#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2e s SER 2 N 0.00 -0.22 -0.05 0.00 0.01 -1.26 -5.02 113.70 107.16 2b2e s SER 2 Ca 0.00 0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.46 2b2e s SER 2 Cb 0.00 0.33 0.22 0.00 0.21 0.00 0.00 66.02 66.78 2b2e s SER 2 CO 0.00 -0.48 1.16 -0.46 0.41 0.00 0.00 173.24 173.88 2b2e n ASN 3 N 1.18 2.61 -3.61 2.44 6.94 -1.26 -4.68 115.26 118.88 2b2e n ASN 3 Ca -0.21 -2.37 -0.40 0.00 -0.02 0.00 0.00 54.58 51.58 2b2e n ASN 3 Cb 0.56 -0.23 0.01 0.00 -2.36 0.00 0.00 39.78 37.76 2b2e n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2b2e n PHE 4 N -0.41 2.83 -4.78 -2.53 7.35 -1.26 -4.97 117.46 113.70 2b2e n PHE 4 Ca 0.10 -2.70 -0.34 0.00 -0.76 0.00 0.00 57.45 53.75 2b2e n PHE 4 Cb 0.47 -1.14 -0.07 0.00 0.35 0.00 0.00 39.48 39.10 2b2e n PHE 4 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2b2e n THR 5 N 0.07 0.00 -2.77 -2.13 -2.24 -1.26 -4.78 114.28 101.17 2b2e n THR 5 Ca 0.43 -2.49 -0.33 0.00 -2.27 0.00 0.00 64.05 59.39 2b2e n THR 5 Cb 0.28 0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 2b2e n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b2e s GLN 6 N -3.91 4.19 0.20 -0.78 -2.07 -1.26 -4.59 119.66 111.44 2b2e s GLN 6 Ca 0.00 1.12 -0.12 0.00 -1.82 0.00 0.00 55.36 54.54 2b2e s GLN 6 Cb -0.00 -2.17 -0.00 0.00 -1.09 0.00 0.00 33.01 29.75 2b2e s GLN 6 CO 0.00 -0.07 0.40 -0.59 -1.32 0.00 0.00 175.29 173.71 2b2e s PHE 7 N -2.21 0.31 -0.35 9.60 -0.71 -0.97 -5.02 117.98 118.63 2b2e s PHE 7 Ca 0.62 -0.66 -0.22 0.00 -1.04 0.00 0.00 56.93 55.62 2b2e s PHE 7 Cb -0.09 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 2b2e s PHE 7 CO 0.15 -0.86 0.74 0.08 -1.34 0.00 0.00 175.22 173.99 2b2e s VAL 8 N -3.97 4.79 0.04 -2.49 1.01 -1.26 -2.29 120.40 116.23 2b2e s VAL 8 Ca 0.18 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 2b2e s VAL 8 Cb 0.01 -4.16 -0.33 0.00 0.00 0.00 0.00 36.38 31.90 2b2e s VAL 8 CO 0.03 -0.37 1.04 0.25 0.00 0.00 0.00 175.10 176.06 2b2e h LEU 9 N 9.59 0.70 -7.86 3.92 5.85 -1.52 -3.44 115.31 122.55 2b2e h LEU 9 Ca -0.25 -0.75 -0.55 0.00 0.84 0.00 0.00 57.88 57.17 2b2e h LEU 9 Cb 1.10 -0.23 -0.35 0.00 0.37 0.00 0.00 40.66 41.55 2b2e h LEU 9 CO 0.89 1.59 -0.82 -0.69 -0.34 0.00 0.00 178.44 179.07 2b2e s VAL 10 N -2.62 1.24 -0.46 1.05 1.01 -1.08 -5.00 120.40 114.54 2b2e s VAL 10 Ca -0.07 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 2b2e s VAL 10 Cb 0.05 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.32 2b2e s VAL 10 CO 0.92 0.39 0.36 -0.62 0.00 0.00 0.00 175.10 176.16 2b2e s ASP 11 N 1.27 6.08 -0.40 3.32 -1.08 -1.26 -1.53 116.67 123.07 2b2e s ASP 11 Ca -0.02 -1.29 0.05 0.00 -0.52 0.00 0.00 52.55 50.77 2b2e s ASP 11 Cb -0.14 -2.15 0.50 0.00 -1.46 0.00 0.00 42.92 39.67 2b2e s ASP 11 CO -0.04 -0.61 1.59 0.59 0.52 0.00 0.00 175.17 177.22 2b2e n ASN 12 N 5.16 4.40 0.00 -0.34 3.02 -1.26 -4.99 115.26 121.25 2b2e n ASN 12 Ca -0.12 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.67 2b2e n ASN 12 Cb 0.44 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.99 1.88 0.00 7.41 0.00 -1.26 -3.40 105.19 108.84 2b2e n GLY 13 Ca 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.77 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.70 2b2e n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b2e n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2b2e n THR 15 N 0.00 0.00 1.12 2.61 5.66 -1.22 -4.68 114.28 117.78 2b2e n THR 15 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2b2e n THR 15 Cb 0.30 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 2b2e n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b2e n GLY 16 N 3.02 -0.20 3.43 1.09 0.00 -1.26 -4.91 105.19 106.36 2b2e n GLY 16 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.31 0.61 -4.53 1.61 9.92 -1.26 -4.78 116.55 117.81 2b2e n ASP 17 Ca 0.00 1.11 -0.40 0.00 -0.53 0.00 0.00 54.79 54.97 2b2e n ASP 17 Cb 0.05 -0.85 -0.10 0.00 -0.64 0.00 0.00 41.12 39.57 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 1.52 5.28 -0.13 2.53 1.01 -0.58 -4.99 120.40 125.04 2b2e s VAL 18 Ca 0.93 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 2b2e s VAL 18 Cb -1.32 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 2b2e s VAL 18 CO 0.67 -0.01 -0.03 -0.89 0.00 0.00 0.00 175.10 174.84 2b2e s THR 19 N 1.74 4.03 -0.03 3.92 2.01 -1.26 -1.21 115.64 124.83 2b2e s THR 19 Ca 0.06 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 61.79 2b2e s THR 19 Cb -0.17 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2b2e s THR 19 CO 0.11 0.54 -0.20 0.54 -0.69 0.00 0.00 174.62 174.92 2b2e s VAL 20 N -0.14 2.60 0.28 3.82 0.11 -0.97 -4.02 120.40 122.08 2b2e s VAL 20 Ca 0.03 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.23 2b2e s VAL 20 Cb -0.13 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.69 2b2e s VAL 20 CO 0.02 0.58 -0.02 0.00 -3.33 0.00 0.00 175.10 172.35 2b2e s ALA 21 N -0.68 2.26 0.28 1.54 0.00 -0.34 -2.30 121.76 122.52 2b2e s ALA 21 Ca 0.11 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 2b2e s ALA 21 Cb -0.10 0.36 -0.13 0.00 0.00 0.00 0.00 23.12 23.25 2b2e s ALA 21 CO -0.00 -0.16 1.41 -2.30 0.00 0.00 0.00 175.76 174.70 2b2e n PRO 22 N -0.58 2.17 -0.02 0.00 -0.02 -1.26 -0.23 135.00 135.05 2b2e n PRO 22 Ca -0.05 0.77 -0.04 0.00 -2.02 0.00 0.00 63.50 62.17 2b2e n PRO 22 Cb 0.64 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2b2e n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2b2e n SER 23 N 1.76 1.24 -3.65 2.55 2.88 0.73 -4.75 113.62 114.37 2b2e n SER 23 Ca 0.09 0.19 -0.06 0.00 -1.33 0.00 0.00 58.87 57.76 2b2e n SER 23 Cb 0.34 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.29 2b2e n SER 23 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2b2e s ASN 24 N -5.67 -0.27 -0.38 -3.46 4.22 -1.22 -5.03 114.94 103.13 2b2e s ASN 24 Ca -0.12 -0.26 0.13 0.00 -2.14 0.00 0.00 52.86 50.47 2b2e s ASN 24 Cb 0.02 0.48 0.38 0.00 1.28 0.00 0.00 41.25 43.41 2b2e s ASN 24 CO 0.18 -0.84 0.82 0.33 -2.04 0.00 0.00 177.10 175.55 2b2e n PHE 25 N -0.39 0.87 -3.67 1.54 7.35 -1.26 -1.88 117.46 120.02 2b2e n PHE 25 Ca -0.08 -3.52 -0.34 0.00 -0.76 0.00 0.00 57.45 52.75 2b2e n PHE 25 Cb 0.61 -0.40 -0.05 0.00 0.35 0.00 0.00 39.48 39.99 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 -2.74 3.79 -1.33 3.13 0.00 -1.24 -4.35 121.76 119.01 2b2e s ALA 26 Ca 0.37 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 2b2e s ALA 26 Cb 0.38 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2b2e s ALA 26 CO -0.06 0.62 0.44 0.09 0.00 0.00 0.00 175.76 176.85 2b2e n ASN 27 N 0.91 -5.36 -2.19 0.00 5.03 -1.26 -2.50 115.26 109.88 2b2e n ASN 27 Ca -0.09 -0.21 -0.19 0.00 0.87 0.00 0.00 54.58 54.96 2b2e n ASN 27 Cb 0.52 -4.24 -0.01 0.00 -1.02 0.00 0.00 39.78 35.04 2b2e n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2b2e n GLY 28 N -1.35 -0.38 2.88 7.41 0.00 -1.26 -4.97 105.19 107.52 2b2e n GLY 28 Ca -0.11 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.96 1.35 0.23 1.61 1.01 -1.04 -4.42 120.40 116.18 2b2e s VAL 29 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 2b2e s VAL 29 Cb 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 2b2e s VAL 29 CO 0.00 -0.28 1.01 0.00 0.00 0.00 0.00 175.10 175.82 2b2e s ALA 30 N 1.44 3.35 -0.03 5.51 0.00 -0.08 -3.69 121.76 128.26 2b2e s ALA 30 Ca -0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.69 2b2e s ALA 30 Cb -0.18 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2b2e s ALA 30 CO -0.10 0.03 -0.07 -2.00 0.00 0.00 0.00 175.76 173.62 2b2e s GLU 31 N -1.05 0.95 0.03 0.00 2.12 -0.79 -0.94 118.70 119.02 2b2e s GLU 31 Ca 0.44 -0.23 0.09 0.00 0.36 0.00 0.00 54.97 55.62 2b2e s GLU 31 Cb -0.28 -0.89 -0.03 0.00 0.26 0.00 0.00 34.13 33.19 2b2e s GLU 31 CO 0.35 0.03 -0.26 -1.58 -0.54 0.00 0.00 175.26 173.26 2b2e s TRP 32 N 0.48 2.27 0.01 5.30 0.51 0.96 -0.19 118.94 128.27 2b2e s TRP 32 Ca -0.07 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.50 2b2e s TRP 32 Cb -0.11 -1.38 -0.01 0.00 -0.81 0.00 0.00 33.47 31.16 2b2e s TRP 32 CO 0.01 0.08 -0.04 0.42 -0.51 0.00 0.00 176.95 176.92 2b2e s ILE 33 N -0.75 0.24 0.83 2.03 -1.09 0.68 -1.37 121.20 121.75 2b2e s ILE 33 Ca 0.11 -0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 57.99 2b2e s ILE 33 Cb -0.10 -0.26 0.09 0.00 -1.58 0.00 0.00 42.46 40.61 2b2e s ILE 33 CO 0.01 -0.12 1.15 -0.94 -1.23 0.00 0.00 174.94 173.82 2b2e s SER 34 N -0.57 4.33 0.91 3.58 1.04 -0.76 -1.20 113.70 121.02 2b2e s SER 34 Ca -0.04 0.91 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 2b2e s SER 34 Cb -0.04 -1.49 0.14 0.00 0.10 0.00 0.00 66.02 64.74 2b2e s SER 34 CO -0.00 -2.03 1.17 -0.55 0.98 0.00 0.00 173.24 172.81 2b2e s SER 35 N -4.34 3.53 0.14 7.02 0.15 -1.26 -4.73 113.70 114.21 2b2e s SER 35 Ca 0.62 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2b2e s SER 35 Cb -0.12 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2b2e s SER 35 CO 0.51 -2.52 0.00 0.59 1.20 0.00 0.00 173.24 173.02 2b2e n ASN 36 N -3.72 -2.08 -3.32 5.45 3.02 -1.26 -4.84 115.26 108.51 2b2e n ASN 36 Ca 0.09 0.29 -0.47 0.00 -0.03 0.00 0.00 54.58 54.46 2b2e n ASN 36 Cb 0.60 -0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 2b2e n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2b2e n SER 37 N -1.33 0.71 -0.30 6.41 7.64 -1.26 -4.78 113.62 120.71 2b2e n SER 37 Ca 0.00 0.68 0.09 0.00 1.01 0.00 0.00 58.87 60.66 2b2e n SER 37 Cb 0.12 -0.66 0.26 0.00 -1.01 0.00 0.00 64.21 62.92 2b2e n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2b2e h ARG 38 N 5.28 0.56 -1.33 1.43 9.65 -1.91 0.21 114.38 128.26 2b2e h ARG 38 Ca -0.19 -0.03 0.39 0.00 -1.10 0.00 0.00 59.98 59.04 2b2e h ARG 38 Cb 1.03 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.43 2b2e h ARG 38 CO 0.77 0.37 1.04 0.66 2.80 0.00 0.00 179.97 185.61 2b2e h SER 39 N 0.58 0.00 -1.33 -3.80 4.64 -1.86 -1.81 113.55 109.97 2b2e h SER 39 Ca 0.50 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.40 2b2e h SER 39 Cb 0.80 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.48 2b2e h SER 39 CO -0.41 0.00 -1.12 0.00 -0.87 0.00 0.00 176.83 174.43 2b2e n GLN 40 N -3.92 1.45 -4.36 4.77 10.64 0.05 -3.80 117.38 122.21 2b2e n GLN 40 Ca 0.29 -3.49 -0.24 0.00 -1.83 0.00 0.00 57.00 51.73 2b2e n GLN 40 Cb 1.46 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 29.26 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 -3.04 3.06 0.39 2.61 0.00 -0.68 -4.89 121.76 119.20 2b2e s ALA 41 Ca 0.33 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 2b2e s ALA 41 Cb 0.42 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 2b2e s ALA 41 CO -0.02 0.20 0.83 0.71 0.00 0.00 0.00 175.76 177.48 2b2e s TYR 42 N -2.45 3.37 -0.00 0.00 1.51 -1.26 -4.62 117.35 113.90 2b2e s TYR 42 Ca 0.32 1.34 0.02 0.00 -1.01 0.00 0.00 57.07 57.74 2b2e s TYR 42 Cb -0.04 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 2b2e s TYR 42 CO 0.18 -0.04 -0.06 0.21 -1.11 0.00 0.00 175.55 174.72 2b2e s LYS 43 N -3.27 0.51 -0.07 -0.62 2.20 -1.09 -1.84 119.74 115.56 2b2e s LYS 43 Ca 0.57 -0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2b2e s LYS 43 Cb -0.10 -0.48 0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2b2e s LYS 43 CO 0.19 0.13 0.13 0.08 -0.36 0.00 0.00 175.35 175.52 2b2e s VAL 44 N -0.25 -0.22 0.10 4.02 1.01 -0.47 -0.55 120.40 124.04 2b2e s VAL 44 Ca 0.01 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2b2e s VAL 44 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2b2e s VAL 44 CO -0.00 0.16 -0.23 0.42 0.00 0.00 0.00 175.10 175.44 2b2e s THR 45 N 2.24 1.92 -0.01 3.92 -4.23 0.13 -0.03 115.64 119.58 2b2e s THR 45 Ca 0.03 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 2b2e s THR 45 Cb -0.12 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.02 2b2e s THR 45 CO -0.05 0.05 0.15 0.00 -0.54 0.00 0.00 174.62 174.24 2b2e s SER 47 N -1.10 -0.62 -0.01 0.00 1.04 -1.08 -0.90 113.70 111.03 2b2e s SER 47 Ca -0.12 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2b2e s SER 47 Cb -0.06 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.64 2b2e s SER 47 CO 0.01 -0.77 0.01 -0.69 0.98 0.00 0.00 173.24 172.78 2b2e s VAL 48 N -2.35 0.05 0.10 5.02 1.01 -1.26 -1.35 120.40 121.62 2b2e s VAL 48 Ca -0.06 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 2b2e s VAL 48 Cb -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.26 2b2e s VAL 48 CO -0.00 0.07 0.21 0.00 0.00 0.00 0.00 175.10 175.38 2b2e s ARG 49 N 0.57 0.91 -0.71 2.72 1.70 -1.16 -4.98 118.95 118.00 2b2e s ARG 49 Ca -0.05 -0.98 -0.24 0.00 -0.47 0.00 0.00 55.73 53.99 2b2e s ARG 49 Cb -0.07 0.35 0.06 0.00 -0.57 0.00 0.00 34.95 34.72 2b2e s ARG 49 CO -0.01 -0.30 1.10 -1.14 -1.08 0.00 0.00 175.30 173.86 2b2e s GLN 50 N -3.88 3.17 -0.01 3.89 2.00 -1.26 -0.43 119.66 123.14 2b2e s GLN 50 Ca 0.07 -0.68 -0.21 0.00 -2.00 0.00 0.00 55.36 52.54 2b2e s GLN 50 Cb 0.04 -4.28 -0.13 0.00 0.80 0.00 0.00 33.01 29.45 2b2e s GLN 50 CO -0.09 -1.94 0.92 0.66 -0.50 0.00 0.00 175.29 174.34 2b2e h SER 51 N 9.71 -0.53 -2.63 6.67 4.64 -1.77 -3.47 113.55 126.17 2b2e h SER 51 Ca -0.25 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2b2e h SER 51 Cb 1.06 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2b2e h SER 51 CO 1.22 -0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 175.53 2b2e n SER 52 N -5.20 1.32 0.15 4.97 3.41 -1.21 -4.99 113.62 112.07 2b2e n SER 52 Ca -0.09 -0.65 0.12 0.00 -0.26 0.00 0.00 58.87 57.99 2b2e n SER 52 Cb 0.28 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.65 0.85 0.00 7.33 0.00 -2.04 -3.32 119.26 122.74 2b2e h ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 -0.65 1.04 0.00 0.00 0.00 179.25 179.64 2b2e n GLN 54 N -2.71 2.76 -4.32 0.00 6.02 -1.26 -4.94 117.38 112.92 2b2e n GLN 54 Ca 0.03 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 2b2e n GLN 54 Cb 0.50 -1.10 -0.12 0.00 1.02 0.00 0.00 30.24 30.55 2b2e n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2b2e s ASN 55 N -2.25 2.64 0.05 1.08 0.01 -1.25 0.11 114.94 115.33 2b2e s ASN 55 Ca 0.04 -0.81 0.09 0.00 -0.71 0.00 0.00 52.86 51.47 2b2e s ASN 55 Cb 0.09 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 2b2e s ASN 55 CO 0.51 -0.01 -0.26 -0.13 -1.51 0.00 0.00 177.10 175.70 2b2e s ARG 56 N -2.54 1.76 -0.12 -0.60 0.52 -0.85 -2.18 118.95 114.95 2b2e s ARG 56 Ca 0.13 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 2b2e s ARG 56 Cb -0.07 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.49 2b2e s ARG 56 CO 0.06 0.50 -0.04 0.21 0.02 0.00 0.00 175.30 176.05 2b2e s LYS 57 N -1.26 1.22 0.29 3.54 2.20 0.43 -1.13 119.74 125.03 2b2e s LYS 57 Ca 0.12 -0.23 -0.19 0.00 -0.36 0.00 0.00 55.97 55.30 2b2e s LYS 57 Cb -0.10 -1.56 -0.09 0.00 -1.51 0.00 0.00 37.83 34.57 2b2e s LYS 57 CO 0.02 -0.34 0.78 0.71 -0.36 0.00 0.00 175.35 176.16 2b2e s TYR 58 N 1.77 3.53 -0.30 4.03 1.51 0.17 -2.96 117.35 125.10 2b2e s TYR 58 Ca 0.04 1.41 -0.03 0.00 -1.01 0.00 0.00 57.07 57.48 2b2e s TYR 58 Cb -0.13 -2.65 0.10 0.00 -0.11 0.00 0.00 41.96 39.17 2b2e s TYR 58 CO -0.07 0.20 0.13 0.99 -1.11 0.00 0.00 175.55 175.69 2b2e s THR 59 N -1.75 0.23 0.04 -0.71 2.01 -0.45 -0.50 115.64 114.51 2b2e s THR 59 Ca 0.49 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 2b2e s THR 59 Cb -0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2b2e s THR 59 CO 0.19 -0.74 0.20 -0.63 -0.69 0.00 0.00 174.62 172.95 2b2e s ILE 60 N 1.86 5.38 -0.09 1.82 -1.09 0.42 -2.64 121.20 126.86 2b2e s ILE 60 Ca 0.10 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 2b2e s ILE 60 Cb -0.17 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2b2e s ILE 60 CO -0.30 0.20 0.21 -0.54 -1.23 0.00 0.00 174.94 173.28 2b2e s LYS 61 N -2.33 0.18 0.01 2.79 1.02 -0.10 -1.22 119.74 120.09 2b2e s LYS 61 Ca 0.32 0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.82 2b2e s LYS 61 Cb -0.13 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 2b2e s LYS 61 CO 0.25 -0.15 -0.16 0.08 -0.92 0.00 0.00 175.35 174.45 2b2e s VAL 62 N 1.08 1.29 -0.14 3.17 1.01 -0.61 -0.69 120.40 125.51 2b2e s VAL 62 Ca -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2b2e s VAL 62 Cb -0.09 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2b2e s VAL 62 CO -0.07 0.25 -0.15 -1.61 0.00 0.00 0.00 175.10 173.53 2b2e s GLU 63 N -0.67 2.32 -0.24 2.72 2.02 0.29 -0.91 118.70 124.23 2b2e s GLU 63 Ca 0.05 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 2b2e s GLU 63 Cb -0.07 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.11 2b2e s GLU 63 CO 0.00 -0.17 -0.04 0.08 0.02 0.00 0.00 175.26 175.16 2b2e s VAL 64 N 1.28 3.21 0.33 2.63 1.01 -0.56 -2.68 120.40 125.62 2b2e s VAL 64 Ca 0.01 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2b2e s VAL 64 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2b2e s VAL 64 CO -0.07 0.27 0.51 -2.16 0.00 0.00 0.00 175.10 173.65 2b2e s PRO 65 N 1.41 3.40 -0.43 2.72 0.04 -1.26 0.07 135.00 140.94 2b2e s PRO 65 Ca 0.03 -0.52 -0.06 0.00 0.04 0.00 0.00 61.00 60.49 2b2e s PRO 65 Cb -0.16 -2.72 0.11 0.00 0.04 0.00 0.00 34.50 31.77 2b2e s PRO 65 CO -0.03 0.17 0.25 0.21 0.04 0.00 0.00 177.00 177.64 2b2e s LYS 66 N -4.24 2.24 0.12 4.56 2.47 -0.40 -4.96 119.74 119.53 2b2e s LYS 66 Ca 0.40 -1.75 -0.31 0.00 -1.56 0.00 0.00 55.97 52.74 2b2e s LYS 66 Cb -0.09 -3.71 -0.09 0.00 -1.46 0.00 0.00 37.83 32.47 2b2e s LYS 66 CO 0.34 -1.09 1.64 0.14 0.16 0.00 0.00 175.35 176.54 2b2e s VAL 67 N 1.25 2.75 0.23 4.02 -7.23 -1.26 -0.95 120.40 119.20 2b2e s VAL 67 Ca 0.06 0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.52 2b2e s VAL 67 Cb -0.24 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 2b2e s VAL 67 CO -0.02 0.01 0.41 0.00 -0.31 0.00 0.00 175.10 175.20 2b2e s ALA 68 N 1.92 -0.06 -0.31 1.32 0.00 -1.01 -4.83 121.76 118.80 2b2e s ALA 68 Ca 0.73 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2b2e s ALA 68 Cb -0.43 1.08 0.07 0.00 0.00 0.00 0.00 23.12 23.84 2b2e s ALA 68 CO 0.32 -0.80 -0.00 0.99 0.00 0.00 0.00 175.76 176.27 2b2e s THR 69 N -4.03 2.71 -0.18 0.00 2.01 -1.26 -1.99 115.64 112.91 2b2e s THR 69 Ca 0.23 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.29 2b2e s THR 69 Cb 0.01 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 2b2e s THR 69 CO 0.08 -0.21 1.12 -1.58 -0.69 0.00 0.00 174.62 173.34 2b2e s GLN 70 N 1.16 4.28 -0.28 4.92 0.74 -0.63 -4.88 119.66 124.97 2b2e s GLN 70 Ca -0.03 1.49 -0.00 0.00 0.05 0.00 0.00 55.36 56.87 2b2e s GLN 70 Cb -0.20 -3.66 0.05 0.00 1.10 0.00 0.00 33.01 30.30 2b2e s GLN 70 CO -0.03 -0.59 -0.04 0.99 -0.55 0.00 0.00 175.29 175.06 2b2e s THR 71 N 3.03 2.74 -0.09 -0.34 2.01 -1.26 -1.10 115.64 120.62 2b2e s THR 71 Ca 0.49 -1.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 2b2e s THR 71 Cb -0.18 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.80 2b2e s THR 71 CO 0.12 -0.03 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 2b2e s VAL 72 N 1.22 0.87 -1.32 3.82 1.01 -0.73 -4.74 120.40 120.53 2b2e s VAL 72 Ca -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2b2e s VAL 72 Cb -0.19 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2b2e s VAL 72 CO -0.03 0.33 0.43 0.61 0.00 0.00 0.00 175.10 176.44 2b2e n GLY 73 N 4.76 -0.32 2.37 4.51 0.00 -1.26 -1.90 105.19 113.36 2b2e n GLY 73 Ca -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2b2e n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2e n GLY 74 N -1.34 0.68 3.21 -0.02 0.00 -1.26 -4.99 105.19 101.48 2b2e n GLY 74 Ca -0.11 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2b2e n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2e s VAL 75 N -1.94 2.96 -0.15 1.61 1.01 -0.80 -5.10 120.40 117.99 2b2e s VAL 75 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2b2e s VAL 75 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2b2e s VAL 75 CO 0.00 0.20 0.09 -1.83 0.00 0.00 0.00 175.10 173.56 2b2e s GLU 76 N 1.34 3.69 0.06 2.72 -1.05 -1.26 -1.77 118.70 122.43 2b2e s GLU 76 Ca 0.01 -0.26 0.07 0.00 -0.15 0.00 0.00 54.97 54.63 2b2e s GLU 76 Cb -0.17 -3.18 -0.03 0.00 -0.44 0.00 0.00 34.13 30.32 2b2e s GLU 76 CO -0.04 0.51 -0.18 -0.51 0.95 0.00 0.00 175.26 175.99 2b2e s LEU 77 N -0.28 2.23 -0.16 1.83 1.43 -0.25 -4.99 118.68 118.48 2b2e s LEU 77 Ca 0.09 -0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 2b2e s LEU 77 Cb -0.12 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2b2e s LEU 77 CO 0.01 0.06 0.89 -2.84 0.23 0.00 0.00 176.35 174.70 2b2e s PRO 78 N -1.49 4.32 0.03 1.29 0.02 -1.26 -1.60 135.00 136.31 2b2e s PRO 78 Ca 0.04 1.14 0.01 0.00 0.02 0.00 0.00 61.00 62.20 2b2e s PRO 78 Cb -0.09 -3.58 -0.00 0.00 0.02 0.00 0.00 34.50 30.85 2b2e s PRO 78 CO 0.02 -0.36 0.02 1.33 -0.33 0.00 0.00 177.00 177.69 2b2e n VAL 79 N 4.77 0.00 -4.04 3.83 0.24 -0.84 -4.64 118.33 117.64 2b2e n VAL 79 Ca 0.06 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.34 61.79 2b2e n VAL 79 Cb 0.48 0.11 -0.15 0.00 -1.47 0.00 0.00 33.84 32.81 2b2e n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b2e s ALA 80 N -2.13 2.52 0.20 2.33 0.00 -1.25 -2.39 121.76 121.04 2b2e s ALA 80 Ca 0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 2b2e s ALA 80 Cb 0.00 -1.43 0.24 0.00 0.00 0.00 0.00 23.12 21.93 2b2e s ALA 80 CO 0.02 -0.57 1.72 0.00 0.00 0.00 0.00 175.76 176.93 2b2e h ALA 81 N 7.96 0.64 -2.82 0.00 0.00 -1.35 -3.46 119.26 120.24 2b2e h ALA 81 Ca -0.39 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2b2e h ALA 81 Cb 1.12 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2b2e h ALA 81 CO 0.60 -0.29 0.34 1.67 0.00 0.00 0.00 179.25 181.57 2b2e s TRP 82 N -6.12 -0.03 0.03 0.00 1.48 -1.26 -5.03 118.94 108.01 2b2e s TRP 82 Ca -0.13 -0.48 0.02 0.00 -1.06 0.00 0.00 56.10 54.45 2b2e s TRP 82 Cb 0.16 0.75 -0.02 0.00 -1.16 0.00 0.00 33.47 33.20 2b2e s TRP 82 CO 0.73 -1.25 -0.07 1.03 -4.06 0.00 0.00 176.95 173.34 2b2e s ARG 83 N -2.97 0.47 -0.18 3.25 0.52 -1.26 -1.28 118.95 117.50 2b2e s ARG 83 Ca 0.14 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.60 2b2e s ARG 83 Cb -0.04 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 2b2e s ARG 83 CO 0.08 0.03 0.07 0.45 0.02 0.00 0.00 175.30 175.95 2b2e s SER 84 N -1.44 5.66 -0.22 0.23 0.15 0.11 -4.95 113.70 113.24 2b2e s SER 84 Ca -0.10 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 2b2e s SER 84 Cb -0.09 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 2b2e s SER 84 CO 0.00 0.17 -0.04 -0.31 1.20 0.00 0.00 173.24 174.26 2b2e s TYR 85 N 0.38 2.96 -0.12 3.44 1.51 -1.26 -1.49 117.35 122.77 2b2e s TYR 85 Ca 0.03 -0.94 -0.05 0.00 -1.01 0.00 0.00 57.07 55.10 2b2e s TYR 85 Cb -0.12 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2b2e s TYR 85 CO 0.00 -0.55 0.08 -1.17 -1.11 0.00 0.00 175.55 172.80 2b2e s LEU 86 N 1.48 3.99 -0.27 -1.29 2.96 -0.08 -5.00 118.68 120.47 2b2e s LEU 86 Ca 0.06 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2b2e s LEU 86 Cb -0.14 -1.96 0.13 0.00 0.50 0.00 0.00 46.19 44.72 2b2e s LEU 86 CO -0.03 0.36 0.28 -0.55 -1.32 0.00 0.00 176.35 175.09 2b2e s SER 87 N -0.75 1.56 -0.03 3.68 0.15 -1.26 -1.57 113.70 115.47 2b2e s SER 87 Ca 0.13 -0.59 0.07 0.00 0.70 0.00 0.00 55.95 56.26 2b2e s SER 87 Cb -0.12 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2b2e s SER 87 CO 0.03 -0.37 -0.24 0.00 1.20 0.00 0.00 173.24 173.85 2b2e s MET 88 N 2.36 2.23 -0.14 5.44 0.23 -0.36 -5.00 119.30 124.06 2b2e s MET 88 Ca 0.09 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.88 2b2e s MET 88 Cb -0.14 -2.11 0.01 0.00 -1.53 0.00 0.00 34.83 31.05 2b2e s MET 88 CO -0.28 0.55 -0.20 0.15 -2.03 0.00 0.00 175.02 173.21 2b2e s LYS 89 N -0.57 3.09 -0.16 3.16 1.02 -1.26 -0.43 119.74 124.58 2b2e s LYS 89 Ca 0.09 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2b2e s LYS 89 Cb -0.11 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2b2e s LYS 89 CO -0.00 0.01 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.07 2b2e s LEU 90 N 0.77 2.19 -0.21 3.17 2.96 0.34 -4.96 118.68 122.95 2b2e s LEU 90 Ca -0.07 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.18 2b2e s LEU 90 Cb -0.16 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2b2e s LEU 90 CO -0.00 0.05 0.03 -0.89 -1.32 0.00 0.00 176.35 174.22 2b2e s THR 91 N 1.00 4.20 -0.12 3.68 2.01 -1.26 0.44 115.64 125.60 2b2e s THR 91 Ca -0.02 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2b2e s THR 91 Cb -0.15 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.48 2b2e s THR 91 CO -0.06 0.41 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.60 2b2e s ILE 92 N 1.06 0.89 0.68 1.82 1.01 -0.28 -4.98 121.20 121.40 2b2e s ILE 92 Ca 0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 2b2e s ILE 92 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2b2e s ILE 92 CO 0.02 0.29 0.87 -2.65 0.00 0.00 0.00 174.94 173.47 2b2e n PRO 93 N 4.98 0.59 0.02 2.79 -0.02 -1.26 -2.01 135.00 140.09 2b2e n PRO 93 Ca -0.11 0.25 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 2b2e n PRO 93 Cb 0.50 -2.11 0.41 0.00 -0.02 0.00 0.00 33.50 32.27 2b2e n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2b2e n ILE 94 N -2.21 0.72 1.86 4.25 -5.35 0.12 -2.63 119.36 116.12 2b2e n ILE 94 Ca 0.13 0.16 0.14 0.00 -0.27 0.00 0.00 62.75 62.91 2b2e n ILE 94 Cb 0.49 -0.88 0.76 0.00 -1.74 0.00 0.00 39.64 38.27 2b2e n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2b2e n PHE 95 N -1.63 0.01 -2.67 4.28 3.72 -1.26 -4.83 117.46 115.08 2b2e n PHE 95 Ca 0.04 -0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 2b2e n PHE 95 Cb 0.23 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.99 3.27 0.58 4.37 0.00 -1.08 -5.04 121.76 121.88 2b2e s ALA 96 Ca 0.41 0.63 0.04 0.00 0.00 0.00 0.00 51.96 53.05 2b2e s ALA 96 Cb 0.20 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 20.08 2b2e s ALA 96 CO 0.33 -0.09 0.80 0.95 0.00 0.00 0.00 175.76 177.75 2b2e s THR 97 N 0.03 2.45 0.19 0.00 -4.23 -1.26 -4.91 115.64 107.90 2b2e s THR 97 Ca 0.48 -0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 2b2e s THR 97 Cb -0.25 -2.65 0.11 0.00 1.34 0.00 0.00 72.50 71.05 2b2e s THR 97 CO 0.31 0.00 1.76 0.78 -0.54 0.00 0.00 174.62 176.93 2b2e h ASN 98 N 0.04 0.26 -0.62 3.99 4.21 -2.00 -0.92 115.58 120.55 2b2e h ASN 98 Ca -0.37 0.06 0.11 0.00 1.21 0.00 0.00 56.30 57.31 2b2e h ASN 98 Cb 1.28 0.02 -0.08 0.00 -1.12 0.00 0.00 38.32 38.42 2b2e h ASN 98 CO 0.44 0.17 0.18 0.28 -1.29 0.00 0.00 177.43 177.22 2b2e h SER 99 N 0.42 0.11 -0.64 5.81 0.02 -2.00 -1.13 113.55 116.15 2b2e h SER 99 Ca 0.26 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 2b2e h SER 99 Cb 0.26 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2b2e h SER 99 CO -0.24 0.06 0.42 0.44 -1.14 0.00 0.00 176.83 176.38 2b2e h ASP 100 N 0.33 0.74 -0.50 3.07 3.32 -1.57 -2.88 116.42 118.93 2b2e h ASP 100 Ca 0.32 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 2b2e h ASP 100 Cb 0.46 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2b2e h ASP 100 CO -0.37 0.54 0.12 0.00 -1.72 0.00 0.00 179.24 177.81 2b2e h GLU 102 N 0.68 0.22 0.51 0.00 5.08 -1.07 0.28 114.58 120.27 2b2e h GLU 102 Ca 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2b2e h GLU 102 Cb 0.33 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2b2e h GLU 102 CO 0.00 0.15 -0.43 1.25 -1.00 0.00 0.00 179.01 178.98 2b2e h LEU 103 N 0.23 -1.16 -0.89 1.33 5.85 -1.25 0.21 115.31 119.64 2b2e h LEU 103 Ca 0.36 0.09 0.20 0.00 0.84 0.00 0.00 57.88 59.37 2b2e h LEU 103 Cb 0.59 0.37 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 2b2e h LEU 103 CO -0.48 -0.61 0.42 0.40 -0.34 0.00 0.00 178.44 177.83 2b2e h ILE 104 N -0.93 0.54 0.30 4.05 2.04 -0.46 0.13 117.51 123.18 2b2e h ILE 104 Ca -0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2b2e h ILE 104 Cb 0.80 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2b2e h ILE 104 CO -0.02 0.09 -0.14 0.58 0.00 0.00 0.00 178.15 178.65 2b2e h VAL 105 N 0.47 0.73 -0.88 1.67 2.07 0.19 -2.37 116.25 118.13 2b2e h VAL 105 Ca 0.54 -0.41 0.22 0.00 0.82 0.00 0.00 66.70 67.87 2b2e h VAL 105 Cb 0.97 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 2b2e h VAL 105 CO -0.48 0.08 0.60 0.11 0.02 0.00 0.00 177.57 177.90 2b2e h LYS 106 N -0.63 0.25 -0.24 1.57 1.57 0.13 0.21 116.57 119.43 2b2e h LYS 106 Ca -0.04 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2b2e h LYS 106 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2b2e h LYS 106 CO 0.07 0.16 0.07 0.00 -0.57 0.00 0.00 179.45 179.18 2b2e h ALA 107 N 1.60 0.32 -0.88 3.86 0.00 -0.49 -0.44 119.26 123.23 2b2e h ALA 107 Ca 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2b2e h ALA 107 Cb 1.34 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2b2e h ALA 107 CO -0.12 -0.04 0.56 0.52 0.00 0.00 0.00 179.25 180.16 2b2e h MET 108 N 0.22 1.17 -0.37 0.00 2.86 -0.13 0.16 114.93 118.84 2b2e h MET 108 Ca 0.08 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2b2e h MET 108 Cb 0.25 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2b2e h MET 108 CO -0.00 0.80 0.15 1.96 1.06 0.00 0.00 176.91 180.87 2b2e h GLN 109 N 1.19 0.56 0.01 1.72 4.20 -0.92 -2.97 115.11 118.91 2b2e h GLN 109 Ca 0.32 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2b2e h GLN 109 Cb -0.09 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2b2e h GLN 109 CO -0.06 0.54 -0.00 0.78 -0.67 0.00 0.00 178.83 179.42 2b2e h GLY 110 N 0.46 -0.01 -0.76 3.46 0.00 -0.60 -1.11 103.07 104.50 2b2e h GLY 110 Ca 0.12 0.01 0.38 0.00 0.00 0.00 0.00 47.33 47.84 2b2e h GLY 110 CO -0.01 -0.01 0.81 -2.00 0.00 0.00 0.00 176.54 175.33 2b2e h LEU 111 N -0.04 0.29 -1.71 3.11 5.85 -0.83 -0.48 115.31 121.50 2b2e h LEU 111 Ca -0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2b2e h LEU 111 Cb 0.04 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2b2e h LEU 111 CO 0.00 -0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.21 2b2e n LEU 112 N -4.62 2.50 -4.71 2.25 4.77 -0.87 -4.27 117.00 112.06 2b2e n LEU 112 Ca 0.33 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.87 2b2e n LEU 112 Cb 1.25 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.33 2b2e n LEU 112 CO 0.24 0.44 0.92 1.17 -1.33 0.00 0.00 177.39 178.83 2b2e n LYS 113 N 1.00 2.15 -1.60 3.23 4.81 -0.19 -4.76 118.16 122.80 2b2e n LYS 113 Ca 0.11 0.75 -0.47 0.00 -0.87 0.00 0.00 58.31 57.83 2b2e n LYS 113 Cb 0.45 -2.36 -0.03 0.00 0.02 0.00 0.00 35.03 33.10 2b2e n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2b2e n ASP 114 N 0.66 1.60 0.00 3.14 10.43 -1.26 -2.28 116.55 128.85 2b2e n ASP 114 Ca 0.05 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.56 2b2e n ASP 114 Cb 0.37 -1.28 0.00 0.00 1.84 0.00 0.00 41.12 42.05 2b2e n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2b2e n GLY 115 N 1.83 3.21 3.84 0.44 0.00 -1.26 -5.05 105.19 108.20 2b2e n GLY 115 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.40 4.58 0.00 1.61 0.01 -0.96 -4.87 114.94 114.91 2b2e s ASN 116 Ca 0.00 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 53.28 2b2e s ASN 116 Cb 0.00 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.84 2b2e s ASN 116 CO 0.00 -1.89 0.56 -2.65 -1.51 0.00 0.00 177.10 171.61 2b2e n PRO 117 N -3.36 0.00 -0.35 -0.60 -0.02 -1.26 -1.97 135.00 127.44 2b2e n PRO 117 Ca 0.07 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2b2e n PRO 117 Cb 0.58 -1.06 0.08 0.00 -0.02 0.00 0.00 33.50 33.08 2b2e n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2b2e h ILE 118 N 0.00 0.04 -0.05 4.25 5.03 -1.96 0.20 117.51 125.01 2b2e h ILE 118 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 2b2e h ILE 118 Cb 0.00 0.04 -0.00 0.00 -3.03 0.00 0.00 36.82 33.83 2b2e h ILE 118 CO 0.00 0.00 0.01 1.55 -0.68 0.00 0.00 178.15 179.03 2b2e h PRO 119 N -0.01 0.09 0.00 2.37 0.13 -1.74 -1.99 132.00 130.84 2b2e h PRO 119 Ca 0.39 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 2b2e h PRO 119 Cb 0.64 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2b2e h PRO 119 CO -0.96 0.32 0.00 0.66 -0.23 0.00 0.00 178.00 177.79 2b2e h SER 120 N -0.16 0.00 0.03 1.44 4.64 -0.59 -1.21 113.55 117.70 2b2e h SER 120 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2b2e h SER 120 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2b2e h SER 120 CO 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 2b2e h ALA 121 N 2.04 -0.04 -0.86 5.18 0.00 -0.37 -3.23 119.26 121.99 2b2e h ALA 121 Ca 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.73 2b2e h ALA 121 Cb 0.24 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2b2e h ALA 121 CO 0.00 -0.06 0.47 0.82 0.00 0.00 0.00 179.25 180.48 2b2e h ILE 122 N -0.96 0.80 0.00 0.00 2.04 -1.05 0.35 117.51 118.69 2b2e h ILE 122 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2b2e h ILE 122 Cb 0.63 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2b2e h ILE 122 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2b2e n ALA 123 N -2.40 1.30 -1.74 1.87 0.00 -0.48 -2.58 120.51 116.48 2b2e n ALA 123 Ca 0.16 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.73 2b2e n ALA 123 Cb 0.38 -1.24 0.17 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.66 3.38 -3.05 0.00 0.00 0.03 -4.95 120.51 114.27 2b2e n ALA 124 Ca 0.01 -3.10 -0.18 0.00 0.00 0.00 0.00 53.44 50.16 2b2e n ALA 124 Cb 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.84 -3.43 -4.57 0.00 3.02 -1.07 -4.91 115.26 103.46 2b2e n ASN 125 Ca 0.16 -0.16 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 2b2e n ASN 125 Cb 0.77 -2.88 -0.11 0.00 -0.61 0.00 0.00 39.78 36.95 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 -2.47 3.51 0.00 6.41 0.01 -0.72 -5.05 113.70 115.39 2b2e s SER 126 Ca 0.26 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.18 2b2e s SER 126 Cb -0.14 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2b2e s SER 126 CO 0.32 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2b2e n GLY 127 N -0.87 4.38 3.93 3.44 0.00 -1.26 -4.04 105.19 110.77 2b2e n GLY 127 Ca -0.04 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 2.18 5.19 0.00 -0.61 -1.09 -1.26 -4.87 121.20 120.75 2b2e s ILE 128 Ca 0.00 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2b2e s ILE 128 Cb 0.00 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 2b2e s ILE 128 CO 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 174.94 173.48