#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e s LYS 2 N 0.00 0.28 0.76 0.03 1.02 -1.26 -5.04 119.74 115.53 2k2e s LYS 2 Ca 0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 2k2e s LYS 2 Cb 0.00 -0.08 0.13 0.00 -0.52 0.00 0.00 37.83 37.36 2k2e s LYS 2 CO 0.00 0.01 1.06 -0.51 -0.92 0.00 0.00 175.35 174.99 2k2e s LEU 3 N -0.86 2.92 0.02 3.17 2.01 -1.26 -5.02 118.68 119.66 2k2e s LEU 3 Ca -0.07 -0.16 -0.18 0.00 0.01 0.00 0.00 54.13 53.73 2k2e s LEU 3 Cb -0.06 -2.17 -0.27 0.00 0.01 0.00 0.00 46.19 43.70 2k2e s LEU 3 CO -0.00 -2.00 1.07 0.45 1.01 0.00 0.00 176.35 176.87 2k2e h HIS 4 N -0.75 0.79 -2.94 0.29 3.86 -2.04 -3.46 115.15 110.91 2k2e h HIS 4 Ca -0.39 -0.48 -0.62 0.00 -1.16 0.00 0.00 60.37 57.72 2k2e h HIS 4 Cb 1.26 -0.07 -0.14 0.00 1.06 0.00 0.00 27.41 29.53 2k2e h HIS 4 CO -0.34 1.33 -0.72 0.99 0.86 0.00 0.00 177.93 180.04 2k2e s THR 5 N -2.98 3.13 -0.15 2.45 2.01 -1.26 -4.92 115.64 113.92 2k2e s THR 5 Ca -0.12 -1.72 -0.00 0.00 0.31 0.00 0.00 61.69 60.16 2k2e s THR 5 Cb 0.04 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2k2e s THR 5 CO 0.87 -0.14 0.01 0.47 -0.69 0.00 0.00 174.62 175.15 2k2e n ASP 6 N -0.03 -4.98 0.02 3.53 9.92 -1.26 -4.92 116.55 118.83 2k2e n ASP 6 Ca -0.10 0.70 0.12 0.00 -0.53 0.00 0.00 54.79 54.97 2k2e n ASP 6 Cb 0.56 -3.15 0.49 0.00 -0.64 0.00 0.00 41.12 38.38 2k2e n ASP 6 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k2e n PRO 7 N 0.32 0.05 -2.42 -0.24 -0.04 -1.26 -4.57 135.00 126.84 2k2e n PRO 7 Ca 0.00 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 2k2e n PRO 7 Cb 0.01 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 31.88 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e s ALA 8 N -3.04 3.46 0.19 0.55 0.00 -1.26 -5.02 121.76 116.64 2k2e s ALA 8 Ca 0.11 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.34 2k2e s ALA 8 Cb 0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2k2e s ALA 8 CO 0.45 -1.58 0.12 0.99 0.00 0.00 0.00 175.76 175.73 2k2e s THR 9 N 4.11 4.29 -2.00 0.00 2.01 -1.26 -4.99 115.64 117.80 2k2e s THR 9 Ca 0.56 -1.25 0.16 0.00 0.31 0.00 0.00 61.69 61.47 2k2e s THR 9 Cb -0.18 -3.22 0.46 0.00 0.01 0.00 0.00 72.50 69.57 2k2e s THR 9 CO 0.20 -0.17 1.39 0.00 -0.69 0.00 0.00 174.62 175.35 2k2e n ALA 10 N -0.51 2.18 -2.88 7.40 0.00 -1.26 -4.66 120.51 120.77 2k2e n ALA 10 Ca -0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 2k2e n ALA 10 Cb 0.56 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2k2e n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k2e s LEU 11 N -1.87 4.36 -0.28 0.00 1.43 -1.26 -4.49 118.68 116.56 2k2e s LEU 11 Ca 0.24 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 2k2e s LEU 11 Cb 0.11 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 44.21 2k2e s LEU 11 CO 0.19 0.38 -0.01 0.21 0.23 0.00 0.00 176.35 177.35 2k2e s ASN 12 N -1.18 4.72 0.02 2.29 2.47 -1.14 -5.05 114.94 117.07 2k2e s ASN 12 Ca 0.17 -1.06 0.04 0.00 0.42 0.00 0.00 52.86 52.43 2k2e s ASN 12 Cb -0.12 -1.72 -0.02 0.00 -1.45 0.00 0.00 41.25 37.94 2k2e s ASN 12 CO 0.06 -0.21 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.22 2k2e s THR 13 N 1.31 1.02 0.29 -5.21 2.01 -1.26 -4.46 115.64 109.34 2k2e s THR 13 Ca -0.02 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 2k2e s THR 13 Cb -0.18 -0.90 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 2k2e s THR 13 CO -0.02 0.09 1.22 0.54 -0.69 0.00 0.00 174.62 175.77 2k2e s VAL 14 N -0.64 3.09 -0.25 3.82 0.11 -1.26 -3.67 120.40 121.61 2k2e s VAL 14 Ca 0.02 1.08 0.01 0.00 -2.93 0.00 0.00 61.98 60.16 2k2e s VAL 14 Cb -0.07 -3.68 -0.18 0.00 -1.53 0.00 0.00 36.38 30.92 2k2e s VAL 14 CO 0.01 0.25 -0.18 0.35 -3.33 0.00 0.00 175.10 172.20 2k2e n THR 15 N 1.17 1.52 -3.65 5.04 -2.24 -0.07 -4.85 114.28 111.20 2k2e n THR 15 Ca 0.00 -0.58 -0.22 0.00 -2.27 0.00 0.00 64.05 60.99 2k2e n THR 15 Cb 0.43 -1.45 -0.18 0.00 -2.10 0.00 0.00 70.33 67.04 2k2e n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2e s ALA 16 N -2.52 0.26 -0.43 6.98 0.00 -0.91 -5.02 121.76 120.11 2k2e s ALA 16 Ca -0.34 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 2k2e s ALA 16 Cb 0.09 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.52 2k2e s ALA 16 CO 0.62 -0.72 0.30 -0.47 0.00 0.00 0.00 175.76 175.48 2k2e s TYR 17 N 2.17 3.33 0.00 0.00 5.04 -1.26 -0.02 117.35 126.61 2k2e s TYR 17 Ca 0.04 -1.46 0.00 0.00 -2.44 0.00 0.00 57.07 53.21 2k2e s TYR 17 Cb -0.13 -3.06 0.00 0.00 0.35 0.00 0.00 41.96 39.11 2k2e s TYR 17 CO -0.05 -0.86 0.00 0.41 -1.34 0.00 0.00 175.55 173.71 2k2e n GLY 18 N 4.97 4.20 3.56 8.97 0.00 -0.66 -5.04 105.19 121.18 2k2e n GLY 18 Ca -0.10 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.34 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 19 N -0.94 5.93 0.00 1.61 2.15 -1.26 -3.51 116.67 120.65 2k2e s ASP 19 Ca 0.00 -0.76 0.00 0.00 0.43 0.00 0.00 52.55 52.22 2k2e s ASP 19 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2k2e s ASP 19 CO 0.00 -2.00 0.00 0.61 -0.17 0.00 0.00 175.17 173.61 2k2e n GLY 20 N 6.32 2.48 3.30 2.66 0.00 -1.26 -5.03 105.19 113.66 2k2e n GLY 20 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N -2.52 1.75 -0.09 1.61 -0.85 -1.23 -2.69 117.35 113.33 2k2e s TYR 21 Ca 0.00 -0.45 0.01 0.00 -0.52 0.00 0.00 57.07 56.11 2k2e s TYR 21 Cb 0.00 -0.93 0.02 0.00 0.38 0.00 0.00 41.96 41.43 2k2e s TYR 21 CO 0.00 0.24 -0.10 0.42 -1.52 0.00 0.00 175.55 174.59 2k2e s ILE 22 N -1.54 1.06 -0.20 -3.49 1.01 -1.23 -1.66 121.20 115.15 2k2e s ILE 22 Ca 0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 2k2e s ILE 22 Cb -0.08 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2k2e s ILE 22 CO 0.05 0.36 -0.05 -0.70 0.00 0.00 0.00 174.94 174.60 2k2e s GLU 23 N 1.23 3.43 -0.28 2.79 2.12 0.97 -0.41 118.70 128.55 2k2e s GLU 23 Ca -0.04 -0.61 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 2k2e s GLU 23 Cb -0.14 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.30 2k2e s GLU 23 CO -0.03 -0.09 0.03 0.08 -0.54 0.00 0.00 175.26 174.72 2k2e s VAL 24 N 1.20 3.63 0.00 3.70 1.01 0.67 -0.89 120.40 129.72 2k2e s VAL 24 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2k2e s VAL 24 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2k2e s VAL 24 CO -0.01 0.13 0.00 0.59 0.00 0.00 0.00 175.10 175.81 2k2e n ASN 25 N 4.81 0.00 0.00 3.32 5.03 -1.24 -1.47 115.26 125.70 2k2e n ASN 25 Ca -0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.30 2k2e n ASN 25 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k2e n GLN 26 N 0.00 -0.01 -4.28 3.52 6.02 -1.26 -4.81 117.38 116.56 2k2e n GLN 26 Ca 0.00 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 2k2e n GLN 26 Cb 0.00 -0.48 -0.16 0.00 1.02 0.00 0.00 30.24 30.62 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k2e s VAL 27 N -0.01 2.29 -0.24 5.09 1.01 -0.54 -5.10 120.40 122.90 2k2e s VAL 27 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 2k2e s VAL 27 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2k2e s VAL 27 CO 0.00 0.53 0.26 0.00 0.00 0.00 0.00 175.10 175.89 2k2e s ARG 28 N 1.14 4.07 -0.12 2.72 1.70 -1.26 -0.24 118.95 126.96 2k2e s ARG 28 Ca 0.01 -0.11 -0.10 0.00 -0.47 0.00 0.00 55.73 55.07 2k2e s ARG 28 Cb -0.14 -3.58 -0.05 0.00 -0.57 0.00 0.00 34.95 30.62 2k2e s ARG 28 CO -0.08 -0.06 0.20 -0.06 -1.08 0.00 0.00 175.30 174.22 2k2e s PHE 29 N 1.41 3.58 -0.86 5.89 0.08 0.45 -4.94 117.98 123.60 2k2e s PHE 29 Ca 0.12 0.59 0.12 0.00 0.12 0.00 0.00 56.93 57.87 2k2e s PHE 29 Cb -0.15 -2.08 0.58 0.00 -0.57 0.00 0.00 43.02 40.80 2k2e s PHE 29 CO 0.07 0.60 1.42 -1.13 -0.10 0.00 0.00 175.22 176.08 2k2e n SER 30 N 2.37 4.10 -4.03 1.36 3.41 -1.26 -3.50 113.62 116.07 2k2e n SER 30 Ca -0.17 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 55.83 2k2e n SER 30 Cb 0.54 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2k2e s HIS 31 N -2.03 0.55 0.55 7.33 -3.43 -1.26 -4.90 115.29 112.10 2k2e s HIS 31 Ca 0.40 -0.89 -0.21 0.00 -0.80 0.00 0.00 55.06 53.56 2k2e s HIS 31 Cb 0.28 -0.09 -0.05 0.00 -1.43 0.00 0.00 32.58 31.29 2k2e s HIS 31 CO 0.15 -0.79 1.33 0.00 -2.00 0.00 0.00 174.74 173.43 2k2e s ALA 32 N -4.03 2.77 0.00 -1.38 0.00 -1.25 -4.73 121.76 113.15 2k2e s ALA 32 Ca 0.24 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 2k2e s ALA 32 Cb 0.03 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2k2e s ALA 32 CO 0.05 -1.33 0.04 0.96 0.00 0.00 0.00 175.76 175.48 2k2e s ILE 33 N -1.35 0.07 -0.10 0.00 -4.36 -0.97 -0.14 121.20 114.36 2k2e s ILE 33 Ca 0.72 -0.59 0.01 0.00 -0.26 0.00 0.00 60.65 60.54 2k2e s ILE 33 Cb -0.39 -0.26 0.02 0.00 1.25 0.00 0.00 42.46 43.08 2k2e s ILE 33 CO 0.45 -0.32 -0.13 0.00 0.24 0.00 0.00 174.94 175.18 2k2e s ALA 34 N -1.01 1.54 0.11 2.27 0.00 0.51 -0.52 121.76 124.66 2k2e s ALA 34 Ca -0.11 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2k2e s ALA 34 Cb -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2k2e s ALA 34 CO 0.00 -0.12 0.24 -0.59 0.00 0.00 0.00 175.76 175.29 2k2e s PHE 35 N 1.09 0.17 0.10 0.00 -0.71 -0.30 -1.18 117.98 117.16 2k2e s PHE 35 Ca -0.05 -0.57 0.01 0.00 -1.04 0.00 0.00 56.93 55.28 2k2e s PHE 35 Cb -0.14 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 2k2e s PHE 35 CO -0.02 -0.61 -0.05 0.00 -1.34 0.00 0.00 175.22 173.20 2k2e s ALA 36 N -3.88 0.94 0.15 1.99 0.00 -1.26 -0.65 121.76 119.05 2k2e s ALA 36 Ca 0.08 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 2k2e s ALA 36 Cb 0.04 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.45 2k2e s ALA 36 CO -0.08 -0.28 1.73 -1.00 0.00 0.00 0.00 175.76 176.12 2k2e h PRO 37 N 2.96 0.14 -3.48 0.00 0.13 -1.78 -3.27 132.00 126.70 2k2e h PRO 37 Ca -0.35 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 64.07 2k2e h PRO 37 Cb 1.17 -0.03 -0.35 0.00 0.13 0.00 0.00 31.00 31.91 2k2e h PRO 37 CO 0.64 0.09 -0.27 -2.00 -0.23 0.00 0.00 178.00 176.24 2k2e s GLU 38 N -6.18 2.82 0.00 0.86 2.12 -1.26 -2.89 118.70 114.17 2k2e s GLU 38 Ca -0.13 -2.79 0.00 0.00 0.36 0.00 0.00 54.97 52.41 2k2e s GLU 38 Cb 0.12 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2k2e s GLU 38 CO 0.70 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2k2e n GLY 39 N 3.09 -0.77 3.83 -1.50 0.00 -1.23 -5.08 105.19 103.53 2k2e n GLY 39 Ca 0.13 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 2k2e n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2e s PRO 40 N -2.00 4.04 -0.37 1.61 0.04 -1.26 -4.64 135.00 132.41 2k2e s PRO 40 Ca 0.00 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.30 2k2e s PRO 40 Cb 0.00 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.52 2k2e s PRO 40 CO 0.00 0.54 1.11 0.08 0.04 0.00 0.00 177.00 178.76 2k2e s VAL 41 N -1.34 4.39 0.19 -0.36 1.01 -1.26 -4.43 120.40 118.60 2k2e s VAL 41 Ca 0.34 1.55 0.10 0.00 0.00 0.00 0.00 61.98 63.97 2k2e s VAL 41 Cb -0.16 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2k2e s VAL 41 CO 0.19 -0.67 -0.15 0.00 0.00 0.00 0.00 175.10 174.47 2k2e s ALA 42 N 3.96 2.79 0.17 5.51 0.00 -0.32 -4.99 121.76 128.88 2k2e s ALA 42 Ca 0.47 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 2k2e s ALA 42 Cb -0.11 -0.58 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 2k2e s ALA 42 CO 0.21 0.45 0.66 -1.12 0.00 0.00 0.00 175.76 175.96 2k2e s SER 43 N -2.79 7.05 -0.21 0.00 0.01 -1.26 -0.36 113.70 116.14 2k2e s SER 43 Ca 0.23 1.34 -0.04 0.00 1.31 0.00 0.00 55.95 58.80 2k2e s SER 43 Cb -0.08 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 2k2e s SER 43 CO 0.13 0.12 -0.05 0.86 0.41 0.00 0.00 173.24 174.71 2k2e s TRP 44 N -1.38 2.95 0.00 2.43 -0.00 0.81 -4.80 118.94 118.94 2k2e s TRP 44 Ca 0.38 -0.86 -0.03 0.00 -0.00 0.00 0.00 56.10 55.59 2k2e s TRP 44 Cb -0.18 -2.07 -0.12 0.00 -0.00 0.00 0.00 33.47 31.10 2k2e s TRP 44 CO 0.21 -0.48 2.10 -2.30 -0.00 0.00 0.00 176.95 176.48 2k2e n PRO 45 N 4.59 1.06 -4.05 5.86 -0.02 -1.26 -3.80 135.00 137.38 2k2e n PRO 45 Ca -0.18 -0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 60.55 2k2e n PRO 45 Cb 0.51 -1.62 -0.16 0.00 -0.02 0.00 0.00 33.50 32.21 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k2e s VAL 46 N 1.44 1.86 0.05 -1.45 1.01 -1.26 -4.99 120.40 117.08 2k2e s VAL 46 Ca 0.29 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2k2e s VAL 46 Cb 0.14 -1.84 -0.24 0.00 0.00 0.00 0.00 36.38 34.44 2k2e s VAL 46 CO 0.00 0.28 1.04 -0.61 0.00 0.00 0.00 175.10 175.81 2k2e h GLN 47 N 7.93 0.10 -2.83 2.72 -0.00 -1.99 -3.34 115.11 117.70 2k2e h GLN 47 Ca -0.33 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.13 2k2e h GLN 47 Cb 1.10 0.06 -0.13 0.00 0.00 0.00 0.00 27.48 28.51 2k2e h GLN 47 CO 0.53 0.96 0.22 -0.98 0.00 0.00 0.00 178.83 179.56 2k2e s ARG 48 N -2.66 1.23 0.00 1.69 1.70 -1.26 -4.88 118.95 114.77 2k2e s ARG 48 Ca -0.03 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 2k2e s ARG 48 Cb 0.08 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 2k2e s ARG 48 CO 0.84 -0.52 0.59 -2.30 -1.08 0.00 0.00 175.30 172.83 2k2e n PRO 49 N -0.19 0.42 -0.04 3.89 -0.02 -1.26 -3.36 135.00 134.44 2k2e n PRO 49 Ca -0.17 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.27 2k2e n PRO 49 Cb 0.64 -1.29 -0.14 0.00 -0.02 0.00 0.00 33.50 32.69 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 50 N 1.18 1.80 0.00 3.55 0.00 -1.26 -4.41 120.51 121.37 2k2e n ALA 50 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 53.44 52.58 2k2e n ALA 50 Cb 0.21 -0.58 0.11 0.00 0.00 0.00 0.00 19.45 19.18 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k2e n ASP 51 N -2.77 2.52 -4.60 0.00 8.00 -1.21 -4.98 116.55 113.51 2k2e n ASP 51 Ca -0.20 -1.83 -0.43 0.00 0.71 0.00 0.00 54.79 53.04 2k2e n ASP 51 Cb 0.97 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2k2e s ILE 52 N -0.94 3.10 0.40 0.53 1.01 -1.26 -4.93 121.20 119.11 2k2e s ILE 52 Ca 0.18 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2k2e s ILE 52 Cb 0.10 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2k2e s ILE 52 CO 0.13 -0.09 0.09 0.42 0.00 0.00 0.00 174.94 175.49 2k2e s THR 53 N 8.18 0.85 0.20 2.92 -4.23 -1.26 -5.04 115.64 117.26 2k2e s THR 53 Ca 0.96 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 2k2e s THR 53 Cb -0.30 -2.44 0.12 0.00 1.34 0.00 0.00 72.50 71.22 2k2e s THR 53 CO 0.34 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.28 2k2e h ALA 54 N 1.80 0.83 -0.76 3.99 0.00 -1.89 -1.22 119.26 122.01 2k2e h ALA 54 Ca -0.38 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2k2e h ALA 54 Cb 1.27 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2k2e h ALA 54 CO 0.63 0.21 0.47 0.77 0.00 0.00 0.00 179.25 181.33 2k2e h SER 55 N 0.84 0.77 -0.20 0.00 0.02 -1.97 0.84 113.55 113.85 2k2e h SER 55 Ca 0.25 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 2k2e h SER 55 Cb -0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2k2e h SER 55 CO -0.08 0.52 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.81 2k2e h LEU 56 N 0.91 0.68 -0.83 5.07 3.38 -1.78 -2.50 115.31 120.24 2k2e h LEU 56 Ca 0.31 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2k2e h LEU 56 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2k2e h LEU 56 CO -0.13 0.92 -0.06 -0.07 0.09 0.00 0.00 178.44 179.19 2k2e h LEU 57 N 0.58 0.79 -0.76 1.67 3.38 -0.38 -1.44 115.31 119.15 2k2e h LEU 57 Ca 0.08 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k2e h LEU 57 Cb 0.75 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2k2e h LEU 57 CO 0.06 0.89 0.47 1.56 0.09 0.00 0.00 178.44 181.52 2k2e h GLN 58 N 0.74 0.88 -0.51 1.13 4.20 -0.51 0.66 115.11 121.70 2k2e h GLN 58 Ca 0.13 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 2k2e h GLN 58 Cb 0.54 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2k2e h GLN 58 CO 0.03 0.58 -0.17 1.96 -0.67 0.00 0.00 178.83 180.56 2k2e h GLN 59 N 0.91 1.00 0.00 1.46 4.20 -1.05 -3.11 115.11 118.52 2k2e h GLN 59 Ca 0.32 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2k2e h GLN 59 Cb 0.07 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2k2e h GLN 59 CO -0.13 1.08 0.00 0.00 -0.67 0.00 0.00 178.83 179.11 2k2e h ALA 60 N 0.92 1.00 0.00 3.87 0.00 -0.82 -3.23 119.26 121.00 2k2e h ALA 60 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k2e h ALA 60 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k2e h ALA 60 CO 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.29 2k2e h ALA 61 N 2.20 1.01 -2.93 0.00 0.00 -0.80 -3.46 119.26 115.26 2k2e h ALA 61 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2k2e h ALA 61 Cb 0.88 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.72 2k2e h ALA 61 CO 0.00 0.02 -0.24 0.41 0.00 0.00 0.00 179.25 179.44 2k2e n GLY 62 N 0.02 0.31 0.17 0.00 0.00 -1.22 -4.67 105.19 99.78 2k2e n GLY 62 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2k2e n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k2e h LEU 63 N -0.76 0.00 -8.50 0.99 3.38 -1.84 -3.43 115.31 105.15 2k2e h LEU 63 Ca -0.19 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.07 2k2e h LEU 63 Cb 1.12 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.67 2k2e h LEU 63 CO 0.18 0.21 -0.34 0.00 0.09 0.00 0.00 178.44 178.57 2k2e s ALA 64 N -3.13 3.46 -0.55 1.53 0.00 -1.26 -4.93 121.76 116.88 2k2e s ALA 64 Ca 0.04 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 2k2e s ALA 64 Cb 0.07 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2k2e s ALA 64 CO 0.73 -1.52 1.05 -2.00 0.00 0.00 0.00 175.76 174.02 2k2e s GLU 65 N 1.85 3.44 -0.41 0.00 2.12 -1.26 -4.98 118.70 119.46 2k2e s GLU 65 Ca 0.08 0.03 -0.29 0.00 0.36 0.00 0.00 54.97 55.15 2k2e s GLU 65 Cb -0.19 -4.02 0.02 0.00 0.26 0.00 0.00 34.13 30.21 2k2e s GLU 65 CO 0.11 -1.54 1.09 0.08 -0.54 0.00 0.00 175.26 174.47 2k2e s VAL 66 N 4.38 4.35 0.33 3.70 1.01 -1.26 -5.03 120.40 127.89 2k2e s VAL 66 Ca 0.37 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 2k2e s VAL 66 Cb -0.10 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.84 2k2e s VAL 66 CO 0.23 -0.77 0.46 1.33 0.00 0.00 0.00 175.10 176.35 2k2e n VAL 67 N 6.40 0.00 1.12 2.92 0.24 -1.26 -5.01 118.33 122.75 2k2e n VAL 67 Ca 0.12 -0.59 0.12 0.00 -2.04 0.00 0.00 64.34 61.94 2k2e n VAL 67 Cb 0.48 -1.35 0.18 0.00 -1.47 0.00 0.00 33.84 31.68 2k2e n VAL 67 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2k2e n ARG 68 N -1.89 1.29 -1.97 7.34 0.63 -1.26 -5.03 116.66 115.78 2k2e n ARG 68 Ca 0.07 -0.97 -0.02 0.00 -0.92 0.00 0.00 57.85 56.01 2k2e n ARG 68 Cb 0.25 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.66 2k2e n ARG 68 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2k2e n ASP 69 N -0.01 -1.41 -4.85 6.15 2.03 -1.26 -5.04 116.55 112.16 2k2e n ASP 69 Ca 0.12 0.57 -0.36 0.00 0.52 0.00 0.00 54.79 55.64 2k2e n ASP 69 Cb 0.44 -2.82 -0.06 0.00 -0.72 0.00 0.00 41.12 37.97 2k2e n ASP 69 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2k2e s PRO 70 N -0.85 3.90 0.13 -0.67 0.04 -1.26 -5.00 135.00 131.29 2k2e s PRO 70 Ca -0.12 0.38 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 2k2e s PRO 70 Cb 0.01 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 2k2e s PRO 70 CO 0.34 0.56 1.32 -0.07 0.04 0.00 0.00 177.00 179.19 2k2e h LEU 71 N 3.90 0.62 -7.91 -3.56 -0.00 -2.07 -3.37 115.31 102.92 2k2e h LEU 71 Ca -0.49 -0.46 -0.70 0.00 -0.00 0.00 0.00 57.88 56.22 2k2e h LEU 71 Cb 1.20 -0.19 -0.18 0.00 -0.00 0.00 0.00 40.66 41.49 2k2e h LEU 71 CO 0.65 1.25 0.93 0.00 -0.00 0.00 0.00 178.44 181.27 2k2e s ALA 72 N -3.40 3.54 -0.24 1.53 0.00 -1.26 -4.99 121.76 116.94 2k2e s ALA 72 Ca -0.07 -2.92 -0.29 0.00 0.00 0.00 0.00 51.96 48.68 2k2e s ALA 72 Cb 0.09 -4.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.13 2k2e s ALA 72 CO 0.87 -2.91 1.62 -0.06 0.00 0.00 0.00 175.76 175.28 2k2e s PHE 73 N 2.35 2.10 0.19 0.00 0.08 -1.26 -4.99 117.98 116.44 2k2e s PHE 73 Ca 0.35 0.56 0.05 0.00 0.12 0.00 0.00 56.93 58.01 2k2e s PHE 73 Cb -0.04 -4.00 -0.04 0.00 -0.57 0.00 0.00 43.02 38.36 2k2e s PHE 73 CO -0.07 -2.88 0.21 -0.51 -0.10 0.00 0.00 175.22 171.86 2k2e s LEU 74 N 5.34 3.98 0.07 -0.37 1.43 -1.26 -5.02 118.68 122.85 2k2e s LEU 74 Ca 0.71 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.63 2k2e s LEU 74 Cb -0.24 -2.56 -0.25 0.00 0.03 0.00 0.00 46.19 43.17 2k2e s LEU 74 CO 0.30 0.03 1.15 -2.24 0.23 0.00 0.00 176.35 175.81 2k2e h ASP 75 N 2.01 0.77 -4.04 2.29 2.03 -2.07 -3.50 116.42 113.90 2k2e h ASP 75 Ca -0.48 -0.70 0.00 0.00 -0.73 0.00 0.00 57.03 55.12 2k2e h ASP 75 Cb 1.21 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 2k2e h ASP 75 CO 0.64 1.51 -0.66 1.21 -1.03 0.00 0.00 179.24 180.90 2k2e n GLU 76 N -3.76 -3.75 -1.68 4.15 4.07 -1.26 -4.84 120.64 113.57 2k2e n GLU 76 Ca -0.12 2.83 -0.48 0.00 -0.06 0.00 0.00 57.16 59.34 2k2e n GLU 76 Cb 0.96 -3.08 -0.05 0.00 -0.06 0.00 0.00 31.44 29.21 2k2e n GLU 76 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2k2e n PRO 77 N 1.29 2.16 -2.54 5.31 -0.04 -1.26 -4.89 135.00 135.03 2k2e n PRO 77 Ca 0.00 0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 63.84 2k2e n PRO 77 Cb 0.00 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 30.81 2k2e n PRO 77 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k2e s GLU 78 N 3.58 3.36 0.50 0.54 2.02 -1.26 -4.99 118.70 122.45 2k2e s GLU 78 Ca 0.91 0.09 -0.19 0.00 0.02 0.00 0.00 54.97 55.80 2k2e s GLU 78 Cb -0.69 -4.09 -0.08 0.00 0.10 0.00 0.00 34.13 29.36 2k2e s GLU 78 CO 0.50 -1.90 1.00 0.00 0.02 0.00 0.00 175.26 174.88 2k2e s ALA 79 N 5.44 2.94 -1.33 5.21 0.00 -1.26 -4.94 121.76 127.81 2k2e s ALA 79 Ca 0.41 0.40 0.22 0.00 0.00 0.00 0.00 51.96 52.99 2k2e s ALA 79 Cb -0.08 -3.19 1.06 0.00 0.00 0.00 0.00 23.12 20.91 2k2e s ALA 79 CO 0.21 -0.27 1.70 0.41 0.00 0.00 0.00 175.76 177.81 2k2e n GLY 80 N -0.85 -1.06 0.20 0.00 0.00 -1.26 -2.63 105.19 99.59 2k2e n GLY 80 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.06 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e h ALA 81 N 2.96 1.13 0.00 4.61 0.00 -2.01 -3.46 119.26 122.49 2k2e h ALA 81 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k2e h ALA 81 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k2e h ALA 81 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2k2e n GLY 82 N -0.07 1.45 5.00 0.00 0.00 -1.08 -4.75 105.19 105.74 2k2e n GLY 82 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 83 N 0.00 0.00 -3.82 4.61 0.00 -1.26 -4.52 120.51 115.52 2k2e n ALA 83 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2k2e n ALA 83 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2k2e n ALA 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k2e s ARG 84 N 0.00 1.05 -0.19 0.00 1.70 -1.26 -5.12 118.95 115.12 2k2e s ARG 84 Ca 0.00 -0.84 -0.23 0.00 -0.47 0.00 0.00 55.73 54.19 2k2e s ARG 84 Cb 0.00 -2.30 -0.02 0.00 -0.57 0.00 0.00 34.95 32.06 2k2e s ARG 84 CO 0.00 -0.72 0.72 -1.25 -1.08 0.00 0.00 175.30 172.96 2k2e s PRO 85 N 1.60 4.23 -0.24 3.89 0.05 -1.26 -4.62 135.00 138.64 2k2e s PRO 85 Ca 0.00 0.78 -0.03 0.00 0.05 0.00 0.00 61.00 61.80 2k2e s PRO 85 Cb -0.18 -3.59 0.01 0.00 0.05 0.00 0.00 34.50 30.80 2k2e s PRO 85 CO -0.11 -0.30 0.06 0.00 0.05 0.00 0.00 177.00 176.69 2k2e n ALA 86 N 5.23 -3.50 -0.11 8.56 0.00 -1.26 -4.91 120.51 124.53 2k2e n ALA 86 Ca 0.01 0.93 -0.04 0.00 0.00 0.00 0.00 53.44 54.35 2k2e n ALA 86 Cb 0.49 -1.83 0.17 0.00 0.00 0.00 0.00 19.45 18.28 2k2e n ALA 86 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k2e h ASN 87 N 2.96 0.75 -2.78 0.00 4.21 -1.99 -3.42 115.58 115.31 2k2e h ASN 87 Ca -0.14 -0.17 -0.54 0.00 1.21 0.00 0.00 56.30 56.66 2k2e h ASN 87 Cb 0.32 -0.20 0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2k2e h ASN 87 CO 0.07 0.80 0.93 0.00 -1.29 0.00 0.00 177.43 177.94 2k2e s ALA 88 N -5.01 3.64 0.68 -0.83 0.00 -1.26 -4.94 121.76 114.04 2k2e s ALA 88 Ca -0.09 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 2k2e s ALA 88 Cb 0.15 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2k2e s ALA 88 CO 0.81 -1.02 1.14 -1.25 0.00 0.00 0.00 175.76 175.44 2k2e s PRO 89 N 2.51 2.60 0.05 0.00 0.04 -1.26 -4.97 135.00 133.96 2k2e s PRO 89 Ca 0.70 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 2k2e s PRO 89 Cb -0.36 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.06 2k2e s PRO 89 CO 0.30 -1.43 1.20 1.49 0.04 0.00 0.00 177.00 178.59 2k2e h GLU 90 N -0.01 0.56 -4.38 4.56 4.81 -1.10 -3.40 114.58 115.62 2k2e h GLU 90 Ca -0.47 -0.51 -0.34 0.00 -0.13 0.00 0.00 59.36 57.90 2k2e h GLU 90 Cb 1.26 0.12 -0.29 0.00 0.63 0.00 0.00 28.75 30.48 2k2e h GLU 90 CO 0.53 1.14 -0.76 0.54 -0.73 0.00 0.00 179.01 179.73 2k2e s VAL 91 N -3.50 0.48 -0.17 0.32 0.11 -1.09 -0.73 120.40 115.81 2k2e s VAL 91 Ca -0.12 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 2k2e s VAL 91 Cb 0.06 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2k2e s VAL 91 CO 0.85 0.14 -0.17 -0.22 -3.33 0.00 0.00 175.10 172.37 2k2e s LEU 92 N -0.09 2.30 -0.24 2.54 2.96 0.72 -1.87 118.68 124.99 2k2e s LEU 92 Ca 0.02 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2k2e s LEU 92 Cb -0.03 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2k2e s LEU 92 CO -0.00 0.04 0.10 -0.76 -1.32 0.00 0.00 176.35 174.40 2k2e s LEU 93 N 1.09 3.64 -0.31 -0.68 1.43 0.59 -0.24 118.68 124.19 2k2e s LEU 93 Ca -0.00 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 2k2e s LEU 93 Cb -0.14 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.12 2k2e s LEU 93 CO -0.06 -0.00 0.09 -0.69 0.23 0.00 0.00 176.35 175.92 2k2e s VAL 94 N 1.44 3.96 -1.00 -1.59 1.01 -0.54 0.07 120.40 123.75 2k2e s VAL 94 Ca 0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2k2e s VAL 94 Cb -0.15 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2k2e s VAL 94 CO 0.05 -0.00 1.59 -0.83 0.00 0.00 0.00 175.10 175.90 2k2e s GLY 95 N 1.48 0.98 -0.43 4.51 0.00 1.00 -1.71 107.32 113.14 2k2e s GLY 95 Ca 0.02 -2.07 0.04 0.00 0.00 0.00 0.00 44.72 42.71 2k2e s GLY 95 CO 0.03 2.90 1.78 -1.30 0.00 0.00 0.00 173.10 176.51 2k2e n THR 96 N 7.15 3.06 0.44 0.90 -2.24 0.12 -3.25 114.28 120.45 2k2e n THR 96 Ca 0.35 -2.42 0.12 0.00 -2.27 0.00 0.00 64.05 59.84 2k2e n THR 96 Cb 0.50 -0.56 0.48 0.00 -2.10 0.00 0.00 70.33 68.65 2k2e n THR 96 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2k2e h GLY 97 N 1.20 0.00 1.69 3.38 0.00 -1.82 -1.11 103.07 106.41 2k2e h GLY 97 Ca 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 2k2e h GLY 97 CO 0.97 0.00 -0.49 -0.09 0.00 0.00 0.00 176.54 176.93 2k2e h ARG 98 N 0.00 0.00 -0.56 4.80 2.43 -1.86 -3.43 114.38 115.76 2k2e h ARG 98 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2k2e h ARG 98 Cb 0.47 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.83 2k2e h ARG 98 CO 0.00 0.17 -0.25 0.50 -1.51 0.00 0.00 179.97 178.87 2k2e s ARG 99 N -3.14 0.45 -0.37 0.20 6.06 -0.84 -5.05 118.95 116.25 2k2e s ARG 99 Ca 0.04 -0.10 -0.29 0.00 -2.50 0.00 0.00 55.73 52.87 2k2e s ARG 99 Cb 0.07 0.06 -0.08 0.00 0.06 0.00 0.00 34.95 35.07 2k2e s ARG 99 CO 0.73 -0.66 2.30 1.04 -2.50 0.00 0.00 175.30 176.21 2k2e n GLN 100 N 4.13 1.39 -3.84 5.12 6.02 -0.48 -4.79 117.38 124.93 2k2e n GLN 100 Ca 0.08 0.29 -0.35 0.00 -0.01 0.00 0.00 57.00 57.01 2k2e n GLN 100 Cb 0.60 -3.05 -0.12 0.00 1.02 0.00 0.00 30.24 28.69 2k2e n GLN 100 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2k2e s HIS 101 N 9.36 3.63 -0.19 1.08 2.46 -1.26 -5.06 115.29 125.32 2k2e s HIS 101 Ca 1.04 -2.59 -0.28 0.00 0.47 0.00 0.00 55.06 53.69 2k2e s HIS 101 Cb -0.45 -3.14 -0.05 0.00 -0.13 0.00 0.00 32.58 28.81 2k2e s HIS 101 CO 0.36 -0.96 2.15 -0.51 -2.47 0.00 0.00 174.74 173.31 2k2e s LEU 102 N 1.04 3.61 0.19 8.88 1.43 -1.26 -4.93 118.68 127.63 2k2e s LEU 102 Ca 0.09 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 2k2e s LEU 102 Cb -0.22 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 2k2e s LEU 102 CO -0.05 -1.80 1.37 -0.76 0.23 0.00 0.00 176.35 175.34 2k2e s LEU 103 N 7.60 4.40 0.51 1.79 1.43 -1.26 -5.02 118.68 128.13 2k2e s LEU 103 Ca 0.97 2.44 0.07 0.00 -1.03 0.00 0.00 54.13 56.59 2k2e s LEU 103 Cb -0.34 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.31 2k2e s LEU 103 CO 0.36 -0.61 0.50 -0.83 0.23 0.00 0.00 176.35 176.00 2k2e s GLY 104 N 0.57 2.14 0.18 -3.19 0.00 -1.26 -4.95 107.32 100.80 2k2e s GLY 104 Ca 0.60 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.52 2k2e s GLY 104 CO 0.37 -1.80 1.74 -0.56 0.00 0.00 0.00 173.10 172.85 2k2e h PRO 105 N 0.68 0.29 0.00 2.90 0.13 -1.97 -1.69 132.00 132.34 2k2e h PRO 105 Ca -0.36 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2k2e h PRO 105 Cb 1.29 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k2e h PRO 105 CO 0.53 0.19 -0.29 0.93 -0.23 0.00 0.00 178.00 179.13 2k2e h GLU 106 N 0.29 0.00 0.13 0.86 5.08 -1.98 0.50 114.58 119.45 2k2e h GLU 106 Ca 0.22 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.31 2k2e h GLU 106 Cb 0.25 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k2e h GLU 106 CO -0.25 0.29 -1.16 1.96 -1.00 0.00 0.00 179.01 178.85 2k2e h GLN 107 N 0.00 0.56 -0.31 2.33 4.20 -1.72 -3.29 115.11 116.88 2k2e h GLN 107 Ca -0.00 -0.78 0.00 0.00 0.06 0.00 0.00 58.65 57.93 2k2e h GLN 107 Cb 0.76 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2k2e h GLN 107 CO 0.04 1.35 0.00 1.33 -0.67 0.00 0.00 178.83 180.88 2k2e n VAL 108 N -3.87 0.42 -0.11 -0.54 0.24 -0.88 -4.07 118.33 109.52 2k2e n VAL 108 Ca -0.14 -0.71 -0.05 0.00 -2.04 0.00 0.00 64.34 61.40 2k2e n VAL 108 Cb 0.95 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 34.40 2k2e n VAL 108 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2k2e h ARG 109 N 4.29 0.10 -0.80 7.34 2.43 -0.97 0.13 114.38 126.90 2k2e h ARG 109 Ca 0.00 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.33 2k2e h ARG 109 Cb 0.95 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 2k2e h ARG 109 CO 0.00 0.07 0.54 -1.35 -1.51 0.00 0.00 179.97 177.72 2k2e h PRO 110 N 0.11 0.38 0.08 0.20 0.11 -1.82 -0.06 132.00 131.00 2k2e h PRO 110 Ca 0.18 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.96 2k2e h PRO 110 Cb 0.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 2k2e h PRO 110 CO -0.29 0.25 -1.61 -0.07 -0.21 0.00 0.00 178.00 176.07 2k2e h LEU 111 N 0.39 0.25 -1.26 2.35 3.38 -1.60 -3.27 115.31 115.55 2k2e h LEU 111 Ca 0.40 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2k2e h LEU 111 Cb 0.98 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2k2e h LEU 111 CO -0.13 1.35 0.00 -0.07 0.09 0.00 0.00 178.44 179.68 2k2e h LEU 112 N 0.04 0.47 -0.50 1.67 3.38 -0.08 0.19 115.31 120.49 2k2e h LEU 112 Ca -0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2k2e h LEU 112 Cb 2.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2k2e h LEU 112 CO 0.12 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2k2e n ALA 113 N -2.48 1.62 -0.06 1.53 0.00 -0.10 -2.09 120.51 118.93 2k2e n ALA 113 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k2e n ALA 113 Cb 0.24 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.20 2k2e n ALA 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k2e n MET 114 N -1.99 0.74 0.00 0.00 2.81 -0.42 -5.00 117.12 113.26 2k2e n MET 114 Ca 0.02 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2k2e n MET 114 Cb 0.20 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2k2e n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k2e n GLY 115 N 1.57 1.33 3.59 3.03 0.00 -0.30 -5.09 105.19 109.32 2k2e n GLY 115 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2k2e n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2e s VAL 116 N -2.00 5.12 -0.43 1.61 1.01 -0.10 -4.77 120.40 120.84 2k2e s VAL 116 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 2k2e s VAL 116 Cb 0.00 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2k2e s VAL 116 CO 0.00 0.02 0.83 -0.83 0.00 0.00 0.00 175.10 175.12 2k2e s GLY 117 N 1.66 1.57 -0.29 4.51 0.00 0.09 -3.94 107.32 110.93 2k2e s GLY 117 Ca 0.17 -0.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.91 2k2e s GLY 117 CO 0.11 1.87 0.34 0.14 0.00 0.00 0.00 173.10 175.55 2k2e s VAL 118 N 3.40 5.20 -0.25 1.40 1.01 -1.26 -0.20 120.40 129.69 2k2e s VAL 118 Ca 0.33 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2k2e s VAL 118 Cb -0.12 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2k2e s VAL 118 CO 0.22 0.12 0.04 -1.61 0.00 0.00 0.00 175.10 173.87 2k2e s GLU 119 N 2.01 3.43 -0.53 2.72 0.41 0.67 -4.95 118.70 122.45 2k2e s GLU 119 Ca 0.13 -0.62 -0.25 0.00 -0.41 0.00 0.00 54.97 53.82 2k2e s GLU 119 Cb -0.16 -3.24 0.04 0.00 -1.78 0.00 0.00 34.13 28.98 2k2e s GLU 119 CO 0.11 -0.26 0.95 0.00 -0.49 0.00 0.00 175.26 175.57 2k2e s ALA 120 N 1.54 3.17 0.17 5.21 0.00 -1.26 -1.47 121.76 129.12 2k2e s ALA 120 Ca 0.05 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2k2e s ALA 120 Cb -0.15 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 2k2e s ALA 120 CO 0.01 -2.32 -0.01 1.41 0.00 0.00 0.00 175.76 174.85 2k2e s MET 121 N 3.97 1.09 0.63 0.00 1.75 -0.70 -4.96 119.30 121.08 2k2e s MET 121 Ca 0.33 -1.52 -0.18 0.00 -1.25 0.00 0.00 55.69 53.07 2k2e s MET 121 Cb -0.12 -0.31 -0.02 0.00 2.84 0.00 0.00 34.83 37.23 2k2e s MET 121 CO 0.21 -0.10 1.23 -0.25 -0.65 0.00 0.00 175.02 175.47 2k2e n ASP 122 N -0.23 1.86 -0.09 1.11 8.00 -1.26 0.11 116.55 126.06 2k2e n ASP 122 Ca -0.07 0.84 -0.09 0.00 0.71 0.00 0.00 54.79 56.17 2k2e n ASP 122 Cb 0.63 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.18 2k2e n ASP 122 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2k2e h THR 123 N 0.59 1.08 -0.36 -3.53 2.02 -1.86 0.40 112.91 111.25 2k2e h THR 123 Ca -0.50 -0.17 -0.15 0.00 0.77 0.00 0.00 66.41 66.36 2k2e h THR 123 Cb 1.34 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2k2e h THR 123 CO 0.53 0.08 -0.38 -0.61 0.37 0.00 0.00 175.52 175.51 2k2e h GLN 124 N 0.40 0.89 -0.68 6.66 4.15 -1.95 -2.46 115.11 122.12 2k2e h GLN 124 Ca 0.11 -0.48 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 2k2e h GLN 124 Cb -0.03 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2k2e h GLN 124 CO -0.02 1.13 0.15 0.00 -1.93 0.00 0.00 178.83 178.15 2k2e h ALA 125 N 0.75 0.89 -0.48 3.38 0.00 -1.82 -1.99 119.26 120.00 2k2e h ALA 125 Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k2e h ALA 125 Cb 0.97 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k2e h ALA 125 CO 0.09 0.63 0.08 0.00 0.00 0.00 0.00 179.25 180.05 2k2e h ALA 126 N 1.07 1.23 -0.32 0.00 0.00 -0.18 -0.77 119.26 120.29 2k2e h ALA 126 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k2e h ALA 126 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k2e h ALA 126 CO 0.01 0.52 0.12 0.00 0.00 0.00 0.00 179.25 179.90 2k2e h ALA 127 N 1.37 0.42 -0.67 0.00 0.00 -0.96 0.32 119.26 119.74 2k2e h ALA 127 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k2e h ALA 127 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2k2e h ALA 127 CO 0.00 0.02 0.21 -0.09 0.00 0.00 0.00 179.25 179.40 2k2e h ARG 128 N 0.37 1.04 -0.49 0.00 2.43 -1.10 -0.15 114.38 116.48 2k2e h ARG 128 Ca 0.11 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2k2e h ARG 128 Cb 0.20 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2k2e h ARG 128 CO -0.01 0.90 0.18 1.15 -1.51 0.00 0.00 179.97 180.69 2k2e h THR 129 N 0.97 1.22 -0.85 0.20 2.02 -0.90 -1.89 112.91 113.68 2k2e h THR 129 Ca 0.22 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.77 2k2e h THR 129 Cb 0.30 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 2k2e h THR 129 CO -0.01 0.26 0.52 0.22 0.37 0.00 0.00 175.52 176.88 2k2e h TYR 130 N 0.65 0.97 -0.34 3.16 3.20 -0.01 0.13 116.97 124.72 2k2e h TYR 130 Ca 0.16 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2k2e h TYR 130 Cb 0.22 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2k2e h TYR 130 CO 0.01 0.49 0.18 -0.97 -1.64 0.00 0.00 178.16 176.22 2k2e h ASN 131 N 0.95 0.26 -0.28 -2.11 -0.73 -0.57 0.13 115.58 113.24 2k2e h ASN 131 Ca 0.37 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.51 2k2e h ASN 131 Cb 0.18 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2k2e h ASN 131 CO -0.17 0.20 0.01 0.40 -0.37 0.00 0.00 177.43 177.49 2k2e h ILE 132 N 0.36 1.25 -0.34 2.57 2.04 -0.66 -1.68 117.51 121.05 2k2e h ILE 132 Ca 0.14 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 2k2e h ILE 132 Cb 0.05 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2k2e h ILE 132 CO -0.09 0.29 -0.02 -0.07 0.00 0.00 0.00 178.15 178.26 2k2e h LEU 133 N 0.27 0.50 -0.94 1.44 3.38 -0.55 -0.77 115.31 118.63 2k2e h LEU 133 Ca 0.08 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2k2e h LEU 133 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k2e h LEU 133 CO 0.01 0.58 -0.28 -0.03 0.09 0.00 0.00 178.44 178.82 2k2e h MET 134 N 0.51 0.44 -0.35 1.13 4.05 -0.58 -0.06 114.93 120.07 2k2e h MET 134 Ca 0.11 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.22 2k2e h MET 134 Cb 0.35 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2k2e h MET 134 CO 0.01 0.68 -0.31 0.00 0.23 0.00 0.00 176.91 177.53 2k2e h ALA 135 N 1.32 0.79 0.00 0.39 0.00 -0.29 -2.47 119.26 119.00 2k2e h ALA 135 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2k2e h ALA 135 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k2e h ALA 135 CO 0.05 0.65 -0.19 0.93 0.00 0.00 0.00 179.25 180.69 2k2e h GLU 136 N 0.65 0.00 -0.10 0.00 5.08 -0.95 -3.47 114.58 115.79 2k2e h GLU 136 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2k2e h GLU 136 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2k2e h GLU 136 CO 0.07 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 2k2e n GLY 137 N 0.23 0.98 3.85 -3.84 0.00 -0.46 -5.07 105.19 100.88 2k2e n GLY 137 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2k2e n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2e s ARG 138 N -2.91 3.97 -0.90 1.61 0.52 -0.16 -4.99 118.95 116.08 2k2e s ARG 138 Ca 0.00 0.76 -0.23 0.00 -0.52 0.00 0.00 55.73 55.75 2k2e s ARG 138 Cb 0.00 -2.30 0.07 0.00 0.52 0.00 0.00 34.95 33.24 2k2e s ARG 138 CO 0.00 -0.04 1.29 1.03 0.02 0.00 0.00 175.30 177.60 2k2e s ARG 139 N -3.53 3.46 -0.05 3.54 0.52 -1.26 -4.69 118.95 116.93 2k2e s ARG 139 Ca 0.56 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2k2e s ARG 139 Cb -0.10 -4.91 -0.00 0.00 0.52 0.00 0.00 34.95 30.46 2k2e s ARG 139 CO 0.24 -2.05 -0.17 0.54 0.02 0.00 0.00 175.30 173.88 2k2e s VAL 140 N 4.47 1.45 -0.11 3.52 0.11 -1.26 -0.51 120.40 128.07 2k2e s VAL 140 Ca 0.38 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2k2e s VAL 140 Cb -0.05 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2k2e s VAL 140 CO -0.03 0.42 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.38 2k2e s VAL 141 N 0.17 3.42 -0.12 2.04 1.01 -0.78 -4.10 120.40 122.04 2k2e s VAL 141 Ca -0.07 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2k2e s VAL 141 Cb -0.13 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2k2e s VAL 141 CO 0.03 0.54 -0.18 0.54 0.00 0.00 0.00 175.10 176.03 2k2e s VAL 142 N -0.02 2.62 -0.34 2.92 0.11 0.18 -0.30 120.40 125.57 2k2e s VAL 142 Ca -0.02 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 2k2e s VAL 142 Cb -0.14 -2.06 0.04 0.00 -1.53 0.00 0.00 36.38 32.69 2k2e s VAL 142 CO 0.03 0.54 0.11 0.00 -3.33 0.00 0.00 175.10 172.45 2k2e s ALA 143 N 0.33 3.04 -0.20 1.54 0.00 0.11 -1.14 121.76 125.44 2k2e s ALA 143 Ca -0.14 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 2k2e s ALA 143 Cb -0.17 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2k2e s ALA 143 CO 0.07 -1.36 0.12 -0.51 0.00 0.00 0.00 175.76 174.08 2k2e s LEU 144 N 1.38 4.14 -0.29 0.00 1.43 0.32 -0.00 118.68 125.66 2k2e s LEU 144 Ca -0.02 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 2k2e s LEU 144 Cb -0.20 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 2k2e s LEU 144 CO 0.02 0.18 0.15 -0.76 0.23 0.00 0.00 176.35 176.17 2k2e s LEU 145 N 0.38 3.98 0.00 1.79 1.43 -1.20 -2.28 118.68 122.77 2k2e s LEU 145 Ca 0.07 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2k2e s LEU 145 Cb -0.11 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2k2e s LEU 145 CO -0.01 -0.14 0.00 -0.81 0.23 0.00 0.00 176.35 175.62 2k2e n PRO 146 N 4.99 1.88 -0.51 1.29 -0.04 -1.26 -4.78 135.00 136.57 2k2e n PRO 146 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2k2e n PRO 146 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2k2e n PRO 146 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2e n ASP 147 N 0.00 1.34 0.00 3.54 -0.08 -1.10 -4.95 116.55 115.30 2k2e n ASP 147 Ca 0.00 -0.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.97 2k2e n ASP 147 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2e n GLY 148 N 5.00 0.00 0.68 0.27 0.00 -1.26 -4.85 105.19 105.03 2k2e n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k2e n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2e n ASP 149 N 0.00 1.36 -0.01 1.61 8.00 -1.26 -4.71 116.55 121.54 2k2e n ASP 149 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2k2e n ASP 149 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2k2e n ASP 149 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k2e h SER 150 N 0.00 0.65 -0.88 -2.24 0.02 -2.00 -3.33 113.55 105.77 2k2e h SER 150 Ca 0.00 -0.33 -0.62 0.00 -0.84 0.00 0.00 61.79 60.00 2k2e h SER 150 Cb 0.93 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.20 2k2e h SER 150 CO 0.00 1.04 1.91 -0.22 -1.14 0.00 0.00 176.83 178.42 2k2e s LEU 151 N -8.43 3.68 -0.06 5.07 2.96 -1.26 -4.96 118.68 115.68 2k2e s LEU 151 Ca -0.08 -2.11 -0.14 0.00 -0.22 0.00 0.00 54.13 51.58 2k2e s LEU 151 Cb 0.11 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 2k2e s LEU 151 CO 0.84 -1.45 0.37 -0.70 -1.32 0.00 0.00 176.35 174.09 2k2e s GLU 152 N 4.67 3.98 -0.53 1.98 2.12 -1.25 -4.69 118.70 124.97 2k2e s GLU 152 Ca 0.54 0.31 -0.15 0.00 0.36 0.00 0.00 54.97 56.02 2k2e s GLU 152 Cb 0.02 -3.28 0.12 0.00 0.26 0.00 0.00 34.13 31.26 2k2e s GLU 152 CO 0.04 0.55 0.47 -1.01 -0.54 0.00 0.00 175.26 174.78 2k2e s HIS 153 N -0.59 3.26 0.38 5.30 3.76 -1.26 -5.06 115.29 121.09 2k2e s HIS 153 Ca 0.22 -1.30 -0.27 0.00 -0.15 0.00 0.00 55.06 53.56 2k2e s HIS 153 Cb -0.15 -3.70 -0.09 0.00 1.11 0.00 0.00 32.58 29.74 2k2e s HIS 153 CO 0.10 -0.99 1.26 -1.01 -0.85 0.00 0.00 174.74 173.25 2k2e s HIS 154 N 1.58 2.96 -1.79 1.40 3.76 -1.26 -4.88 115.29 117.07 2k2e s HIS 154 Ca 0.03 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 2k2e s HIS 154 Cb -0.29 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.81 2k2e s HIS 154 CO 0.03 -1.79 0.70 0.72 -0.85 0.00 0.00 174.74 173.55 2k2e n HIS 155 N 0.30 0.00 1.32 1.40 8.25 -1.26 0.08 115.22 125.31 2k2e n HIS 155 Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.62 2k2e n HIS 155 Cb 0.44 -0.02 0.44 0.00 1.12 0.00 0.00 29.99 31.97 2k2e n HIS 155 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k2e n HIS 156 N -0.37 0.00 -3.20 4.41 8.25 -1.26 -4.90 115.22 118.15 2k2e n HIS 156 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k2e n HIS 156 Cb 0.04 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2k2e n HIS 156 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k2e n HIS 157 N -0.51 -0.01 1.81 4.41 -0.00 0.11 -5.27 115.22 115.76 2k2e n HIS 157 Ca 0.14 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 58.01 2k2e n HIS 157 Cb 0.34 0.00 0.79 0.00 -0.00 0.00 0.00 29.99 31.12 2k2e n HIS 157 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92