 31 Ca 0.50 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.75 2b2e s GLU 31 Cb -0.38 -1.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.96 2b2e s GLU 31 CO 0.47 -0.10 -0.10 -1.58 -0.54 0.00 0.00 175.26 173.41 2b2e s TRP 32 N 1.05 2.76 -0.02 5.30 0.51 0.60 0.68 118.94 129.83 2b2e s TRP 32 Ca -0.09 -0.14 -0.11 0.00 -2.12 0.00 0.00 56.10 53.65 2b2e s TRP 32 Cb -0.14 -1.48 0.01 0.00 -0.81 0.00 0.00 33.47 31.06 2b2e s TRP 32 CO -0.01 0.40 0.23 -1.50 -0.51 0.00 0.00 176.95 175.57 2b2e s ILE 33 N -1.15 0.06 0.83 2.03 2.07 0.15 -1.66 121.20 123.52 2b2e s ILE 33 Ca 0.20 -0.50 -0.12 0.00 -1.41 0.00 0.00 60.65 58.83 2b2e s ILE 33 Cb -0.11 -0.51 0.11 0.00 0.13 0.00 0.00 42.46 42.08 2b2e s ILE 33 CO 0.12 -0.27 1.19 -0.94 -1.91 0.00 0.00 174.94 173.12 2b2e s SER 34 N -1.15 4.22 -1.40 4.50 1.04 -0.74 -1.48 113.70 118.69 2b2e s SER 34 Ca -0.12 0.59 -0.07 0.00 0.48 0.00 0.00 55.95 56.83 2b2e s SER 34 Cb -0.06 -1.00 0.07 0.00 0.10 0.00 0.00 66.02 65.14 2b2e s SER 34 CO 0.03 -2.06 2.47 -0.24 0.98 0.00 0.00 173.24 174.42 2b2e n SER 35 N -3.36 7.78 -2.79 7.02 2.88 -1.26 -4.82 113.62 119.07 2b2e n SER 35 Ca 0.10 -2.99 -0.15 0.00 -1.33 0.00 0.00 58.87 54.49 2b2e n SER 35 Cb 0.61 -1.43 -0.05 0.00 -0.75 0.00 0.00 64.21 62.59 2b2e n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2b2e n ASN 36 N 2.53 0.36 -4.78 -3.46 3.02 -1.26 -5.12 115.26 106.55 2b2e n ASN 36 Ca 0.64 -2.46 -0.36 0.00 -0.03 0.00 0.00 54.58 52.37 2b2e n ASN 36 Cb 0.26 0.89 -0.04 0.00 -0.61 0.00 0.00 39.78 40.28 2b2e n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2b2e s SER 37 N -2.62 6.75 0.35 6.41 1.04 -1.26 -4.82 113.70 119.54 2b2e s SER 37 Ca 0.20 2.02 0.12 0.00 0.48 0.00 0.00 55.95 58.78 2b2e s SER 37 Cb 0.01 -2.58 0.95 0.00 0.10 0.00 0.00 66.02 64.50 2b2e s SER 37 CO 0.14 -0.50 1.75 0.03 0.98 0.00 0.00 173.24 175.64 2b2e h ARG 38 N 2.45 0.51 -0.94 4.02 2.47 -1.96 0.29 114.38 121.23 2b2e h ARG 38 Ca -0.48 -0.03 0.18 0.00 -1.26 0.00 0.00 59.98 58.38 2b2e h ARG 38 Cb 1.21 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.34 2b2e h ARG 38 CO 0.62 0.34 0.60 1.03 0.56 0.00 0.00 179.97 183.12 2b2e h SER 39 N 0.53 0.63 -0.82 7.04 0.87 -1.98 -3.19 113.55 116.63 2b2e h SER 39 Ca 0.63 0.06 -0.39 0.00 -1.23 0.00 0.00 61.79 60.85 2b2e h SER 39 Cb 1.31 -0.06 -0.41 0.00 -0.44 0.00 0.00 62.40 62.80 2b2e h SER 39 CO -0.41 0.27 -1.02 0.00 -0.53 0.00 0.00 176.83 175.14 2b2e n GLN 40 N -4.61 2.19 -4.09 2.24 10.64 0.05 -5.02 117.38 118.79 2b2e n GLN 40 Ca 0.20 -3.72 -0.23 0.00 -1.83 0.00 0.00 57.00 51.42 2b2e n GLN 40 Cb 0.57 -1.73 -0.06 0.00 -0.86 0.00 0.00 30.24 28.16 2b2e n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2b2e s ALA 41 N -3.53 3.51 -0.05 2.61 0.00 -0.93 -4.70 121.76 118.67 2b2e s ALA 41 Ca 0.35 -1.70 -0.24 0.00 0.00 0.00 0.00 51.96 50.37 2b2e s ALA 41 Cb 0.39 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2b2e s ALA 41 CO -0.02 0.11 0.71 0.71 0.00 0.00 0.00 175.76 177.26 2b2e s TYR 42 N -2.34 3.60 0.01 0.00 1.51 -1.26 -4.50 117.35 114.36 2b2e s TYR 42 Ca 0.36 1.28 0.07 0.00 -1.01 0.00 0.00 57.07 57.78 2b2e s TYR 42 Cb -0.05 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 2b2e s TYR 42 CO 0.23 0.11 -0.21 0.21 -1.11 0.00 0.00 175.55 174.77 2b2e s LYS 43 N 0.72 1.59 -0.03 -0.62 2.20 -0.91 -1.80 119.74 120.88 2b2e s LYS 43 Ca 0.38 -0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2b2e s LYS 43 Cb -0.18 -1.63 0.03 0.00 -1.51 0.00 0.00 37.83 34.54 2b2e s LYS 43 CO 0.19 0.43 0.04 0.08 -0.36 0.00 0.00 175.35 175.73 2b2e s VAL 44 N -0.65 -0.07 0.05 4.02 1.01 -0.67 -1.01 120.40 123.07 2b2e s VAL 44 Ca 0.08 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2b2e s VAL 44 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2b2e s VAL 44 CO 0.01 0.11 -0.10 0.42 0.00 0.00 0.00 175.10 175.53 2b2e s THR 45 N 1.31 0.77 -0.07 3.92 -4.23 -0.36 -0.29 115.64 116.69 2b2e s THR 45 Ca -0.06 -1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 2b2e s THR 45 Cb -0.13 -0.79 0.04 0.00 1.34 0.00 0.00 72.50 72.96 2b2e s THR 45 CO -0.03 -0.28 0.39 0.00 -0.54 0.00 0.00 174.62 174.16 2b2e s SER 47 N -0.70 -0.50 0.04 0.00 1.04 -0.82 -2.37 113.70 110.39 2b2e s SER 47 Ca -0.08 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2b2e s SER 47 Cb -0.04 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2b2e s SER 47 CO 0.03 -0.88 -0.10 -0.69 0.98 0.00 0.00 173.24 172.59 2b2e s VAL 48 N -3.34 0.75 0.22 5.02 1.01 -1.26 -0.85 120.40 121.95 2b2e s VAL 48 Ca -0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 2b2e s VAL 48 Cb -0.00 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2b2e s VAL 48 CO -0.09 -0.18 0.66 0.00 0.00 0.00 0.00 175.10 175.48 2b2e s ARG 49 N -1.26 1.55 -0.58 2.72 1.70 -1.19 -5.00 118.95 116.89 2b2e s ARG 49 Ca -0.04 -0.76 -0.19 0.00 -0.47 0.00 0.00 55.73 54.27 2b2e s ARG 49 Cb -0.08 0.60 0.10 0.00 -0.57 0.00 0.00 34.95 34.99 2b2e s ARG 49 CO 0.01 -0.70 0.68 -1.14 -1.08 0.00 0.00 175.30 173.07 2b2e s GLN 50 N -3.85 3.05 0.05 3.89 0.74 -1.26 -0.85 119.66 121.44 2b2e s GLN 50 Ca 0.07 -1.28 -0.21 0.00 0.05 0.00 0.00 55.36 53.99 2b2e s GLN 50 Cb -0.04 -4.24 -0.10 0.00 1.10 0.00 0.00 33.01 29.73 2b2e s GLN 50 CO -0.02 -1.48 1.33 0.66 -0.55 0.00 0.00 175.29 175.23 2b2e h SER 51 N 9.14 -0.82 -1.69 6.67 4.64 -1.75 -3.46 113.55 126.27 2b2e h SER 51 Ca -0.29 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2b2e h SER 51 Cb 1.09 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2b2e h SER 51 CO 1.08 -0.40 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 2b2e n SER 52 N -4.19 1.48 0.11 4.97 3.41 -1.22 -5.01 113.62 113.17 2b2e n SER 52 Ca -0.07 -0.22 0.02 0.00 -0.26 0.00 0.00 58.87 58.34 2b2e n SER 52 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2b2e n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b2e h ALA 53 N 0.56 0.66 0.00 7.33 0.00 -2.04 -3.34 119.26 122.44 2b2e h ALA 53 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2b2e h ALA 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b2e h ALA 53 CO 0.00 0.67 -1.41 1.04 0.00 0.00 0.00 179.25 179.55 2b2e n GLN 54 N -3.13 0.28 -4.27 0.00 1.13 -1.26 -4.93 117.38 105.20 2b2e n GLN 54 Ca -0.01 -0.08 -0.18 0.00 -1.94 0.00 0.00 57.00 54.79 2b2e n GLN 54 Cb 0.75 -1.51 -0.11 0.00 0.11 0.00 0.00 30.24 29.48 2b2e n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2b2e s ASN 55 N -3.67 2.16 0.16 1.08 0.01 -1.25 -0.72 114.94 112.71 2b2e s ASN 55 Ca 0.01 -0.89 0.10 0.00 -0.71 0.00 0.00 52.86 51.37 2b2e s ASN 55 Cb 0.15 -0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.69 2b2e s ASN 55 CO 0.88 -0.16 -0.18 -0.13 -1.51 0.00 0.00 177.10 176.00 2b2e s ARG 56 N -3.03 1.76 -0.12 -0.60 0.52 -0.52 -2.23 118.95 114.73 2b2e s ARG 56 Ca 0.14 -1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 54.00 2b2e s ARG 56 Cb -0.03 -2.04 0.06 0.00 0.52 0.00 0.00 34.95 33.46 2b2e s ARG 56 CO 0.04 0.44 0.19 0.21 0.02 0.00 0.00 175.30 176.21 2b2e s LYS 57 N -2.47 0.09 0.06 3.54 2.20 -0.03 -1.30 119.74 121.83 2b2e s LYS 57 Ca 0.20 0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 56.08 2b2e s LYS 57 Cb -0.09 -0.41 -0.06 0.00 -1.51 0.00 0.00 37.83 35.76 2b2e s LYS 57 CO 0.11 -0.37 0.82 0.71 -0.36 0.00 0.00 175.35 176.26 2b2e s TYR 58 N 2.33 3.75 -0.21 4.03 1.51 0.54 -3.19 117.35 126.11 2b2e s TYR 58 Ca 0.03 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 57.67 2b2e s TYR 58 Cb -0.13 -2.88 0.04 0.00 -0.11 0.00 0.00 41.96 38.88 2b2e s TYR 58 CO -0.08 0.26 -0.15 0.99 -1.11 0.00 0.00 175.55 175.46 2b2e s THR 59 N -0.04 2.02 -0.09 -0.71 2.01 -0.03 -0.85 115.64 117.95 2b2e s THR 59 Ca 0.41 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2b2e s THR 59 Cb -0.21 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 2b2e s THR 59 CO 0.25 0.28 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.58 2b2e s ILE 60 N 1.24 2.03 -0.02 1.82 1.01 -0.19 -1.95 121.20 125.16 2b2e s ILE 60 Ca -0.01 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.68 2b2e s ILE 60 Cb -0.16 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2b2e s ILE 60 CO -0.09 0.56 -0.19 -0.54 0.00 0.00 0.00 174.94 174.67 2b2e s LYS 61 N 0.26 1.61 -0.03 2.79 1.02 -0.18 -0.02 119.74 125.19 2b2e s LYS 61 Ca -0.16 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.16 2b2e s LYS 61 Cb -0.17 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 2b2e s LYS 61 CO 0.08 0.40 -0.08 0.08 -0.92 0.00 0.00 175.35 174.92 2b2e s VAL 62 N -0.41 0.71 -0.14 3.17 1.01 -0.32 -1.22 120.40 123.20 2b2e s VAL 62 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2b2e s VAL 62 Cb -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2b2e s VAL 62 CO -0.00 0.24 -0.14 -1.61 0.00 0.00 0.00 175.10 173.59 2b2e s GLU 63 N 0.45 3.30 -0.11 2.72 2.02 -0.18 0.58 118.70 127.48 2b2e s GLU 63 Ca -0.07 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.22 2b2e s GLU 63 Cb -0.11 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.50 2b2e s GLU 63 CO 0.01 0.11 -0.13 0.08 0.02 0.00 0.00 175.26 175.35 2b2e s VAL 64 N 0.60 1.36 0.53 2.63 1.01 -0.21 -2.15 120.40 124.17 2b2e s VAL 64 Ca -0.08 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2b2e s VAL 64 Cb -0.16 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 2b2e s VAL 64 CO 0.03 0.42 1.07 -2.16 0.00 0.00 0.00 175.10 174.45 2b2e s PRO 65 N 1.17 3.55 0.02 2.72 0.04 -1.26 -0.29 135.00 140.94 2b2e s PRO 65 Ca -0.03 1.40 -0.27 0.00 0.04 0.00 0.00 61.00 62.13 2b2e s PRO 65 Cb -0.14 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2b2e s PRO 65 CO -0.04 -0.65 0.85 0.21 0.04 0.00 0.00 177.00 177.41 2b2e s LYS 66 N -3.45 4.54 -0.13 4.56 2.20 -0.21 -4.88 119.74 122.38 2b2e s LYS 66 Ca 0.68 1.20 0.11 0.00 -0.36 0.00 0.00 55.97 57.60 2b2e s LYS 66 Cb -0.18 -3.41 -0.15 0.00 -1.51 0.00 0.00 37.83 32.57 2b2e s LYS 66 CO 0.26 0.12 0.03 0.28 -0.36 0.00 0.00 175.35 175.68 2b2e n VAL 67 N 3.35 0.86 -1.68 4.02 0.31 -1.26 -4.72 118.33 119.22 2b2e n VAL 67 Ca 0.01 -0.52 -0.46 0.00 -0.01 0.00 0.00 64.34 63.37 2b2e n VAL 67 Cb 0.50 -0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.71 2b2e n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b2e n ALA 68 N -2.49 1.32 -0.96 3.52 0.00 -1.26 -0.46 120.51 120.17 2b2e n ALA 68 Ca -0.21 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2b2e n ALA 68 Cb 0.90 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2b2e n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b2e n THR 69 N 4.99 0.00 -1.72 0.00 -2.24 -1.26 -4.98 114.28 109.06 2b2e n THR 69 Ca 0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.61 2b2e n THR 69 Cb 0.34 -0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.25 2b2e n THR 69 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2b2e n GLN 70 N -1.45 1.24 -3.94 -0.78 7.27 0.39 -4.98 117.38 115.12 2b2e n GLN 70 Ca 0.00 0.48 -0.33 0.00 0.07 0.00 0.00 57.00 57.22 2b2e n GLN 70 Cb 0.17 -2.50 -0.14 0.00 2.41 0.00 0.00 30.24 30.18 2b2e n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2b2e s THR 71 N -1.37 2.64 -0.30 1.69 2.01 -1.26 -5.06 115.64 113.98 2b2e s THR 71 Ca 0.79 -2.11 -0.37 0.00 0.31 0.00 0.00 61.69 60.32 2b2e s THR 71 Cb -0.39 -2.83 -0.13 0.00 0.01 0.00 0.00 72.50 69.16 2b2e s THR 71 CO 0.43 -0.53 2.02 0.52 -0.69 0.00 0.00 174.62 176.37 2b2e n VAL 72 N 4.40 0.27 -0.25 3.82 0.31 -1.26 -0.58 118.33 125.05 2b2e n VAL 72 Ca -0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2b2e n VAL 72 Cb 0.42 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2b2e n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b2e n GLY 73 N 5.64 1.55 3.83 2.92 0.00 -1.26 -5.04 105.19 112.84 2b2e n GLY 73 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 2b2e n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b2e s GLY 74 N -1.87 1.65 -0.43 -0.02 0.00 0.25 -5.02 107.32 101.88 2b2e s GLY 74 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 2b2e s GLY 74 CO 0.00 -0.19 0.30 0.14 0.00 0.00 0.00 173.10 173.36 2b2e s VAL 75 N -3.52 4.70 -0.19 1.40 1.01 -1.26 -5.00 120.40 117.54 2b2e s VAL 75 Ca 0.68 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2b2e s VAL 75 Cb -0.09 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2b2e s VAL 75 CO 0.53 -0.48 -0.15 -1.83 0.00 0.00 0.00 175.10 173.16 2b2e s GLU 76 N 1.54 3.09 0.22 2.72 -1.05 -1.26 -5.11 118.70 118.85 2b2e s GLU 76 Ca 0.03 -0.78 0.10 0.00 -0.15 0.00 0.00 54.97 54.18 2b2e s GLU 76 Cb -0.23 -2.70 -0.04 0.00 -0.44 0.00 0.00 34.13 30.72 2b2e s GLU 76 CO 0.05 -0.21 -0.14 -0.51 0.95 0.00 0.00 175.26 175.40 2b2e s LEU 77 N 1.34 2.80 0.41 1.83 2.01 -1.26 -4.25 118.68 121.56 2b2e s LEU 77 Ca 0.05 -0.76 -0.21 0.00 0.01 0.00 0.00 54.13 53.22 2b2e s LEU 77 Cb -0.13 -1.42 -0.11 0.00 0.01 0.00 0.00 46.19 44.54 2b2e s LEU 77 CO -0.10 0.07 0.93 -2.16 1.01 0.00 0.00 176.35 176.10 2b2e s PRO 78 N -3.11 4.24 0.26 1.29 0.04 -1.26 -5.01 135.00 131.46 2b2e s PRO 78 Ca 0.26 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 2b2e s PRO 78 Cb -0.07 -2.26 0.47 0.00 0.04 0.00 0.00 34.50 32.68 2b2e s PRO 78 CO 0.15 0.02 1.83 0.28 0.04 0.00 0.00 177.00 179.31 2b2e h VAL 79 N 1.98 0.94 0.00 -0.36 2.07 -2.01 -1.24 116.25 117.63 2b2e h VAL 79 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2b2e h VAL 79 Cb 1.18 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2b2e h VAL 79 CO 0.62 0.17 0.00 0.00 0.02 0.00 0.00 177.57 178.38 2b2e n ALA 80 N -2.36 1.07 0.16 1.67 0.00 -1.26 -1.17 120.51 118.62 2b2e n ALA 80 Ca 0.16 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 2b2e n ALA 80 Cb 0.30 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 2b2e n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b2e n ALA 81 N -1.45 2.91 -0.47 0.00 0.00 -0.47 -4.35 120.51 116.68 2b2e n ALA 81 Ca 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.09 2b2e n ALA 81 Cb 0.00 -0.89 0.21 0.00 0.00 0.00 0.00 19.45 18.77 2b2e n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2b2e n TRP 82 N -2.30 0.70 -3.89 0.00 7.02 -0.32 -4.90 117.44 113.76 2b2e n TRP 82 Ca -0.01 -0.63 -0.11 0.00 -1.02 0.00 0.00 57.50 55.73 2b2e n TRP 82 Cb 0.53 -0.13 -0.12 0.00 -2.42 0.00 0.00 31.31 29.17 2b2e n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2b2e s ARG 83 N -1.64 0.21 -0.01 -0.99 0.52 -1.19 -1.05 118.95 114.81 2b2e s ARG 83 Ca 0.32 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2b2e s ARG 83 Cb 0.21 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.73 2b2e s ARG 83 CO 0.15 -0.04 -0.06 -1.12 0.02 0.00 0.00 175.30 174.25 2b2e s SER 84 N -0.60 4.68 -0.16 0.23 0.01 0.60 -4.92 113.70 113.54 2b2e s SER 84 Ca -0.07 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.10 2b2e s SER 84 Cb -0.04 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.08 2b2e s SER 84 CO 0.00 0.30 -0.21 -0.31 0.41 0.00 0.00 173.24 173.43 2b2e s TYR 85 N -0.97 2.72 -0.06 2.43 2.02 -1.26 -1.05 117.35 121.18 2b2e s TYR 85 Ca 0.16 -1.44 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 2b2e s TYR 85 Cb -0.11 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2b2e s TYR 85 CO 0.07 -0.68 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.16 2b2e s LEU 86 N 1.00 3.33 -0.23 -1.29 2.96 0.20 -4.99 118.68 119.66 2b2e s LEU 86 Ca -0.02 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2b2e s LEU 86 Cb -0.15 -1.78 0.10 0.00 0.50 0.00 0.00 46.19 44.86 2b2e s LEU 86 CO -0.06 0.35 0.22 -0.55 -1.32 0.00 0.00 176.35 174.99 2b2e s SER 87 N -1.00 1.77 -0.08 3.68 0.15 -1.26 -1.17 113.70 115.79 2b2e s SER 87 Ca 0.14 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 2b2e s SER 87 Cb -0.11 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 2b2e s SER 87 CO 0.03 -0.36 0.06 -0.04 1.20 0.00 0.00 173.24 174.14 2b2e s MET 88 N 2.30 3.14 -0.20 5.44 -1.94 0.97 -4.99 119.30 124.02 2b2e s MET 88 Ca 0.07 -0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2b2e s MET 88 Cb -0.15 -2.93 0.06 0.00 2.01 0.00 0.00 34.83 33.81 2b2e s MET 88 CO -0.20 0.72 -0.00 0.15 -0.01 0.00 0.00 175.02 175.68 2b2e s LYS 89 N -1.09 1.05 -0.32 2.03 1.02 -1.26 -1.02 119.74 120.16 2b2e s LYS 89 Ca 0.16 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 2b2e s LYS 89 Cb -0.12 -2.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 2b2e s LYS 89 CO 0.05 -0.59 0.13 -1.17 -0.92 0.00 0.00 175.35 172.85 2b2e s LEU 90 N 1.69 4.13 -0.23 3.17 2.96 -0.03 -4.97 118.68 125.39 2b2e s LEU 90 Ca -0.02 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 53.06 2b2e s LEU 90 Cb -0.17 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2b2e s LEU 90 CO -0.07 -0.24 0.12 -0.89 -1.32 0.00 0.00 176.35 173.95 2b2e s THR 91 N 1.54 5.03 -0.09 3.68 2.01 -1.26 -0.34 115.64 126.20 2b2e s THR 91 Ca 0.03 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 2b2e s THR 91 Cb -0.18 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.02 2b2e s THR 91 CO 0.04 0.36 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.64 2b2e s ILE 92 N 1.07 0.86 0.55 1.82 1.01 -0.42 -4.99 121.20 121.09 2b2e s ILE 92 Ca 0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2b2e s ILE 92 Cb -0.14 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2b2e s ILE 92 CO 0.04 0.33 1.24 -2.65 0.00 0.00 0.00 174.94 173.90 2b2e n PRO 93 N 4.76 1.47 0.32 2.79 -0.02 -1.26 -1.44 135.00 141.62 2b2e n PRO 93 Ca -0.14 0.55 0.21 0.00 -2.02 0.00 0.00 63.50 62.09 2b2e n PRO 93 Cb 0.50 -2.43 1.10 0.00 -0.02 0.00 0.00 33.50 32.65 2b2e n PRO 93 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2b2e h ILE 94 N 1.22 0.12 0.00 4.25 3.07 -1.27 -1.68 117.51 123.22 2b2e h ILE 94 Ca -0.50 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 65.84 2b2e h ILE 94 Cb 1.32 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2b2e h ILE 94 CO 0.56 0.01 0.00 0.49 -1.05 0.00 0.00 178.15 178.15 2b2e n PHE 95 N -3.24 0.00 -2.33 0.16 3.72 -1.26 -4.81 117.46 109.69 2b2e n PHE 95 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2b2e n PHE 95 Cb 0.10 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 2b2e n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b2e s ALA 96 N -2.43 3.46 0.69 4.37 0.00 -0.63 -5.02 121.76 122.20 2b2e s ALA 96 Ca 0.29 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2b2e s ALA 96 Cb 0.18 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.94 2b2e s ALA 96 CO 0.38 -0.48 0.96 0.95 0.00 0.00 0.00 175.76 177.56 2b2e s THR 97 N 0.88 2.24 0.13 0.00 -4.23 -1.26 -4.88 115.64 108.52 2b2e s THR 97 Ca 0.60 -0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 60.32 2b2e s THR 97 Cb -0.32 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 2b2e s THR 97 CO 0.31 0.00 1.72 0.78 -0.54 0.00 0.00 174.62 176.89 2b2e h ASN 98 N -0.43 -0.10 0.05 3.99 4.21 -1.99 -0.44 115.58 120.87 2b2e h ASN 98 Ca -0.38 0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.20 2b2e h ASN 98 Cb 1.27 0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 38.53 2b2e h ASN 98 CO 0.43 -0.02 -0.21 0.28 -1.29 0.00 0.00 177.43 176.62 2b2e h SER 99 N 0.05 -0.59 -0.69 5.81 0.02 -2.00 -0.65 113.55 115.50 2b2e h SER 99 Ca 0.09 0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.26 2b2e h SER 99 Cb 0.12 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 62.77 2b2e h SER 99 CO -0.17 -0.28 -0.13 0.44 -1.14 0.00 0.00 176.83 175.56 2b2e h ASP 100 N -0.36 -0.56 -0.45 3.07 3.32 -1.77 0.15 116.42 119.82 2b2e h ASP 100 Ca 0.04 0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2b2e h ASP 100 Cb 0.41 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2b2e h ASP 100 CO -0.16 -0.21 0.20 0.00 -1.72 0.00 0.00 179.24 177.35 2b2e h GLU 102 N 0.70 1.03 -0.29 0.00 5.08 0.76 -1.41 114.58 120.46 2b2e h GLU 102 Ca 0.17 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2b2e h GLU 102 Cb 0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2b2e h GLU 102 CO -0.02 0.74 0.16 1.25 -1.00 0.00 0.00 179.01 180.15 2b2e h LEU 103 N 1.03 0.27 -1.31 1.33 5.85 -0.65 -0.59 115.31 121.24 2b2e h LEU 103 Ca 0.27 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.08 2b2e h LEU 103 Cb -0.02 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2b2e h LEU 103 CO -0.05 0.20 0.53 0.40 -0.34 0.00 0.00 178.44 179.18 2b2e h ILE 104 N 0.34 0.96 -0.08 4.05 2.04 -0.97 0.13 117.51 123.98 2b2e h ILE 104 Ca 0.11 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2b2e h ILE 104 Cb -0.00 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2b2e h ILE 104 CO -0.05 0.14 -0.03 0.58 0.00 0.00 0.00 178.15 178.79 2b2e h VAL 105 N 0.77 1.30 -0.74 1.67 2.07 -0.39 -2.27 116.25 118.67 2b2e h VAL 105 Ca 0.37 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 67.01 2b2e h VAL 105 Cb 0.42 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 2b2e h VAL 105 CO -0.14 0.27 0.38 0.11 0.02 0.00 0.00 177.57 178.21 2b2e h LYS 106 N -0.19 0.63 -0.62 1.57 1.57 0.08 0.23 116.57 119.83 2b2e h LYS 106 Ca 0.02 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2b2e h LYS 106 Cb 0.44 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2b2e h LYS 106 CO 0.01 0.41 0.33 0.00 -0.57 0.00 0.00 179.45 179.64 2b2e h ALA 107 N 1.44 0.82 -0.61 3.86 0.00 -0.68 0.16 119.26 124.26 2b2e h ALA 107 Ca 0.37 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 2b2e h ALA 107 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2b2e h ALA 107 CO -0.27 0.00 0.00 0.52 0.00 0.00 0.00 179.25 179.51 2b2e h MET 108 N 0.63 1.07 -0.24 0.00 2.86 -0.33 -0.07 114.93 118.84 2b2e h MET 108 Ca 0.28 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2b2e h MET 108 Cb 0.17 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2b2e h MET 108 CO -0.18 1.04 0.12 1.96 1.06 0.00 0.00 176.91 180.92 2b2e h GLN 109 N 0.97 0.25 -0.67 1.72 4.20 0.43 -2.58 115.11 119.43 2b2e h GLN 109 Ca 0.17 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2b2e h GLN 109 Cb 0.56 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2b2e h GLN 109 CO 0.03 0.17 0.30 0.78 -0.67 0.00 0.00 178.83 179.44 2b2e h GLY 110 N 0.26 1.05 -0.09 3.46 0.00 -0.50 -1.38 103.07 105.88 2b2e h GLY 110 Ca 0.10 -0.54 0.24 0.00 0.00 0.00 0.00 47.33 47.13 2b2e h GLY 110 CO -0.06 0.51 0.61 -2.00 0.00 0.00 0.00 176.54 175.60 2b2e h LEU 111 N 0.94 0.66 -2.33 3.11 5.85 -0.61 -1.54 115.31 121.38 2b2e h LEU 111 Ca 0.23 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2b2e h LEU 111 Cb 0.15 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2b2e h LEU 111 CO -0.03 0.13 0.00 0.18 -0.34 0.00 0.00 178.44 178.39 2b2e n LEU 112 N -4.82 3.31 -4.71 2.25 4.77 -0.93 -4.43 117.00 112.45 2b2e n LEU 112 Ca 0.26 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.29 2b2e n LEU 112 Cb 0.74 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2b2e n LEU 112 CO 0.19 0.72 0.92 1.17 -1.33 0.00 0.00 177.39 179.06 2b2e n LYS 113 N 1.33 2.13 -1.67 3.23 4.81 -0.56 -4.83 118.16 122.60 2b2e n LYS 113 Ca 0.18 0.75 -0.48 0.00 -0.87 0.00 0.00 58.31 57.89 2b2e n LYS 113 Cb 0.56 -2.37 -0.05 0.00 0.02 0.00 0.00 35.03 33.19 2b2e n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2b2e n ASP 114 N 0.59 3.11 0.00 3.14 2.03 -1.26 -2.15 116.55 122.01 2b2e n ASP 114 Ca 0.05 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2b2e n ASP 114 Cb 0.37 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2b2e n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b2e n GLY 115 N 3.76 3.03 3.87 0.27 0.00 -1.26 -5.08 105.19 109.78 2b2e n GLY 115 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2b2e n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b2e s ASN 116 N -1.08 6.15 0.00 1.61 0.01 -0.92 -4.87 114.94 115.85 2b2e s ASN 116 Ca 0.00 1.38 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 2b2e s ASN 116 Cb 0.00 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.25 2b2e s ASN 116 CO 0.00 -0.91 1.00 -0.81 -1.51 0.00 0.00 177.10 174.87 2b2e n PRO 117 N -2.76 0.00 -0.38 -0.60 -0.04 -1.26 -1.72 135.00 128.23 2b2e n PRO 117 Ca 0.06 0.82 -0.07 0.00 -0.04 0.00 0.00 63.50 64.27 2b2e n PRO 117 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2b2e n PRO 117 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2b2e h ILE 118 N 0.00 0.01 -0.63 0.52 1.08 -1.95 0.33 117.51 116.86 2b2e h ILE 118 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2b2e h ILE 118 Cb 0.00 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 2b2e h ILE 118 CO 0.00 0.00 0.04 1.55 -0.69 0.00 0.00 178.15 179.05 2b2e h PRO 119 N -0.03 1.09 0.00 2.37 0.13 -1.77 -2.12 132.00 131.68 2b2e h PRO 119 Ca 0.23 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2b2e h PRO 119 Cb 0.50 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 2b2e h PRO 119 CO -0.94 1.03 -0.09 0.66 -0.23 0.00 0.00 178.00 178.44 2b2e h SER 120 N 1.00 0.00 0.05 1.44 4.64 -0.24 -0.74 113.55 119.70 2b2e h SER 120 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2b2e h SER 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2b2e h SER 120 CO 0.02 0.09 -0.02 0.00 -0.87 0.00 0.00 176.83 176.05 2b2e h ALA 121 N 1.91 -0.07 -0.59 5.18 0.00 0.03 -3.10 119.26 122.62 2b2e h ALA 121 Ca -0.00 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.68 2b2e h ALA 121 Cb 0.51 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2b2e h ALA 121 CO 0.01 -0.17 0.22 0.82 0.00 0.00 0.00 179.25 180.13 2b2e h ILE 122 N -0.79 0.79 0.00 0.00 2.04 -1.22 -0.30 117.51 118.03 2b2e h ILE 122 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2b2e h ILE 122 Cb 0.65 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2b2e h ILE 122 CO 0.01 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2b2e n ALA 123 N -2.46 1.44 -1.49 1.87 0.00 -0.30 -2.27 120.51 117.31 2b2e n ALA 123 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2b2e n ALA 123 Cb 0.26 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.69 2b2e n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b2e n ALA 124 N -1.26 2.08 -2.54 0.00 0.00 -0.22 -4.96 120.51 113.61 2b2e n ALA 124 Ca 0.02 -1.71 -0.18 0.00 0.00 0.00 0.00 53.44 51.58 2b2e n ALA 124 Cb 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 2b2e n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b2e n ASN 125 N -0.66 -5.03 -4.72 0.00 3.02 -0.96 -4.95 115.26 101.96 2b2e n ASN 125 Ca 0.07 0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.39 2b2e n ASN 125 Cb 0.65 -4.19 -0.07 0.00 -0.61 0.00 0.00 39.78 35.55 2b2e n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2b2e s SER 126 N -2.15 4.42 0.00 6.41 0.01 -0.64 -5.05 113.70 116.70 2b2e s SER 126 Ca 0.05 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2b2e s SER 126 Cb -0.03 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2b2e s SER 126 CO 0.07 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2b2e n GLY 127 N -1.19 3.83 3.73 3.44 0.00 -1.26 -4.26 105.19 109.48 2b2e n GLY 127 Ca -0.02 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 2b2e n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b2e s ILE 128 N 2.93 4.49 0.00 -0.61 -1.09 -1.26 -4.86 121.20 120.81 2b2e s ILE 128 Ca 0.00 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 2b2e s ILE 128 Cb 0.00 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 2b2e s ILE 128 CO 0.00 0.49 0.00 0.00 -1.23 0.00 0.00 174.94 174.20