#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 -0.18 0.00 0.00 0.15 -1.26 -5.05 113.70 107.36 2b2e s SER 2 Ca 0.00 0.32 0.16 0.00 0.70 0.00 0.00 55.95 57.13 2b2e s SER 2 Cb 0.00 0.31 -0.14 0.00 -1.71 0.00 0.00 66.02 64.49 2b2e s SER 2 CO 0.00 -0.08 0.74 -0.46 1.20 0.00 0.00 173.24 174.64 2b2e n ASN 3 N 1.56 0.98 -3.70 5.45 0.23 -1.26 -4.73 115.26 113.80 2b2e n ASN 3 Ca -0.10 -0.99 -0.42 0.00 -0.53 0.00 0.00 54.58 52.54 2b2e n ASN 3 Cb 0.57 0.88 -0.01 0.00 -2.08 0.00 0.00 39.78 39.14 2b2e n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2b2e n PHE 4 N -1.09 3.25 -4.33 -2.53 -0.00 -1.26 -4.90 117.46 106.59 2b2e n PHE 4 Ca 0.04 -2.81 -0.24 0.00 -0.00 0.00 0.00 57.45 54.44 2b2e n PHE 4 Cb 0.28 -2.43 -0.08 0.00 -0.00 0.00 0.00 39.48 37.25 2b2e n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2b2e s THR 5 N 3.43 2.70 0.65 -2.13 -4.23 -1.26 -4.85 115.64 109.95 2b2e s THR 5 Ca 0.49 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 2b2e s THR 5 Cb 0.14 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 2b2e s THR 5 CO -0.06 -0.22 1.08 0.00 -0.54 0.00 0.00 174.62 174.88 2b2e s GLN 6 N -3.71 2.97 0.08 3.99 -2.07 -1.26 -4.68 119.66 114.98 2b2e s GLN 6 Ca 0.34 1.22 -0.20 0.00 -1.82 0.00 0.00 55.36 54.90 2b2e s GLN 6 Cb -0.01 -1.98 0.05 0.00 -1.09 0.00 0.00 33.01 29.97 2b2e s GLN 6 CO 0.19 -1.09 0.48 -0.59 -1.32 0.00 0.00 175.29 172.96 2b2e s PHE 7 N -2.57 -0.35 -0.31 9.60 -0.71 -0.57 -5.01 117.98 118.05 2b2e s PHE 7 Ca 0.63 0.26 -0.27 0.00 -1.04 0.00 0.00 56.93 56.51 2b2e s PHE 7 Cb -0.17 0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.98 2b2e s PHE 7 CO 0.44 -0.67 0.98 0.54 -1.34 0.00 0.00 175.22 175.17 2b2e s VAL 8 N -2.97 4.61 -0.00 -2.49 0.11 -1.26 -1.45 120.40 116.95 2b2e s VAL 8 Ca -0.02 1.58 -0.06 0.00 -2.93 0.00 0.00 61.98 60.54 2b2e s VAL 8 Cb -0.00 -4.33 -0.29 0.00 -1.53 0.00 0.00 36.38 30.23 2b2e s VAL 8 CO -0.06 -0.39 0.85 0.25 -3.33 0.00 0.00 175.10 172.42 2b2e h LEU 9 N 9.85 0.50 -7.66 2.54 5.85 -1.09 -3.44 115.31 121.86 2b2e h LEU 9 Ca -0.22 -0.66 -0.58 0.00 0.84 0.00 0.00 57.88 57.26 2b2e h LEU 9 Cb 1.07 -0.16 -0.38 0.00 0.37 0.00 0.00 40.66 41.56 2b2e h LEU 9 CO 0.98 1.55 -0.80 -0.69 -0.34 0.00 0.00 178.44 179.15 2b2e s VAL 10 N -2.61 1.34 -0.43 1.05 1.01 -0.79 -4.99 120.40 114.98 2b2e s VAL 10 Ca -0.10 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 2b2e s VAL 10 Cb 0.06 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2b2e s VAL 10 CO 0.87 0.08 0.51 -0.62 0.00 0.00 0.00 175.10 175.93 2b2e s ASP 11 N 1.52 6.24 -0.16 3.32 2.15 -1.26 -1.31 116.67 127.17 2b2e s ASP 11 Ca -0.01 -0.59 0.17 0.00 0.43 0.00 0.00 52.55 52.55 2b2e s ASP 11 Cb -0.16 -2.26 0.45 0.00 -0.30 0.00 0.00 42.92 40.65 2b2e s ASP 11 CO -0.08 -0.66 1.34 0.59 -0.17 0.00 0.00 175.17 176.20 2b2e n ASN 12 N 5.83 3.43 -2.11 -0.34 3.02 -1.26 -5.01 115.26 118.82 2b2e n ASN 12 Ca -0.05 -3.00 -0.02 0.00 -0.03 0.00 0.00 54.58 51.48 2b2e n ASN 12 Cb 0.47 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.73 -0.81 4.58 7.41 0.00 -1.26 -4.18 105.19 110.21 2b2e n GLY 13 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.91 0.56 3.54 -0.02 0.00 -1.26 -4.89 105.19 102.22 2b2e n GLY 14 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 4.05 0.00 2.61 -4.23 -1.26 -4.44 115.64 112.38 2b2e s THR 15 Ca 0.00 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2b2e s THR 15 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2b2e s THR 15 CO 0.00 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2b2e n GLY 16 N 3.27 0.37 3.68 3.99 0.00 -1.26 -4.57 105.19 110.68 2b2e n GLY 16 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.30 2.65 -4.32 1.61 9.92 -1.26 -4.80 116.55 120.04 2b2e n ASP 17 Ca 0.00 1.18 -0.44 0.00 -0.53 0.00 0.00 54.79 55.00 2b2e n ASP 17 Cb 0.15 -1.45 -0.07 0.00 -0.64 0.00 0.00 41.12 39.11 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 -0.70 4.92 -0.15 2.53 1.01 -0.43 -4.98 120.40 122.60 2b2e s VAL 18 Ca 0.60 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2b2e s VAL 18 Cb -0.61 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 2b2e s VAL 18 CO 0.57 -0.68 0.09 0.28 0.00 0.00 0.00 175.10 175.36 2b2e s THR 19 N 1.55 5.08 0.03 3.92 -1.32 -1.26 -0.42 115.64 123.23 2b2e s THR 19 Ca 0.04 0.06 0.07 0.00 -1.21 0.00 0.00 61.69 60.65 2b2e s THR 19 Cb -0.26 -3.25 -0.03 0.00 -1.51 0.00 0.00 72.50 67.44 2b2e s THR 19 CO 0.04 0.53 -0.19 0.54 -2.21 0.00 0.00 174.62 173.32 2b2e s VAL 20 N -0.25 2.71 0.20 5.08 0.11 -0.53 -4.04 120.40 123.69 2b2e s VAL 20 Ca 0.09 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 58.03 2b2e s VAL 20 Cb -0.12 -2.12 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 2b2e s VAL 20 CO 0.01 0.38 -0.07 0.00 -3.33 0.00 0.00 175.10 172.09 2b2e s ALA 21 N -0.88 1.80 0.37 1.54 0.00 -0.55 -1.52 121.76 122.52 2b2e s ALA 21 Ca 0.14 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.15 2b2e s ALA 21 Cb -0.10 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 23.09 2b2e s ALA 21 CO 0.04 -0.11 1.50 -2.30 0.00 0.00 0.00 175.76 174.89 2b2e n PRO 22 N -0.36 2.67 0.00 0.00 -0.02 -1.26 -1.03 135.00 135.00 2b2e n PRO 22 Ca -0.07 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2b2e n PRO 22 Cb 0.62 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2b2e n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2b2e n SER 23 N 0.68 0.34 -3.61 2.55 3.41 -0.15 -4.80 113.62 112.05 2b2e n SER 23 Ca 0.02 -0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.57 2b2e n SER 23 Cb 0.38 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.17 -0.15 0.00 4.04 2.47 -1.23 -5.00 114.94 114.90 2b2e s ASN 24 Ca 0.00 0.12 0.12 0.00 0.42 0.00 0.00 52.86 53.52 2b2e s ASN 24 Cb 0.00 0.13 0.20 0.00 -1.45 0.00 0.00 41.25 40.13 2b2e s ASN 24 CO 0.00 -0.17 1.06 0.33 -3.72 0.00 0.00 177.10 174.60 2b2e n PHE 25 N 0.38 0.00 -2.29 0.43 -0.00 -1.26 -0.92 117.46 113.80 2b2e n PHE 25 Ca -0.02 -0.25 -0.41 0.00 -0.00 0.00 0.00 57.45 56.78 2b2e n PHE 25 Cb 0.58 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.48 39.96 2b2e n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2b2e s ALA 26 N 0.00 3.45 -1.52 3.13 0.00 -1.25 -3.20 121.76 122.37 2b2e s ALA 26 Ca 0.16 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2b2e s ALA 26 Cb 0.18 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2b2e s ALA 26 CO -0.08 -0.40 0.00 0.09 0.00 0.00 0.00 175.76 175.37 2b2e n ASN 27 N 1.08 -5.06 -0.97 0.00 3.02 -1.26 -2.66 115.26 109.41 2b2e n ASN 27 Ca -0.00 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 2b2e n ASN 27 Cb 0.43 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.43 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 -0.99 1.06 3.14 7.41 0.00 -1.19 -4.98 105.19 109.62 2b2e n GLY 28 Ca -0.20 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.46 2.66 0.17 1.61 1.01 -1.09 -4.57 120.40 117.73 2b2e s VAL 29 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 2b2e s VAL 29 Cb 0.00 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 2b2e s VAL 29 CO 0.00 -0.05 1.11 0.00 0.00 0.00 0.00 175.10 176.17 2b2e s ALA 30 N 1.20 3.37 0.06 5.51 0.00 -0.13 -3.95 121.76 127.82 2b2e s ALA 30 Ca -0.06 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.78 2b2e s ALA 30 Cb -0.20 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2b2e s ALA 30 CO -0.03 -0.24 -0.18 -2.00 0.00 0.00 0.00 175.76 173.32 2b2e s GLU 31 N -0.23 1.08 -0.02 0.00 2.12 -0.10 -1.34 118.70 120.22 2b2e s GLU 31 Ca 0.50 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2b2e s GLU 31 Cb -0.29 -1.18 0.02 0.00 0.26 0.00 0.00 34.13 32.93 2b2e s GLU 31 CO 0.35 0.29 -0.00 -1.58 -0.54 0.00 0.00 175.26 173.77 2b2e s TRP 32 N -0.98 0.21 0.13 5.30 0.51 -0.17 -0.97 118.94 122.97 2b2e s TRP 32 Ca 0.04 0.01 0.04 0.00 -2.12 0.00 0.00 56.10 54.07 2b2e s TRP 32 Cb -0.09 -0.28 -0.04 0.00 -0.81 0.00 0.00 33.47 32.25 2b2e s TRP 32 CO 0.02 -0.08 -0.10 0.96 -0.51 0.00 0.00 176.95 177.24 2b2e s ILE 33 N 0.67 1.10 0.90 2.03 -0.00 -0.20 -1.04 121.20 124.65 2b2e s ILE 33 Ca -0.06 -1.93 -0.12 0.00 -0.00 0.00 0.00 60.65 58.54 2b2e s ILE 33 Cb -0.09 -1.70 0.13 0.00 -0.00 0.00 0.00 42.46 40.80 2b2e s ILE 33 CO -0.01 -0.68 1.13 -0.94 -0.00 0.00 0.00 174.94 174.44 2b2e s SER 34 N -2.93 3.63 0.00 4.36 1.04 -0.36 -1.48 113.70 117.95 2b2e s SER 34 Ca 0.13 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 2b2e s SER 34 Cb 0.01 -1.58 -0.19 0.00 0.10 0.00 0.00 66.02 64.36 2b2e s SER 34 CO 0.00 -2.48 3.09 -0.24 0.98 0.00 0.00 173.24 174.59 2b2e n SER 35 N -3.72 5.03 -1.49 7.02 2.88 -1.26 -4.76 113.62 117.32 2b2e n SER 35 Ca 0.07 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 2b2e n SER 35 Cb 0.59 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 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 2.27 1.92 -4.71 -3.46 5.03 -1.26 -5.09 115.26 109.96 2b2e n ASN 36 Ca 0.31 -0.74 -0.42 0.00 0.87 0.00 0.00 54.58 54.59 2b2e n ASN 36 Cb 0.78 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.51 2b2e n ASN 36 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2b2e s SER 37 N -0.51 7.19 0.55 6.41 0.15 -1.26 -4.85 113.70 121.38 2b2e s SER 37 Ca 0.00 1.85 0.45 0.00 0.70 0.00 0.00 55.95 58.95 2b2e s SER 37 Cb 0.00 -2.57 1.66 0.00 -1.71 0.00 0.00 66.02 63.40 2b2e s SER 37 CO 0.00 -0.39 1.65 -0.09 1.20 0.00 0.00 173.24 175.61 2b2e h ARG 38 N 6.85 0.01 0.00 5.44 9.65 -1.97 1.19 114.38 135.55 2b2e h ARG 38 Ca -0.41 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.39 2b2e h ARG 38 Cb 1.21 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 2b2e h ARG 38 CO 0.79 0.01 -0.41 0.66 2.80 0.00 0.00 179.97 183.82 2b2e h SER 39 N 0.01 0.00 -0.71 -3.80 4.64 -1.90 -3.32 113.55 108.47 2b2e h SER 39 Ca 0.81 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.76 2b2e h SER 39 Cb 3.21 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 64.89 2b2e h SER 39 CO -0.04 0.41 -1.02 0.00 -0.87 0.00 0.00 176.83 175.32 2b2e n GLN 40 N -3.48 2.29 -3.96 4.77 10.64 0.40 -4.10 117.38 123.94 2b2e n GLN 40 Ca 0.00 -3.73 -0.21 0.00 -1.83 0.00 0.00 57.00 51.23 2b2e n GLN 40 Cb 0.56 -1.79 -0.03 0.00 -0.86 0.00 0.00 30.24 28.12 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 -3.62 3.85 0.20 2.61 0.00 -0.68 -4.63 121.76 119.50 2b2e s ALA 41 Ca 0.35 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2b2e s ALA 41 Cb 0.37 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 2b2e s ALA 41 CO -0.02 0.21 0.76 0.71 0.00 0.00 0.00 175.76 177.42 2b2e s TYR 42 N -2.05 3.76 -0.01 0.00 1.51 -1.26 -4.65 117.35 114.64 2b2e s TYR 42 Ca 0.35 1.52 0.02 0.00 -1.01 0.00 0.00 57.07 57.94 2b2e s TYR 42 Cb -0.09 -2.70 0.00 0.00 -0.11 0.00 0.00 41.96 39.07 2b2e s TYR 42 CO 0.28 0.40 -0.05 0.21 -1.11 0.00 0.00 175.55 175.28 2b2e s LYS 43 N -1.63 0.55 -0.06 -0.62 2.20 -1.06 -1.23 119.74 117.89 2b2e s LYS 43 Ca 0.40 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2b2e s LYS 43 Cb -0.19 -0.55 0.02 0.00 -1.51 0.00 0.00 37.83 35.59 2b2e s LYS 43 CO 0.23 0.07 -0.06 0.08 -0.36 0.00 0.00 175.35 175.31 2b2e s VAL 44 N 0.17 0.70 0.04 4.02 1.01 -0.21 0.06 120.40 126.20 2b2e s VAL 44 Ca -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2b2e s VAL 44 Cb -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2b2e s VAL 44 CO -0.00 0.28 -0.16 0.42 0.00 0.00 0.00 175.10 175.64 2b2e s THR 45 N 1.15 1.26 0.00 3.92 -4.23 0.43 -1.00 115.64 117.16 2b2e s THR 45 Ca -0.07 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2b2e s THR 45 Cb -0.14 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 2b2e s THR 45 CO -0.01 0.06 0.03 0.00 -0.54 0.00 0.00 174.62 174.15 2b2e s SER 47 N -0.88 -0.63 -0.01 0.00 1.04 -0.79 -0.96 113.70 111.48 2b2e s SER 47 Ca -0.10 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2b2e s SER 47 Cb -0.06 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2b2e s SER 47 CO -0.00 -0.56 -0.00 0.54 0.98 0.00 0.00 173.24 174.20 2b2e s VAL 48 N -1.07 0.06 0.06 5.02 0.11 -1.26 -0.60 120.40 122.72 2b2e s VAL 48 Ca -0.09 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.97 2b2e s VAL 48 Cb -0.00 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 2b2e s VAL 48 CO 0.08 0.05 -0.04 0.00 -3.33 0.00 0.00 175.10 171.86 2b2e s ARG 49 N 0.29 0.62 -1.20 1.54 1.70 -1.02 -4.98 118.95 115.90 2b2e s ARG 49 Ca -0.02 -1.16 -0.12 0.00 -0.47 0.00 0.00 55.73 53.95 2b2e s ARG 49 Cb -0.04 0.11 0.20 0.00 -0.57 0.00 0.00 34.95 34.64 2b2e s ARG 49 CO -0.01 -0.08 1.41 0.94 -1.08 0.00 0.00 175.30 176.48 2b2e n GLN 50 N 0.28 3.45 -0.03 3.89 7.27 -1.26 -0.81 117.38 130.17 2b2e n GLN 50 Ca -0.15 -3.97 -0.04 0.00 0.07 0.00 0.00 57.00 52.90 2b2e n GLN 50 Cb 0.60 -2.92 -0.03 0.00 2.41 0.00 0.00 30.24 30.31 2b2e n GLN 50 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2b2e h SER 51 N 6.88 -0.56 -3.96 1.69 4.64 -1.90 -3.44 113.55 116.90 2b2e h SER 51 Ca 0.29 0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 2b2e h SER 51 Cb 0.85 0.23 0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2b2e h SER 51 CO 1.23 -0.13 0.05 -0.24 -0.87 0.00 0.00 176.83 176.87 2b2e n SER 52 N -3.50 0.45 0.18 4.97 2.88 -1.24 -4.97 113.62 112.39 2b2e n SER 52 Ca -0.01 -1.40 0.12 0.00 -1.33 0.00 0.00 58.87 56.25 2b2e n SER 52 Cb 0.11 -0.25 0.22 0.00 -0.75 0.00 0.00 64.21 63.54 2b2e n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b2e h ALA 53 N -0.64 0.97 0.00 -1.46 0.00 -2.04 -3.34 119.26 112.75 2b2e h ALA 53 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2b2e h ALA 53 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2b2e h ALA 53 CO 0.13 0.00 -0.08 1.04 0.00 0.00 0.00 179.25 180.34 2b2e n GLN 54 N -2.86 1.47 -4.12 0.00 6.02 -1.26 -5.01 117.38 111.62 2b2e n GLN 54 Ca 0.04 -1.73 -0.12 0.00 -0.01 0.00 0.00 57.00 55.18 2b2e n GLN 54 Cb 0.50 -1.06 -0.11 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.63 1.06 -0.03 1.08 0.02 -1.25 -2.04 114.94 112.15 2b2e s ASN 55 Ca 0.13 -0.76 0.05 0.00 -1.02 0.00 0.00 52.86 51.26 2b2e s ASN 55 Cb 0.11 0.05 -0.01 0.00 0.02 0.00 0.00 41.25 41.43 2b2e s ASN 55 CO 0.01 -0.31 -0.18 -0.13 0.02 0.00 0.00 177.10 176.51 2b2e s ARG 56 N -2.60 1.62 -0.18 -0.60 0.52 -0.34 -3.20 118.95 114.17 2b2e s ARG 56 Ca 0.00 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 2b2e s ARG 56 Cb -0.03 -1.50 0.03 0.00 0.52 0.00 0.00 34.95 33.97 2b2e s ARG 56 CO -0.02 0.34 -0.13 0.21 0.02 0.00 0.00 175.30 175.73 2b2e s LYS 57 N -0.26 2.24 0.06 3.54 2.20 0.01 -0.68 119.74 126.85 2b2e s LYS 57 Ca 0.03 -0.78 -0.20 0.00 -0.36 0.00 0.00 55.97 54.66 2b2e s LYS 57 Cb -0.09 -2.36 -0.06 0.00 -1.51 0.00 0.00 37.83 33.81 2b2e s LYS 57 CO 0.00 -0.35 0.59 0.71 -0.36 0.00 0.00 175.35 175.95 2b2e s TYR 58 N 1.40 3.78 -0.20 4.03 1.51 0.93 -2.44 117.35 126.36 2b2e s TYR 58 Ca 0.01 1.28 -0.00 0.00 -1.01 0.00 0.00 57.07 57.35 2b2e s TYR 58 Cb -0.15 -2.55 0.05 0.00 -0.11 0.00 0.00 41.96 39.20 2b2e s TYR 58 CO -0.09 0.51 -0.05 0.99 -1.11 0.00 0.00 175.55 175.80 2b2e s THR 59 N -0.83 1.29 -0.04 -0.71 2.01 0.23 -0.60 115.64 116.98 2b2e s THR 59 Ca 0.30 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.47 2b2e s THR 59 Cb -0.19 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 2b2e s THR 59 CO 0.19 0.01 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.26 2b2e s ILE 60 N 1.53 2.11 0.01 1.82 1.01 0.09 -1.89 121.20 125.88 2b2e s ILE 60 Ca -0.02 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.59 2b2e s ILE 60 Cb -0.17 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2b2e s ILE 60 CO -0.07 0.57 -0.09 -0.54 0.00 0.00 0.00 174.94 174.82 2b2e s LYS 61 N -0.35 0.63 -0.01 2.79 1.02 0.01 -0.66 119.74 123.18 2b2e s LYS 61 Ca 0.02 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2b2e s LYS 61 Cb -0.12 -0.57 -0.00 0.00 -0.52 0.00 0.00 37.83 36.62 2b2e s LYS 61 CO 0.02 0.14 -0.06 0.08 -0.92 0.00 0.00 175.35 174.61 2b2e s VAL 62 N -0.56 0.51 -0.20 3.17 1.01 -0.41 -0.43 120.40 123.49 2b2e s VAL 62 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2b2e s VAL 62 Cb -0.05 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.93 2b2e s VAL 62 CO 0.00 0.14 -0.14 -1.61 0.00 0.00 0.00 175.10 173.50 2b2e s GLU 63 N -0.15 2.39 -0.26 2.72 2.02 0.11 -1.09 118.70 124.43 2b2e s GLU 63 Ca 0.02 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 2b2e s GLU 63 Cb -0.03 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2b2e s GLU 63 CO -0.00 -0.37 0.10 0.08 0.02 0.00 0.00 175.26 175.09 2b2e s VAL 64 N 1.31 4.49 0.18 2.63 1.01 -0.06 -2.55 120.40 127.40 2b2e s VAL 64 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2b2e s VAL 64 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2b2e s VAL 64 CO -0.09 0.28 0.22 -2.16 0.00 0.00 0.00 175.10 173.35 2b2e s PRO 65 N 1.63 3.15 -0.48 2.72 0.04 -1.26 0.15 135.00 140.95 2b2e s PRO 65 Ca 0.06 -0.79 -0.11 0.00 0.04 0.00 0.00 61.00 60.21 2b2e s PRO 65 Cb -0.16 -2.77 0.12 0.00 0.04 0.00 0.00 34.50 31.73 2b2e s PRO 65 CO 0.05 0.48 0.37 0.21 0.04 0.00 0.00 177.00 178.16 2b2e s LYS 66 N -3.33 2.58 0.37 4.56 2.47 -0.62 -4.99 119.74 120.78 2b2e s LYS 66 Ca 0.33 -1.75 -0.27 0.00 -1.56 0.00 0.00 55.97 52.72 2b2e s LYS 66 Cb -0.10 -4.00 -0.09 0.00 -1.46 0.00 0.00 37.83 32.18 2b2e s LYS 66 CO 0.26 -1.21 1.25 0.14 0.16 0.00 0.00 175.35 175.94 2b2e s VAL 67 N 1.41 2.87 0.12 4.02 -7.23 -1.26 -0.17 120.40 120.15 2b2e s VAL 67 Ca 0.05 0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 61.01 2b2e s VAL 67 Cb -0.27 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2b2e s VAL 67 CO 0.00 0.14 0.19 0.00 -0.31 0.00 0.00 175.10 175.11 2b2e n ALA 68 N 0.41 -0.24 -3.51 1.32 0.00 0.68 -4.76 120.51 114.40 2b2e n ALA 68 Ca 0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 2b2e n ALA 68 Cb 0.44 0.40 -0.13 0.00 0.00 0.00 0.00 19.45 20.16 2b2e n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2b2e s THR 69 N -2.60 0.15 0.44 0.00 2.01 -1.26 -2.16 115.64 112.22 2b2e s THR 69 Ca 0.08 -1.40 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 2b2e s THR 69 Cb -0.01 -1.13 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 2b2e s THR 69 CO 0.06 -0.88 0.94 -1.58 -0.69 0.00 0.00 174.62 172.47 2b2e s GLN 70 N 1.42 4.15 -0.73 4.92 0.74 -0.83 -4.84 119.66 124.50 2b2e s GLN 70 Ca 0.15 1.05 -0.00 0.00 0.05 0.00 0.00 55.36 56.60 2b2e s GLN 70 Cb -0.20 -2.19 0.18 0.00 1.10 0.00 0.00 33.01 31.90 2b2e s GLN 70 CO -0.13 -0.07 0.56 0.99 -0.55 0.00 0.00 175.29 176.09 2b2e s THR 71 N -2.26 3.71 -0.18 -0.34 2.01 -1.26 -1.24 115.64 116.08 2b2e s THR 71 Ca 0.61 -3.57 -0.16 0.00 0.31 0.00 0.00 61.69 58.88 2b2e s THR 71 Cb -0.09 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2b2e s THR 71 CO 0.17 -0.97 0.39 -0.69 -0.69 0.00 0.00 174.62 172.83 2b2e s VAL 72 N -0.82 5.22 -1.87 3.82 1.01 -0.83 -4.09 120.40 122.85 2b2e s VAL 72 Ca 0.22 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2b2e s VAL 72 Cb -0.13 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2b2e s VAL 72 CO -0.09 0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2b2e n GLY 73 N 3.67 0.37 2.19 4.51 0.00 -1.26 -1.43 105.19 113.23 2b2e n GLY 73 Ca -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.84 0.69 3.32 -0.02 0.00 -1.26 -5.03 105.19 102.06 2b2e n GLY 74 Ca -0.23 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.08 2.02 -0.30 1.61 1.01 -0.51 -5.09 120.40 117.06 2b2e s VAL 75 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 61.98 60.47 2b2e s VAL 75 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2b2e s VAL 75 CO 0.00 0.41 0.88 -1.61 0.00 0.00 0.00 175.10 174.78 2b2e s GLU 76 N -1.02 4.02 -0.04 2.72 2.02 -1.26 -1.96 118.70 123.19 2b2e s GLU 76 Ca 0.11 0.78 0.07 0.00 0.02 0.00 0.00 54.97 55.94 2b2e s GLU 76 Cb -0.10 -3.72 -0.01 0.00 0.10 0.00 0.00 34.13 30.40 2b2e s GLU 76 CO 0.01 -0.72 -0.25 -0.51 0.02 0.00 0.00 175.26 173.81 2b2e s LEU 77 N 3.14 2.05 0.14 1.80 1.43 -0.38 -5.02 118.68 121.85 2b2e s LEU 77 Ca 0.37 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 2b2e s LEU 77 Cb -0.14 -1.33 -0.07 0.00 0.03 0.00 0.00 46.19 44.69 2b2e s LEU 77 CO 0.12 0.27 1.05 -2.16 0.23 0.00 0.00 176.35 175.87 2b2e s PRO 78 N -0.35 4.62 0.33 1.29 0.04 -1.26 -1.96 135.00 137.72 2b2e s PRO 78 Ca 0.02 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 2b2e s PRO 78 Cb -0.12 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.13 2b2e s PRO 78 CO 0.02 0.11 0.68 0.54 0.04 0.00 0.00 177.00 178.38 2b2e s VAL 79 N -0.04 0.00 -0.19 -0.36 0.11 -0.92 -4.79 120.40 114.21 2b2e s VAL 79 Ca 0.49 -1.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.34 2b2e s VAL 79 Cb -0.27 -2.48 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 2b2e s VAL 79 CO 0.32 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 172.10 2b2e s ALA 80 N -3.15 3.11 0.26 1.54 0.00 -1.26 -0.23 121.76 122.03 2b2e s ALA 80 Ca 0.17 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2b2e s ALA 80 Cb -0.04 -1.78 0.33 0.00 0.00 0.00 0.00 23.12 21.62 2b2e s ALA 80 CO 0.11 -0.03 1.75 0.00 0.00 0.00 0.00 175.76 177.58 2b2e h ALA 81 N 7.22 1.09 -1.95 0.00 0.00 -0.86 -3.46 119.26 121.30 2b2e h ALA 81 Ca -0.35 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 54.46 2b2e h ALA 81 Cb 1.18 -0.19 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 2b2e h ALA 81 CO 0.63 0.57 0.63 1.67 0.00 0.00 0.00 179.25 182.75 2b2e s TRP 82 N -4.93 -0.25 0.08 0.00 1.48 -1.26 -5.03 118.94 109.04 2b2e s TRP 82 Ca -0.09 0.14 0.08 0.00 -1.06 0.00 0.00 56.10 55.17 2b2e s TRP 82 Cb 0.14 0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 32.95 2b2e s TRP 82 CO 0.81 -0.41 -0.21 1.03 -4.06 0.00 0.00 176.95 174.11 2b2e s ARG 83 N -2.83 1.20 -0.14 3.25 0.52 -1.26 -1.59 118.95 118.09 2b2e s ARG 83 Ca 0.07 -1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 54.16 2b2e s ARG 83 Cb -0.01 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.01 2b2e s ARG 83 CO -0.07 0.34 0.03 0.45 0.02 0.00 0.00 175.30 176.07 2b2e s SER 84 N -1.64 5.41 -0.17 0.23 0.15 0.12 -4.95 113.70 112.85 2b2e s SER 84 Ca 0.07 0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.80 2b2e s SER 84 Cb -0.10 -1.79 -0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2b2e s SER 84 CO 0.03 0.25 -0.14 -0.31 1.20 0.00 0.00 173.24 174.28 2b2e s TYR 85 N -0.13 2.81 -0.12 3.44 2.02 -1.26 -0.88 117.35 123.23 2b2e s TYR 85 Ca 0.06 -1.08 -0.03 0.00 -0.37 0.00 0.00 57.07 55.64 2b2e s TYR 85 Cb -0.12 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2b2e s TYR 85 CO 0.02 -0.52 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.29 2b2e s LEU 86 N 0.97 3.40 -0.19 -1.29 2.96 -0.25 -4.99 118.68 119.29 2b2e s LEU 86 Ca -0.02 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2b2e s LEU 86 Cb -0.15 -1.80 0.07 0.00 0.50 0.00 0.00 46.19 44.82 2b2e s LEU 86 CO -0.02 0.27 0.14 -0.55 -1.32 0.00 0.00 176.35 174.87 2b2e s SER 87 N -0.25 2.05 -0.03 3.68 0.15 -1.26 -1.28 113.70 116.75 2b2e s SER 87 Ca 0.05 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.26 2b2e s SER 87 Cb -0.13 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 2b2e s SER 87 CO 0.02 -0.35 -0.24 0.00 1.20 0.00 0.00 173.24 173.88 2b2e s MET 88 N 2.21 2.12 -0.13 5.44 0.23 0.17 -5.01 119.30 124.32 2b2e s MET 88 Ca 0.04 -0.86 0.02 0.00 -1.03 0.00 0.00 55.69 53.86 2b2e s MET 88 Cb -0.16 -1.96 0.01 0.00 -1.53 0.00 0.00 34.83 31.20 2b2e s MET 88 CO -0.11 0.47 -0.18 0.15 -2.03 0.00 0.00 175.02 173.31 2b2e s LYS 89 N -0.42 2.58 -0.16 3.16 1.02 -1.26 -0.74 119.74 123.91 2b2e s LYS 89 Ca 0.05 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 2b2e s LYS 89 Cb -0.11 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2b2e s LYS 89 CO 0.00 -0.05 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.07 2b2e s LEU 90 N 0.95 2.51 -0.24 3.17 2.96 0.23 -4.97 118.68 123.29 2b2e s LEU 90 Ca -0.06 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2b2e s LEU 90 Cb -0.15 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2b2e s LEU 90 CO -0.02 0.07 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.13 2b2e s THR 91 N 0.88 3.05 -0.13 3.68 2.01 -1.26 -0.05 115.64 123.83 2b2e s THR 91 Ca -0.04 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2b2e s THR 91 Cb -0.15 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.89 2b2e s THR 91 CO -0.01 0.30 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 2b2e s ILE 92 N 1.39 2.22 0.77 1.82 1.01 0.15 -4.94 121.20 123.61 2b2e s ILE 92 Ca 0.03 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 2b2e s ILE 92 Cb -0.15 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.49 2b2e s ILE 92 CO -0.04 0.55 1.21 -2.16 0.00 0.00 0.00 174.94 174.49 2b2e s PRO 93 N 0.65 1.89 0.51 2.79 0.04 -1.26 -1.20 135.00 138.43 2b2e s PRO 93 Ca -0.10 1.76 0.30 0.00 0.04 0.00 0.00 61.00 63.00 2b2e s PRO 93 Cb -0.16 -1.80 1.07 0.00 0.04 0.00 0.00 34.50 33.64 2b2e s PRO 93 CO 0.02 -2.02 1.88 -0.84 0.04 0.00 0.00 177.00 176.07 2b2e h ILE 94 N -0.59 0.07 0.00 0.56 3.07 -1.76 -2.90 117.51 115.97 2b2e h ILE 94 Ca -0.47 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 65.23 2b2e h ILE 94 Cb 1.30 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 2b2e h ILE 94 CO 0.48 0.03 0.00 0.49 -1.05 0.00 0.00 178.15 178.10 2b2e n PHE 95 N -3.13 0.00 -1.93 0.16 3.72 -1.26 -4.78 117.46 110.24 2b2e n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2b2e n PHE 95 Cb 0.38 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 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 -2.86 3.69 0.97 4.37 0.00 -1.10 -4.99 121.76 121.83 2b2e s ALA 96 Ca 0.13 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.15 2b2e s ALA 96 Cb 0.13 -3.69 0.18 0.00 0.00 0.00 0.00 23.12 19.74 2b2e s ALA 96 CO 0.35 -1.09 1.19 0.99 0.00 0.00 0.00 175.76 177.20 2b2e s THR 97 N 2.59 1.93 0.04 0.00 2.01 -1.26 -4.82 115.64 116.12 2b2e s THR 97 Ca 0.74 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.51 2b2e s THR 97 Cb -0.40 -2.81 -0.14 0.00 0.01 0.00 0.00 72.50 69.16 2b2e s THR 97 CO 0.32 0.00 1.47 0.78 -0.69 0.00 0.00 174.62 176.50 2b2e h ASN 98 N -1.68 0.17 -0.92 3.53 4.21 -1.99 -1.00 115.58 117.89 2b2e h ASN 98 Ca -0.47 -0.31 0.08 0.00 1.21 0.00 0.00 56.30 56.81 2b2e h ASN 98 Cb 1.30 -0.05 -0.07 0.00 -1.12 0.00 0.00 38.32 38.38 2b2e h ASN 98 CO 0.50 0.44 0.58 0.77 -1.29 0.00 0.00 177.43 178.43 2b2e h SER 99 N -0.11 0.89 -0.06 5.81 4.64 -2.00 -0.78 113.55 121.94 2b2e h SER 99 Ca 0.03 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2b2e h SER 99 Cb 0.35 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 2b2e h SER 99 CO 0.01 0.54 -0.14 0.44 -0.87 0.00 0.00 176.83 176.81 2b2e h ASP 100 N 1.01 -0.42 -0.96 4.97 3.32 -1.79 -2.33 116.42 120.21 2b2e h ASP 100 Ca 0.42 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.57 2b2e h ASP 100 Cb 0.26 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 2b2e h ASP 100 CO -0.20 -0.19 0.63 0.00 -1.72 0.00 0.00 179.24 177.76 2b2e h GLU 102 N 1.25 0.32 -0.06 0.00 5.08 -0.62 0.13 114.58 120.68 2b2e h GLU 102 Ca 0.37 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2b2e h GLU 102 Cb -0.06 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2b2e h GLU 102 CO -0.11 0.21 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.04 2b2e h LEU 103 N 0.33 0.11 -0.76 1.33 4.07 -1.17 -1.05 115.31 118.17 2b2e h LEU 103 Ca 0.47 -0.32 0.17 0.00 0.08 0.00 0.00 57.88 58.28 2b2e h LEU 103 Cb 1.28 -0.03 -0.11 0.00 1.08 0.00 0.00 40.66 42.88 2b2e h LEU 103 CO -0.15 0.40 0.19 0.40 -1.08 0.00 0.00 178.44 178.20 2b2e h ILE 104 N -0.18 0.50 0.76 1.22 2.04 -0.72 0.32 117.51 121.44 2b2e h ILE 104 Ca 0.02 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2b2e h ILE 104 Cb 0.34 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2b2e h ILE 104 CO 0.00 0.05 -0.36 0.58 0.00 0.00 0.00 178.15 178.42 2b2e h VAL 105 N 0.27 0.00 -0.98 1.67 2.07 -1.04 -2.22 116.25 116.02 2b2e h VAL 105 Ca 0.43 -0.09 0.26 0.00 0.82 0.00 0.00 66.70 68.12 2b2e h VAL 105 Cb 0.75 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.39 2b2e h VAL 105 CO -0.52 0.00 0.55 0.11 0.02 0.00 0.00 177.57 177.73 2b2e h LYS 106 N -1.11 0.48 -0.25 1.57 1.57 -0.53 0.15 116.57 118.46 2b2e h LYS 106 Ca -0.10 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2b2e h LYS 106 Cb 0.78 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2b2e h LYS 106 CO 0.17 0.32 0.11 0.00 -0.57 0.00 0.00 179.45 179.48 2b2e h ALA 107 N 1.75 0.29 -0.29 3.86 0.00 -0.23 0.42 119.26 125.06 2b2e h ALA 107 Ca 0.65 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 2b2e h ALA 107 Cb 1.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2b2e h ALA 107 CO -0.51 -0.29 0.04 0.52 0.00 0.00 0.00 179.25 179.01 2b2e h MET 108 N 0.25 0.43 -0.22 0.00 2.86 -0.13 0.38 114.93 118.50 2b2e h MET 108 Ca 0.10 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 2b2e h MET 108 Cb 0.04 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2b2e h MET 108 CO -0.08 0.43 -0.38 1.96 1.06 0.00 0.00 176.91 179.90 2b2e h GLN 109 N 0.42 0.64 -0.60 1.72 4.20 -0.45 -3.13 115.11 117.92 2b2e h GLN 109 Ca 0.10 -0.40 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2b2e h GLN 109 Cb 0.22 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2b2e h GLN 109 CO 0.00 1.02 0.18 0.78 -0.67 0.00 0.00 178.83 180.14 2b2e h GLY 110 N 0.34 1.00 0.36 3.46 0.00 -0.42 -2.39 103.07 105.43 2b2e h GLY 110 Ca 0.01 -0.60 0.24 0.00 0.00 0.00 0.00 47.33 46.98 2b2e h GLY 110 CO 0.09 0.56 0.59 -2.00 0.00 0.00 0.00 176.54 175.78 2b2e h LEU 111 N 0.85 0.00 -2.67 3.11 5.85 -0.89 -2.09 115.31 119.48 2b2e h LEU 111 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2b2e h LEU 111 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2b2e h LEU 111 CO -0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 2b2e n LEU 112 N -4.27 2.60 -4.77 2.25 4.77 -0.99 -4.38 117.00 112.22 2b2e n LEU 112 Ca 0.17 -1.85 -0.39 0.00 -0.03 0.00 0.00 56.01 53.91 2b2e n LEU 112 Cb 0.89 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 2b2e n LEU 112 CO 0.38 0.64 1.00 -0.75 -1.33 0.00 0.00 177.39 177.33 2b2e s LYS 113 N -0.96 3.79 0.24 3.23 2.20 -0.79 -4.80 119.74 122.65 2b2e s LYS 113 Ca 0.18 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 57.74 2b2e s LYS 113 Cb 0.09 -2.67 -0.15 0.00 -1.51 0.00 0.00 37.83 33.60 2b2e s LYS 113 CO 0.13 -0.68 1.06 -0.25 -0.36 0.00 0.00 175.35 175.25 2b2e n ASP 114 N -0.11 1.26 0.00 1.43 8.00 -1.26 -2.07 116.55 123.81 2b2e n ASP 114 Ca 0.05 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2b2e n ASP 114 Cb 0.43 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2b2e n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2e n GLY 115 N 1.58 2.76 3.80 0.44 0.00 -1.26 -5.03 105.19 107.47 2b2e n GLY 115 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.64 7.07 0.04 1.61 0.01 -0.88 -4.85 114.94 116.29 2b2e s ASN 116 Ca 0.00 1.76 -0.07 0.00 -0.71 0.00 0.00 52.86 53.84 2b2e s ASN 116 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 2b2e s ASN 116 CO 0.00 -0.27 0.73 -0.81 -1.51 0.00 0.00 177.10 175.25 2b2e n PRO 117 N -0.20 -0.10 0.12 -0.60 -0.04 -1.26 -1.74 135.00 131.18 2b2e n PRO 117 Ca 0.05 0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 64.08 2b2e n PRO 117 Cb 0.52 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.05 -0.28 0.52 2.04 -1.94 0.36 117.51 118.26 2b2e h ILE 118 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2b2e h ILE 118 Cb 0.09 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2b2e h ILE 118 CO -0.21 0.00 0.12 1.55 0.00 0.00 0.00 178.15 179.61 2b2e h PRO 119 N -0.73 0.39 0.01 2.37 0.13 -1.73 -1.70 132.00 130.74 2b2e h PRO 119 Ca 0.00 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.12 2b2e h PRO 119 Cb 0.74 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 2b2e h PRO 119 CO -0.27 0.32 -0.22 0.77 -0.23 0.00 0.00 178.00 178.37 2b2e h SER 120 N 0.39 -0.65 0.14 1.44 0.02 -0.39 -0.46 113.55 114.04 2b2e h SER 120 Ca 0.10 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2b2e h SER 120 Cb 0.07 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2b2e h SER 120 CO -0.01 -0.29 -0.19 0.00 -1.14 0.00 0.00 176.83 175.20 2b2e h ALA 121 N 0.50 -0.35 -0.41 3.77 0.00 -0.53 -2.83 119.26 119.41 2b2e h ALA 121 Ca 0.06 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2b2e h ALA 121 Cb 0.43 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2b2e h ALA 121 CO -0.19 -0.73 -0.00 0.82 0.00 0.00 0.00 179.25 179.15 2b2e h ILE 122 N -0.38 0.68 0.00 0.00 2.04 -1.08 -0.03 117.51 118.74 2b2e h ILE 122 Ca 0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2b2e h ILE 122 Cb 0.38 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2b2e h ILE 122 CO -0.08 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.09 2b2e n ALA 123 N -2.58 2.00 -1.02 1.87 0.00 -0.20 -2.45 120.51 118.12 2b2e n ALA 123 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2b2e n ALA 123 Cb 0.22 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.95 1.79 -3.69 0.00 0.00 -0.07 -5.02 120.51 112.57 2b2e n ALA 124 Ca 0.09 -1.24 -0.29 0.00 0.00 0.00 0.00 53.44 51.99 2b2e n ALA 124 Cb 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.46 -4.53 -3.99 0.00 3.02 -0.92 -4.98 115.26 103.41 2b2e n ASN 125 Ca 0.04 -0.99 -0.09 0.00 -0.03 0.00 0.00 54.58 53.51 2b2e n ASN 125 Cb 0.52 -3.48 -0.05 0.00 -0.61 0.00 0.00 39.78 36.16 2b2e n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2b2e s SER 126 N -3.63 -0.09 0.10 6.41 1.04 -1.04 -5.07 113.70 111.43 2b2e s SER 126 Ca 0.39 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2b2e s SER 126 Cb -0.13 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2b2e s SER 126 CO 0.85 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2b2e n GLY 127 N -0.37 1.56 3.85 7.32 0.00 -1.26 -4.36 105.19 111.93 2b2e n GLY 127 Ca -0.02 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 0.92 5.24 0.00 -0.61 1.09 -1.26 -4.86 121.20 121.72 2b2e s ILE 128 Ca 0.00 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.11 2b2e s ILE 128 Cb 0.00 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 2b2e s ILE 128 CO 0.00 0.59 0.00 0.00 -0.10 0.00 0.00 174.94 175.43