#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e h LYS 2 N 0.00 0.41 -6.27 0.03 1.63 -2.07 -3.37 116.57 106.93 2k2e h LYS 2 Ca 0.00 -0.14 -0.56 0.00 -0.85 0.00 0.00 60.65 59.11 2k2e h LYS 2 Cb 0.00 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2k2e h LYS 2 CO 0.00 0.61 0.60 -1.17 -3.45 0.00 0.00 179.45 176.03 2k2e s LEU 3 N -9.46 4.25 0.10 5.20 2.96 -1.26 -4.97 118.68 115.51 2k2e s LEU 3 Ca -0.14 1.59 -0.26 0.00 -0.22 0.00 0.00 54.13 55.10 2k2e s LEU 3 Cb 0.07 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.10 2k2e s LEU 3 CO 0.74 -0.48 1.66 -0.74 -1.32 0.00 0.00 176.35 176.22 2k2e h HIS 4 N 7.17 -0.51 -3.47 5.38 -0.00 -2.08 -3.37 115.15 118.27 2k2e h HIS 4 Ca -0.31 0.01 -0.61 0.00 -0.00 0.00 0.00 60.37 59.45 2k2e h HIS 4 Cb 1.15 0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 28.66 2k2e h HIS 4 CO 0.72 -0.28 0.34 0.99 -0.00 0.00 0.00 177.93 179.69 2k2e s THR 5 N -6.11 4.82 -0.67 6.26 2.01 -1.26 -4.53 115.64 116.16 2k2e s THR 5 Ca -0.15 1.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.67 2k2e s THR 5 Cb 0.07 -4.12 0.04 0.00 0.01 0.00 0.00 72.50 68.50 2k2e s THR 5 CO 0.65 -0.25 1.13 -1.81 -0.69 0.00 0.00 174.62 173.65 2k2e s ASP 6 N 1.65 6.22 0.27 3.53 1.11 -1.26 -4.82 116.67 123.36 2k2e s ASP 6 Ca 0.31 -0.56 0.00 0.00 0.18 0.00 0.00 52.55 52.48 2k2e s ASP 6 Cb -0.14 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2k2e s ASP 6 CO 0.13 -1.60 0.46 -2.16 1.18 0.00 0.00 175.17 173.18 2k2e s PRO 7 N 4.89 3.51 -0.52 8.23 0.04 -1.26 -5.06 135.00 144.82 2k2e s PRO 7 Ca 0.31 -0.36 -0.18 0.00 0.04 0.00 0.00 61.00 60.81 2k2e s PRO 7 Cb -0.11 -2.76 0.08 0.00 0.04 0.00 0.00 34.50 31.74 2k2e s PRO 7 CO 0.15 0.30 0.59 0.00 0.04 0.00 0.00 177.00 178.08 2k2e s ALA 8 N -2.06 3.44 -0.84 8.56 0.00 -1.26 -4.91 121.76 124.69 2k2e s ALA 8 Ca 0.39 -1.97 0.16 0.00 0.00 0.00 0.00 51.96 50.54 2k2e s ALA 8 Cb -0.10 -3.33 0.70 0.00 0.00 0.00 0.00 23.12 20.39 2k2e s ALA 8 CO 0.32 -2.03 1.51 2.41 0.00 0.00 0.00 175.76 177.97 2k2e n THR 9 N 5.50 1.01 0.66 0.00 -1.04 -1.26 -1.31 114.28 117.84 2k2e n THR 9 Ca -0.09 0.27 0.12 0.00 -2.04 0.00 0.00 64.05 62.31 2k2e n THR 9 Cb 0.44 -1.09 0.46 0.00 -1.82 0.00 0.00 70.33 68.33 2k2e n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k2e n ALA 10 N -1.58 2.01 -3.48 2.41 0.00 -1.26 -4.36 120.51 114.25 2k2e n ALA 10 Ca 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k2e n ALA 10 Cb 0.17 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.69 6.05 -0.04 0.00 1.43 -0.42 -4.55 118.68 117.46 2k2e s LEU 11 Ca 0.09 -2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 50.43 2k2e s LEU 11 Cb 0.13 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2k2e s LEU 11 CO 0.45 -0.58 1.23 0.21 0.23 0.00 0.00 176.35 177.90 2k2e s ASN 12 N 2.04 7.02 -0.15 2.29 2.47 -1.21 -4.94 114.94 122.46 2k2e s ASN 12 Ca 0.13 1.88 -0.19 0.00 0.42 0.00 0.00 52.86 55.10 2k2e s ASN 12 Cb -0.19 -2.56 0.05 0.00 -1.45 0.00 0.00 41.25 37.10 2k2e s ASN 12 CO -0.04 -0.60 0.51 -0.89 -3.72 0.00 0.00 177.10 172.36 2k2e s THR 13 N 2.15 0.01 -0.26 -5.21 2.01 -1.26 -4.77 115.64 108.32 2k2e s THR 13 Ca 0.57 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 2k2e s THR 13 Cb -0.26 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2k2e s THR 13 CO 0.23 -0.04 1.75 -0.69 -0.69 0.00 0.00 174.62 175.18 2k2e s VAL 14 N -0.15 3.53 0.20 3.82 1.01 -1.26 -3.69 120.40 123.85 2k2e s VAL 14 Ca -0.03 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.55 2k2e s VAL 14 Cb -0.03 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2k2e s VAL 14 CO 0.02 -0.32 1.46 0.71 0.00 0.00 0.00 175.10 176.97 2k2e h THR 15 N 6.49 1.45 -2.99 3.92 1.35 -1.50 -3.39 112.91 118.24 2k2e h THR 15 Ca -0.35 -2.33 -0.60 0.00 -0.55 0.00 0.00 66.41 62.58 2k2e h THR 15 Cb 1.17 2.26 -0.40 0.00 -1.73 0.00 0.00 68.15 69.45 2k2e h THR 15 CO 1.01 0.68 -0.75 0.00 -0.25 0.00 0.00 175.52 176.21 2k2e s ALA 16 N -3.45 1.89 -1.81 6.62 0.00 -1.23 -4.89 121.76 118.90 2k2e s ALA 16 Ca -0.03 -2.32 0.18 0.00 0.00 0.00 0.00 51.96 49.78 2k2e s ALA 16 Cb 0.11 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.47 2k2e s ALA 16 CO 0.81 -1.98 0.96 0.98 0.00 0.00 0.00 175.76 176.53 2k2e n TYR 17 N 3.88 0.00 0.19 0.00 9.36 -1.26 -2.84 117.16 126.49 2k2e n TYR 17 Ca 0.07 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.36 2k2e n TYR 17 Cb 0.36 0.00 0.24 0.00 -0.63 0.00 0.00 39.34 39.31 2k2e n TYR 17 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2k2e h GLY 18 N 3.70 0.00 -0.49 2.98 0.00 -1.90 -3.46 103.07 103.90 2k2e h GLY 18 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2k2e h GLY 18 CO 0.00 0.00 0.22 1.22 0.00 0.00 0.00 176.54 177.98 2k2e n ASP 19 N -3.27 -0.11 -0.90 0.19 9.92 -1.26 -4.95 116.55 116.17 2k2e n ASP 19 Ca 0.02 -1.23 0.05 0.00 -0.53 0.00 0.00 54.79 53.09 2k2e n ASP 19 Cb 0.57 -0.58 0.17 0.00 -0.64 0.00 0.00 41.12 40.65 2k2e n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2e n GLY 20 N -0.12 1.39 3.50 0.44 0.00 -1.26 -4.88 105.19 104.26 2k2e n GLY 20 Ca 0.09 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.68 0.73 -0.40 1.61 -0.85 -1.26 -4.78 117.35 110.72 2k2e s TYR 21 Ca 0.25 -1.03 -0.11 0.00 -0.52 0.00 0.00 57.07 55.66 2k2e s TYR 21 Cb 0.16 0.00 0.05 0.00 0.38 0.00 0.00 41.96 42.55 2k2e s TYR 21 CO 0.12 -1.01 0.24 0.42 -1.52 0.00 0.00 175.55 173.80 2k2e s ILE 22 N -3.64 4.52 -0.39 -3.49 1.01 -1.04 -4.60 121.20 113.58 2k2e s ILE 22 Ca 0.28 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 2k2e s ILE 22 Cb 0.00 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2k2e s ILE 22 CO 0.14 -0.35 0.55 -0.70 0.00 0.00 0.00 174.94 174.58 2k2e s GLU 23 N 1.52 3.42 -0.67 2.79 2.12 -1.13 -0.22 118.70 126.53 2k2e s GLU 23 Ca 0.02 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 54.87 2k2e s GLU 23 Cb -0.21 -3.88 0.16 0.00 0.26 0.00 0.00 34.13 30.46 2k2e s GLU 23 CO 0.05 -0.80 0.67 0.08 -0.54 0.00 0.00 175.26 174.72 2k2e s VAL 24 N 2.50 5.25 0.00 3.70 1.01 0.12 -1.25 120.40 131.73 2k2e s VAL 24 Ca 0.19 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2k2e s VAL 24 Cb -0.15 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.79 2k2e s VAL 24 CO 0.15 -1.01 0.00 0.59 0.00 0.00 0.00 175.10 174.83 2k2e n ASN 25 N 5.08 0.00 -0.00 3.32 5.03 -1.24 -1.66 115.26 125.79 2k2e n ASN 25 Ca -0.01 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.44 2k2e n ASN 25 Cb 0.43 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.19 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 3.13 -3.62 3.52 6.02 -1.26 -4.86 117.38 120.31 2k2e n GLN 26 Ca 0.00 -0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 2k2e n GLN 26 Cb 0.00 -1.02 -0.08 0.00 1.02 0.00 0.00 30.24 30.15 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 -2.03 5.34 -0.42 5.09 1.01 -0.66 -5.05 120.40 123.68 2k2e s VAL 27 Ca -0.00 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2k2e s VAL 27 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2k2e s VAL 27 CO 0.04 0.37 0.37 -0.13 0.00 0.00 0.00 175.10 175.75 2k2e s ARG 28 N 0.75 3.02 -0.09 2.72 0.52 -1.26 0.11 118.95 124.73 2k2e s ARG 28 Ca 0.11 -0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 54.21 2k2e s ARG 28 Cb -0.13 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 2k2e s ARG 28 CO 0.03 -0.82 0.50 -0.06 0.02 0.00 0.00 175.30 174.97 2k2e s PHE 29 N 1.89 3.56 -1.10 -0.53 0.08 0.70 -4.96 117.98 117.63 2k2e s PHE 29 Ca 0.08 0.97 0.18 0.00 0.12 0.00 0.00 56.93 58.28 2k2e s PHE 29 Cb -0.18 -2.55 0.68 0.00 -0.57 0.00 0.00 43.02 40.39 2k2e s PHE 29 CO 0.11 0.24 1.59 -1.13 -0.10 0.00 0.00 175.22 175.93 2k2e n SER 30 N 3.36 4.56 -3.16 1.36 3.41 -1.26 -2.48 113.62 119.40 2k2e n SER 30 Ca -0.07 -2.43 -0.15 0.00 -0.26 0.00 0.00 58.87 55.96 2k2e n SER 30 Cb 0.52 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.81 1.02 0.34 7.33 0.00 -1.26 -3.67 115.29 117.24 2k2e s HIS 31 Ca 0.49 -1.28 -0.29 0.00 -3.00 0.00 0.00 55.06 50.98 2k2e s HIS 31 Cb 0.31 -0.01 -0.10 0.00 -4.00 0.00 0.00 32.58 28.77 2k2e s HIS 31 CO 0.24 -1.19 1.34 0.00 -1.00 0.00 0.00 174.74 174.13 2k2e s ALA 32 N -2.92 3.51 0.05 -1.38 0.00 -1.26 -4.92 121.76 114.84 2k2e s ALA 32 Ca 0.29 1.31 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 2k2e s ALA 32 Cb -0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2k2e s ALA 32 CO 0.20 -0.71 0.14 0.96 0.00 0.00 0.00 175.76 176.35 2k2e s ILE 33 N -1.11 0.13 -0.07 0.00 -4.36 -1.02 -1.49 121.20 113.28 2k2e s ILE 33 Ca 0.50 -1.10 0.03 0.00 -0.26 0.00 0.00 60.65 59.82 2k2e s ILE 33 Cb -0.41 -1.04 0.01 0.00 1.25 0.00 0.00 42.46 42.27 2k2e s ILE 33 CO 0.54 -0.61 -0.15 0.00 0.24 0.00 0.00 174.94 174.97 2k2e s ALA 34 N -2.94 1.48 0.04 2.27 0.00 0.20 -0.76 121.76 122.05 2k2e s ALA 34 Ca -0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2k2e s ALA 34 Cb 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2k2e s ALA 34 CO -0.06 0.17 0.32 -0.59 0.00 0.00 0.00 175.76 175.60 2k2e s PHE 35 N 0.52 -0.13 0.34 0.00 -0.71 -0.35 -0.90 117.98 116.75 2k2e s PHE 35 Ca -0.14 0.01 0.10 0.00 -1.04 0.00 0.00 56.93 55.85 2k2e s PHE 35 Cb -0.16 0.11 -0.06 0.00 -1.21 0.00 0.00 43.02 41.71 2k2e s PHE 35 CO 0.05 -0.51 -0.08 0.00 -1.34 0.00 0.00 175.22 173.33 2k2e s ALA 36 N -2.54 2.99 0.18 1.99 0.00 -1.25 -1.69 121.76 121.44 2k2e s ALA 36 Ca -0.05 -2.05 -0.12 0.00 0.00 0.00 0.00 51.96 49.75 2k2e s ALA 36 Cb -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.06 2k2e s ALA 36 CO -0.03 0.09 1.73 -1.35 0.00 0.00 0.00 175.76 176.20 2k2e h PRO 37 N 2.00 0.92 -4.55 0.00 0.11 -1.86 -3.38 132.00 125.23 2k2e h PRO 37 Ca -0.42 -0.17 -0.65 0.00 0.11 0.00 0.00 66.00 64.87 2k2e h PRO 37 Cb 1.25 -0.15 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 2k2e h PRO 37 CO 0.69 0.78 -0.74 -2.00 -0.21 0.00 0.00 178.00 176.53 2k2e s GLU 38 N -5.53 1.47 0.00 1.05 2.56 -1.26 -3.36 118.70 113.63 2k2e s GLU 38 Ca -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 54.97 53.16 2k2e s GLU 38 Cb 0.13 -2.99 0.00 0.00 2.00 0.00 0.00 34.13 33.27 2k2e s GLU 38 CO 0.80 -0.89 0.00 0.41 -0.56 0.00 0.00 175.26 175.02 2k2e n GLY 39 N 4.36 -0.12 3.95 -1.50 0.00 -1.26 -5.15 105.19 105.47 2k2e n GLY 39 Ca 0.01 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 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 3.13 -0.24 1.61 0.04 -1.26 -4.85 135.00 131.43 2k2e s PRO 40 Ca 0.00 -0.46 -0.02 0.00 0.04 0.00 0.00 61.00 60.55 2k2e s PRO 40 Cb 0.00 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2k2e s PRO 40 CO 0.00 -0.21 -0.05 0.08 0.04 0.00 0.00 177.00 176.86 2k2e s VAL 41 N -2.52 3.03 0.05 -0.36 1.01 -1.26 -3.79 120.40 116.55 2k2e s VAL 41 Ca 0.47 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2k2e s VAL 41 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2k2e s VAL 41 CO 0.38 0.27 -0.14 0.00 0.00 0.00 0.00 175.10 175.60 2k2e s ALA 42 N 1.38 2.75 -0.02 5.51 0.00 -0.08 -4.97 121.76 126.33 2k2e s ALA 42 Ca 0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 2k2e s ALA 42 Cb -0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2k2e s ALA 42 CO -0.04 0.59 1.02 0.45 0.00 0.00 0.00 175.76 177.79 2k2e s SER 43 N -1.59 7.29 -0.32 0.00 0.15 -1.26 -0.62 113.70 117.35 2k2e s SER 43 Ca 0.16 1.68 -0.14 0.00 0.70 0.00 0.00 55.95 58.36 2k2e s SER 43 Cb -0.11 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 2k2e s SER 43 CO 0.07 -0.34 0.29 0.86 1.20 0.00 0.00 173.24 175.32 2k2e s TRP 44 N 1.30 3.22 0.00 3.44 -0.00 -0.56 -4.88 118.94 121.47 2k2e s TRP 44 Ca 0.52 0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.64 2k2e s TRP 44 Cb -0.22 -2.54 0.00 0.00 -0.00 0.00 0.00 33.47 30.71 2k2e s TRP 44 CO 0.26 -0.33 0.81 -2.30 -0.00 0.00 0.00 176.95 175.38 2k2e n PRO 45 N 5.23 0.58 -4.44 5.86 -0.02 -1.26 -4.49 135.00 136.46 2k2e n PRO 45 Ca -0.11 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 2k2e n PRO 45 Cb 0.50 -1.21 -0.15 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.59 2.94 -0.28 -1.45 1.01 -1.26 -4.93 120.40 117.02 2k2e s VAL 46 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2k2e s VAL 46 Cb 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 36.38 33.99 2k2e s VAL 46 CO 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 175.10 175.25 2k2e n GLN 47 N 4.07 0.59 -4.11 2.72 6.02 -1.26 -4.60 117.38 120.81 2k2e n GLN 47 Ca -0.19 0.25 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 2k2e n GLN 47 Cb 0.52 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k2e s ARG 48 N -2.51 2.65 0.66 -1.09 0.52 -1.26 -4.55 118.95 113.37 2k2e s ARG 48 Ca -0.39 -0.83 0.43 0.00 -0.52 0.00 0.00 55.73 54.43 2k2e s ARG 48 Cb 0.15 -2.58 2.35 0.00 0.52 0.00 0.00 34.95 35.39 2k2e s ARG 48 CO 0.49 0.53 2.33 -1.00 0.02 0.00 0.00 175.30 177.67 2k2e h PRO 49 N 3.23 0.00 0.00 3.54 0.13 -1.88 -0.10 132.00 136.92 2k2e h PRO 49 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2k2e h PRO 49 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k2e h PRO 49 CO 0.61 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.36 2k2e h ALA 50 N 1.96 0.99 0.00 -0.56 0.00 -1.94 -3.17 119.26 116.54 2k2e h ALA 50 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2k2e h ALA 50 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k2e h ALA 50 CO 0.00 0.03 -0.37 -0.44 0.00 0.00 0.00 179.25 178.47 2k2e h ASP 51 N 0.00 0.00 -1.71 0.00 3.32 -1.40 -3.45 116.42 113.18 2k2e h ASP 51 Ca -0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 2k2e h ASP 51 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2k2e h ASP 51 CO 0.00 0.37 1.27 -0.38 -1.72 0.00 0.00 179.24 178.78 2k2e n ILE 52 N -3.87 0.41 -4.43 0.35 5.41 -1.20 -4.97 119.36 111.05 2k2e n ILE 52 Ca -0.01 -0.22 -0.22 0.00 1.00 0.00 0.00 62.75 63.29 2k2e n ILE 52 Cb 0.43 -1.91 -0.10 0.00 -0.71 0.00 0.00 39.64 37.35 2k2e n ILE 52 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2k2e s THR 53 N 5.88 2.25 0.23 1.39 2.01 -1.26 -5.03 115.64 121.11 2k2e s THR 53 Ca 1.00 -2.34 -0.06 0.00 0.31 0.00 0.00 61.69 60.61 2k2e s THR 53 Cb -0.69 -2.21 0.20 0.00 0.01 0.00 0.00 72.50 69.80 2k2e s THR 53 CO 0.48 -0.45 1.75 0.00 -0.69 0.00 0.00 174.62 175.72 2k2e h ALA 54 N 2.39 1.01 -0.47 7.40 0.00 -1.93 -0.33 119.26 127.33 2k2e h ALA 54 Ca -0.40 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k2e h ALA 54 Cb 1.25 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2k2e h ALA 54 CO 0.60 -0.15 0.12 0.66 0.00 0.00 0.00 179.25 180.49 2k2e h SER 55 N 0.50 0.65 0.32 0.00 4.64 -1.97 -2.16 113.55 115.52 2k2e h SER 55 Ca 0.38 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2k2e h SER 55 Cb 0.51 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2k2e h SER 55 CO -0.35 0.63 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.72 2k2e h LEU 56 N 0.68 0.19 -0.92 5.97 3.38 -1.49 -2.23 115.31 120.90 2k2e h LEU 56 Ca 0.16 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2k2e h LEU 56 Cb 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k2e h LEU 56 CO -0.00 0.62 -0.19 -0.07 0.09 0.00 0.00 178.44 178.89 2k2e h LEU 57 N 0.14 0.58 -1.01 1.67 3.38 -0.68 -0.55 115.31 118.85 2k2e h LEU 57 Ca 0.01 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2k2e h LEU 57 Cb 0.87 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2k2e h LEU 57 CO 0.07 0.78 -0.09 1.56 0.09 0.00 0.00 178.44 180.84 2k2e h GLN 58 N 0.52 0.61 -0.31 1.13 4.20 -0.94 -0.15 115.11 120.17 2k2e h GLN 58 Ca 0.08 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 2k2e h GLN 58 Cb 0.62 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2k2e h GLN 58 CO 0.04 0.70 -0.48 1.96 -0.67 0.00 0.00 178.83 180.38 2k2e h GLN 59 N 0.57 0.86 0.00 1.46 4.20 -0.94 -2.37 115.11 118.88 2k2e h GLN 59 Ca 0.11 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 2k2e h GLN 59 Cb 0.50 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2k2e h GLN 59 CO 0.03 1.14 -0.19 0.00 -0.67 0.00 0.00 178.83 179.14 2k2e h ALA 60 N 0.77 1.08 -0.00 3.87 0.00 -0.78 -1.90 119.26 122.29 2k2e h ALA 60 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k2e h ALA 60 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k2e h ALA 60 CO 0.11 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.54 2k2e n ALA 61 N -2.23 2.55 -2.93 0.00 0.00 -0.10 -4.81 120.51 112.99 2k2e n ALA 61 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2k2e n ALA 61 Cb 0.37 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.42 2k2e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 62 N 1.37 0.05 0.38 0.00 0.00 -0.71 -4.51 105.19 101.77 2k2e n GLY 62 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2k2e n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k2e n LEU 63 N -2.79 0.99 -4.44 0.99 4.77 -0.91 -4.51 117.00 111.10 2k2e n LEU 63 Ca -0.03 -0.50 -0.44 0.00 -0.03 0.00 0.00 56.01 55.01 2k2e n LEU 63 Cb 0.55 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2k2e n LEU 63 CO 0.33 0.20 1.18 0.00 -1.33 0.00 0.00 177.39 177.78 2k2e s ALA 64 N -1.65 4.02 0.28 -1.18 0.00 -1.26 -5.01 121.76 116.96 2k2e s ALA 64 Ca 0.08 -3.34 -0.25 0.00 0.00 0.00 0.00 51.96 48.45 2k2e s ALA 64 Cb 0.05 -4.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.08 2k2e s ALA 64 CO 0.04 -2.69 0.88 -2.00 0.00 0.00 0.00 175.76 171.99 2k2e s GLU 65 N 1.23 4.54 0.16 0.00 2.56 -1.26 -5.07 118.70 120.87 2k2e s GLU 65 Ca 0.38 1.24 -0.00 0.00 0.00 0.00 0.00 54.97 56.58 2k2e s GLU 65 Cb -0.05 -2.91 -0.04 0.00 2.00 0.00 0.00 34.13 33.13 2k2e s GLU 65 CO -0.03 0.35 0.06 0.08 -0.56 0.00 0.00 175.26 175.16 2k2e s VAL 66 N -1.51 0.24 0.60 3.70 1.01 -1.26 -5.01 120.40 118.18 2k2e s VAL 66 Ca 0.46 -1.95 0.31 0.00 0.00 0.00 0.00 61.98 60.81 2k2e s VAL 66 Cb -0.19 -2.19 0.37 0.00 0.00 0.00 0.00 36.38 34.36 2k2e s VAL 66 CO 0.24 -0.35 2.21 0.58 0.00 0.00 0.00 175.10 177.79 2k2e h VAL 67 N 2.74 0.42 0.00 2.92 2.07 -1.97 -3.46 116.25 118.97 2k2e h VAL 67 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2k2e h VAL 67 Cb 1.21 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2k2e h VAL 67 CO 0.59 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.72 2k2e n ARG 68 N -3.69 0.00 0.11 1.57 1.74 -1.26 -3.84 116.66 111.29 2k2e n ARG 68 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2k2e n ARG 68 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 2k2e n ARG 68 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k2e n ASP 69 N 2.55 -1.97 -4.83 0.55 2.03 -1.26 -5.13 116.55 108.49 2k2e n ASP 69 Ca 0.00 0.58 -0.37 0.00 0.52 0.00 0.00 54.79 55.52 2k2e n ASP 69 Cb 0.00 2.05 -0.06 0.00 -0.72 0.00 0.00 41.12 42.39 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 -2.00 4.06 0.52 -0.67 0.04 -1.25 -4.96 135.00 130.74 2k2e s PRO 70 Ca 0.00 0.58 0.31 0.00 0.04 0.00 0.00 61.00 61.93 2k2e s PRO 70 Cb 0.00 -3.11 1.11 0.00 0.04 0.00 0.00 34.50 32.54 2k2e s PRO 70 CO 0.00 0.58 1.89 -0.07 0.04 0.00 0.00 177.00 179.44 2k2e h LEU 71 N 4.17 0.00 -8.22 -3.56 4.07 -2.01 -3.39 115.31 106.37 2k2e h LEU 71 Ca -0.50 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 56.76 2k2e h LEU 71 Cb 1.21 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.67 2k2e h LEU 71 CO 0.64 0.00 -0.58 0.00 -1.08 0.00 0.00 178.44 177.42 2k2e s ALA 72 N -3.55 3.11 0.16 1.53 0.00 -1.26 -5.08 121.76 116.67 2k2e s ALA 72 Ca 0.03 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.91 2k2e s ALA 72 Cb 0.08 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 2k2e s ALA 72 CO 0.57 -1.38 1.09 -0.06 0.00 0.00 0.00 175.76 175.98 2k2e s PHE 73 N 1.43 3.61 -0.23 0.00 0.08 -1.26 -4.95 117.98 116.65 2k2e s PHE 73 Ca -0.00 1.60 -0.02 0.00 0.12 0.00 0.00 56.93 58.63 2k2e s PHE 73 Cb -0.20 -3.26 -0.14 0.00 -0.57 0.00 0.00 43.02 38.85 2k2e s PHE 73 CO 0.04 -0.56 -0.23 1.28 -0.10 0.00 0.00 175.22 175.64 2k2e n LEU 74 N 2.53 2.64 0.40 -0.37 4.77 -1.26 -4.49 117.00 121.22 2k2e n LEU 74 Ca 0.03 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 2k2e n LEU 74 Cb 0.46 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 2k2e n LEU 74 CO 0.54 0.78 0.53 -2.24 -1.33 0.00 0.00 177.39 175.67 2k2e h ASP 75 N -0.24 -0.90 -3.56 -1.43 3.04 -2.04 -3.35 116.42 107.94 2k2e h ASP 75 Ca -0.54 0.04 -0.57 0.00 -3.24 0.00 0.00 57.03 52.71 2k2e h ASP 75 Cb 1.73 0.24 -0.09 0.00 -1.04 0.00 0.00 39.33 40.17 2k2e h ASP 75 CO -0.16 -0.63 0.81 -1.61 -2.04 0.00 0.00 179.24 175.61 2k2e s GLU 76 N -5.28 3.59 0.08 4.15 0.41 -1.26 -4.94 118.70 115.45 2k2e s GLU 76 Ca -0.15 0.32 -0.19 0.00 -0.41 0.00 0.00 54.97 54.53 2k2e s GLU 76 Cb 0.02 -3.95 -0.10 0.00 -1.78 0.00 0.00 34.13 28.32 2k2e s GLU 76 CO 0.46 -1.41 1.50 -1.35 -0.49 0.00 0.00 175.26 173.97 2k2e h PRO 77 N 9.26 0.40 -4.21 0.39 0.11 -1.79 -3.42 132.00 132.75 2k2e h PRO 77 Ca -0.24 -0.13 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 2k2e h PRO 77 Cb 1.06 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.01 2k2e h PRO 77 CO 1.11 0.60 -0.48 -1.21 -0.21 0.00 0.00 178.00 177.81 2k2e s GLU 78 N -4.92 1.14 0.00 1.05 2.02 -1.26 -4.89 118.70 111.83 2k2e s GLU 78 Ca -0.14 -1.38 0.20 0.00 0.02 0.00 0.00 54.97 53.67 2k2e s GLU 78 Cb 0.07 0.32 0.09 0.00 0.10 0.00 0.00 34.13 34.71 2k2e s GLU 78 CO 0.74 -0.39 1.07 0.00 0.02 0.00 0.00 175.26 176.70 2k2e n ALA 79 N -0.21 2.82 -0.36 5.21 0.00 -1.26 -4.72 120.51 121.99 2k2e n ALA 79 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2k2e n ALA 79 Cb 0.64 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2k2e n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 80 N 1.19 1.31 1.90 0.00 0.00 -1.26 -3.04 105.19 105.28 2k2e n GLY 80 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.41 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 81 N 8.45 4.15 -3.00 4.61 0.00 -1.26 -4.93 120.51 128.53 2k2e n ALA 81 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.43 2k2e n ALA 81 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2k2e n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 82 N 0.27 5.15 0.04 0.00 0.00 -1.17 -5.05 105.19 104.44 2k2e n GLY 82 Ca 0.32 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.00 2.04 -3.78 4.61 0.00 -1.26 -4.85 120.51 114.27 2k2e n ALA 83 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 53.44 51.96 2k2e n ALA 83 Cb 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.21 2.36 0.00 0.00 1.70 -1.26 -5.07 118.95 115.47 2k2e s ARG 84 Ca 0.05 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2k2e s ARG 84 Cb 0.04 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 2k2e s ARG 84 CO 0.01 -0.11 0.00 -0.35 -1.08 0.00 0.00 175.30 173.77 2k2e n PRO 85 N 4.37 2.08 -0.83 3.89 -0.05 -1.26 -4.76 135.00 138.44 2k2e n PRO 85 Ca -0.19 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.33 2k2e n PRO 85 Cb 0.51 0.00 0.38 0.00 -0.05 0.00 0.00 33.50 34.34 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k2e n ALA 86 N -3.00 3.77 0.37 0.55 0.00 -1.26 -4.44 120.51 116.50 2k2e n ALA 86 Ca 0.00 -2.02 0.12 0.00 0.00 0.00 0.00 53.44 51.55 2k2e n ALA 86 Cb 0.00 -1.06 0.53 0.00 0.00 0.00 0.00 19.45 18.92 2k2e n ALA 86 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k2e h ASN 87 N 3.58 0.00 -3.44 0.00 -1.07 -1.98 -3.43 115.58 109.24 2k2e h ASN 87 Ca 0.01 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.86 2k2e h ASN 87 Cb 1.91 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 38.17 2k2e h ASN 87 CO 0.46 0.00 0.52 0.00 0.07 0.00 0.00 177.43 178.48 2k2e s ALA 88 N -3.38 3.39 0.12 4.14 0.00 -1.26 -4.95 121.76 119.81 2k2e s ALA 88 Ca 0.03 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 52.51 2k2e s ALA 88 Cb 0.09 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2k2e s ALA 88 CO 0.39 -0.31 1.68 -2.30 0.00 0.00 0.00 175.76 175.22 2k2e n PRO 89 N 2.85 2.31 -0.07 0.00 -0.02 -1.26 -4.90 135.00 133.91 2k2e n PRO 89 Ca 0.05 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.26 2k2e n PRO 89 Cb 0.46 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 2k2e n PRO 89 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2k2e h GLU 90 N 6.89 0.36 -3.79 -0.52 4.81 -1.57 -3.35 114.58 117.41 2k2e h GLU 90 Ca -0.45 -0.08 -0.33 0.00 -0.13 0.00 0.00 59.36 58.36 2k2e h GLU 90 Cb 1.25 -0.05 -0.33 0.00 0.63 0.00 0.00 28.75 30.25 2k2e h GLU 90 CO 0.91 0.46 -0.74 0.54 -0.73 0.00 0.00 179.01 179.45 2k2e s VAL 91 N -5.36 0.19 -0.23 0.32 0.11 -0.83 -1.56 120.40 113.04 2k2e s VAL 91 Ca -0.14 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2k2e s VAL 91 Cb 0.08 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 2k2e s VAL 91 CO 0.72 0.13 -0.06 -0.22 -3.33 0.00 0.00 175.10 172.34 2k2e s LEU 92 N 0.78 3.00 -0.31 2.54 2.96 -0.01 -1.07 118.68 126.56 2k2e s LEU 92 Ca -0.08 -0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 2k2e s LEU 92 Cb -0.11 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2k2e s LEU 92 CO -0.01 -0.08 0.19 -0.76 -1.32 0.00 0.00 176.35 174.37 2k2e s LEU 93 N 1.38 4.21 -0.38 -0.68 1.43 0.57 -0.25 118.68 124.96 2k2e s LEU 93 Ca 0.03 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2k2e s LEU 93 Cb -0.15 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.01 2k2e s LEU 93 CO -0.05 -0.16 0.21 -0.69 0.23 0.00 0.00 176.35 175.90 2k2e s VAL 94 N 1.70 4.64 -0.70 -1.59 1.01 -0.13 -0.54 120.40 124.79 2k2e s VAL 94 Ca 0.06 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 2k2e s VAL 94 Cb -0.17 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.75 2k2e s VAL 94 CO 0.09 -0.24 0.84 -0.83 0.00 0.00 0.00 175.10 174.97 2k2e s GLY 95 N 1.57 1.83 0.15 4.51 0.00 0.71 -0.15 107.32 115.95 2k2e s GLY 95 Ca 0.02 -2.40 0.27 0.00 0.00 0.00 0.00 44.72 42.61 2k2e s GLY 95 CO 0.07 1.72 1.77 -1.30 0.00 0.00 0.00 173.10 175.36 2k2e n THR 96 N 5.43 0.43 0.00 0.90 -2.24 -0.11 -0.44 114.28 118.25 2k2e n THR 96 Ca 0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2k2e n THR 96 Cb 0.45 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2e n GLY 97 N 1.36 1.70 0.41 3.38 0.00 -1.26 -3.99 105.19 106.78 2k2e n GLY 97 Ca 0.06 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2k2e n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k2e h ARG 98 N 0.00 -0.96 -5.05 1.61 2.43 -1.82 -3.41 114.38 107.18 2k2e h ARG 98 Ca 0.00 0.07 -0.65 0.00 -0.81 0.00 0.00 59.98 58.59 2k2e h ARG 98 Cb 0.00 0.22 -0.24 0.00 -0.42 0.00 0.00 29.97 29.52 2k2e h ARG 98 CO 0.00 -0.62 -0.67 1.03 -1.51 0.00 0.00 179.97 178.20 2k2e s ARG 99 N -5.40 3.55 -0.75 0.20 1.81 -1.26 -5.05 118.95 112.06 2k2e s ARG 99 Ca -0.17 -0.55 -0.26 0.00 -1.72 0.00 0.00 55.73 53.04 2k2e s ARG 99 Cb 0.02 -3.10 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 2k2e s ARG 99 CO 0.54 -0.09 1.63 -1.14 -0.68 0.00 0.00 175.30 175.55 2k2e s GLN 100 N 1.27 2.93 -0.53 3.54 0.74 -1.26 -4.65 119.66 121.69 2k2e s GLN 100 Ca 0.04 -0.03 -0.28 0.00 0.05 0.00 0.00 55.36 55.14 2k2e s GLN 100 Cb -0.15 -4.55 0.00 0.00 1.10 0.00 0.00 33.01 29.42 2k2e s GLN 100 CO 0.01 -2.57 1.57 -1.58 -0.55 0.00 0.00 175.29 172.17 2k2e s HIS 101 N 7.59 2.08 0.37 1.67 5.65 -1.26 -4.98 115.29 126.40 2k2e s HIS 101 Ca 0.54 0.56 -0.27 0.00 0.25 0.00 0.00 55.06 56.15 2k2e s HIS 101 Cb -0.09 -4.29 -0.09 0.00 -1.18 0.00 0.00 32.58 26.94 2k2e s HIS 101 CO 0.12 -2.20 1.21 -0.51 -0.65 0.00 0.00 174.74 172.70 2k2e s LEU 102 N 6.82 4.31 0.37 8.88 1.43 -1.26 -4.88 118.68 134.36 2k2e s LEU 102 Ca 0.60 2.46 -0.00 0.00 -1.03 0.00 0.00 54.13 56.15 2k2e s LEU 102 Cb -0.13 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 2k2e s LEU 102 CO 0.25 -0.58 0.59 -0.76 0.23 0.00 0.00 176.35 176.09 2k2e s LEU 103 N -2.15 3.93 0.29 1.79 1.43 -1.26 -5.11 118.68 117.60 2k2e s LEU 103 Ca 0.53 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 2k2e s LEU 103 Cb -0.34 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2k2e s LEU 103 CO 0.44 -0.36 0.25 -0.83 0.23 0.00 0.00 176.35 176.07 2k2e s GLY 104 N -4.06 1.57 0.14 -3.19 0.00 -1.26 -5.03 107.32 95.50 2k2e s GLY 104 Ca 0.42 -1.52 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 2k2e s GLY 104 CO 0.38 -1.51 1.70 -2.55 0.00 0.00 0.00 173.10 171.12 2k2e h PRO 105 N 1.37 0.05 0.00 2.90 0.11 -1.99 -1.31 132.00 133.12 2k2e h PRO 105 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2k2e h PRO 105 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k2e h PRO 105 CO 0.59 0.03 -0.07 0.93 -0.21 0.00 0.00 178.00 179.28 2k2e h GLU 106 N 0.05 0.00 0.02 1.05 3.07 -2.01 -2.13 114.58 114.64 2k2e h GLU 106 Ca 0.13 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.77 2k2e h GLU 106 Cb 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2k2e h GLU 106 CO -0.24 0.07 -0.97 1.96 -1.40 0.00 0.00 179.01 178.43 2k2e h GLN 107 N 0.00 0.29 0.00 2.33 4.20 -1.65 -3.25 115.11 117.04 2k2e h GLN 107 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2k2e h GLN 107 Cb 0.18 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2k2e h GLN 107 CO 0.01 1.07 -0.63 1.33 -0.67 0.00 0.00 178.83 179.94 2k2e n VAL 108 N -3.67 0.09 0.04 -0.54 0.24 -0.92 -4.39 118.33 109.19 2k2e n VAL 108 Ca -0.06 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 2k2e n VAL 108 Cb 0.86 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 2k2e n VAL 108 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2k2e h ARG 109 N 0.00 -0.43 -0.50 7.34 3.08 -1.43 0.51 114.38 122.94 2k2e h ARG 109 Ca 0.00 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2k2e h ARG 109 Cb 0.58 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2k2e h ARG 109 CO 0.00 -0.29 0.26 -1.00 -1.07 0.00 0.00 179.97 177.88 2k2e h PRO 110 N -0.44 0.69 0.20 0.04 0.13 -1.78 -0.87 132.00 129.96 2k2e h PRO 110 Ca 0.07 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 2k2e h PRO 110 Cb 0.56 -0.14 0.02 0.00 0.13 0.00 0.00 31.00 31.57 2k2e h PRO 110 CO -0.30 0.52 -1.43 -0.07 -0.23 0.00 0.00 178.00 176.49 2k2e h LEU 111 N 0.70 0.65 -1.40 1.56 3.38 -1.74 -3.12 115.31 115.34 2k2e h LEU 111 Ca 0.18 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2k2e h LEU 111 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2k2e h LEU 111 CO -0.03 1.57 -0.18 -0.07 0.09 0.00 0.00 178.44 179.83 2k2e h LEU 112 N 0.11 0.00 -1.24 1.67 3.38 -0.70 0.17 115.31 118.70 2k2e h LEU 112 Ca -0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2k2e h LEU 112 Cb 2.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 2k2e h LEU 112 CO 0.24 0.18 -0.38 0.00 0.09 0.00 0.00 178.44 178.57 2k2e h ALA 113 N 1.82 1.35 0.09 1.53 0.00 -1.12 -3.08 119.26 119.85 2k2e h ALA 113 Ca -0.00 -0.34 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 2k2e h ALA 113 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k2e h ALA 113 CO 0.02 0.47 -1.78 0.52 0.00 0.00 0.00 179.25 178.49 2k2e h MET 114 N 0.00 0.19 0.00 0.00 2.86 -1.25 -3.49 114.93 113.24 2k2e h MET 114 Ca -0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2k2e h MET 114 Cb 0.68 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2k2e h MET 114 CO 0.05 0.98 0.00 0.41 1.06 0.00 0.00 176.91 179.41 2k2e n GLY 115 N 1.77 1.66 3.55 8.32 0.00 0.34 -5.08 105.19 115.76 2k2e n GLY 115 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.95 4.42 -0.86 1.61 1.01 0.18 -4.72 120.40 120.09 2k2e s VAL 116 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 2k2e s VAL 116 Cb 0.00 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 31.96 2k2e s VAL 116 CO 0.00 -0.95 1.28 -0.83 0.00 0.00 0.00 175.10 174.60 2k2e s GLY 117 N 2.49 1.24 -0.09 4.51 0.00 -0.60 -4.12 107.32 110.75 2k2e s GLY 117 Ca 0.35 -1.98 -0.21 0.00 0.00 0.00 0.00 44.72 42.88 2k2e s GLY 117 CO 0.24 2.49 0.62 0.14 0.00 0.00 0.00 173.10 176.59 2k2e s VAL 118 N 4.78 5.10 -0.01 1.40 1.01 -1.26 -0.83 120.40 130.59 2k2e s VAL 118 Ca 0.37 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.66 2k2e s VAL 118 Cb -0.06 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2k2e s VAL 118 CO 0.01 0.28 -0.17 -1.61 0.00 0.00 0.00 175.10 173.61 2k2e s GLU 119 N 0.75 1.41 -0.21 2.72 2.02 0.66 -4.93 118.70 121.12 2k2e s GLU 119 Ca 0.33 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 2k2e s GLU 119 Cb -0.17 -1.36 -0.05 0.00 0.10 0.00 0.00 34.13 32.66 2k2e s GLU 119 CO 0.15 0.37 0.17 0.00 0.02 0.00 0.00 175.26 175.96 2k2e s ALA 120 N -0.39 3.65 0.12 5.21 0.00 -1.26 -0.96 121.76 128.12 2k2e s ALA 120 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2k2e s ALA 120 Cb -0.07 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 2k2e s ALA 120 CO -0.01 0.02 0.10 -1.33 0.00 0.00 0.00 175.76 174.55 2k2e n MET 121 N 3.81 0.15 -2.65 0.00 2.81 0.79 -4.94 117.12 117.08 2k2e n MET 121 Ca -0.15 -1.15 -0.22 0.00 -1.81 0.00 0.00 57.70 54.37 2k2e n MET 121 Cb 0.52 0.95 0.03 0.00 -0.71 0.00 0.00 33.22 34.01 2k2e n MET 121 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2k2e s ASP 122 N -1.81 5.37 0.37 7.83 1.47 -1.26 -0.94 116.67 127.71 2k2e s ASP 122 Ca 0.14 0.16 0.04 0.00 1.18 0.00 0.00 52.55 54.07 2k2e s ASP 122 Cb 0.01 -1.11 0.71 0.00 -0.34 0.00 0.00 42.92 42.18 2k2e s ASP 122 CO 0.10 -1.09 2.01 0.74 0.68 0.00 0.00 175.17 177.61 2k2e h THR 123 N 0.05 1.12 0.05 2.11 2.02 -1.81 -0.26 112.91 116.19 2k2e h THR 123 Ca -0.44 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 2k2e h THR 123 Cb 1.29 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2k2e h THR 123 CO 0.55 0.14 -0.03 -0.61 0.37 0.00 0.00 175.52 175.94 2k2e h GLN 124 N 0.77 -0.07 -0.74 6.66 -0.00 -1.95 -2.62 115.11 117.16 2k2e h GLN 124 Ca 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.86 2k2e h GLN 124 Cb -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 2k2e h GLN 124 CO -0.06 0.55 0.38 0.00 0.00 0.00 0.00 178.83 179.70 2k2e h ALA 125 N -0.11 0.95 -0.29 3.38 0.00 -1.93 -0.27 119.26 120.99 2k2e h ALA 125 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k2e h ALA 125 Cb 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k2e h ALA 125 CO 0.01 0.49 0.12 0.00 0.00 0.00 0.00 179.25 179.87 2k2e h ALA 126 N 1.19 0.38 -0.27 0.00 0.00 -1.14 0.89 119.26 120.31 2k2e h ALA 126 Ca 0.26 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2k2e h ALA 126 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2k2e h ALA 126 CO -0.04 -0.03 -0.27 0.00 0.00 0.00 0.00 179.25 178.91 2k2e h ALA 127 N 0.97 1.03 -0.06 0.00 0.00 -1.21 -0.18 119.26 119.80 2k2e h ALA 127 Ca 0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2k2e h ALA 127 Cb 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k2e h ALA 127 CO -0.01 0.58 -0.36 -0.09 0.00 0.00 0.00 179.25 179.37 2k2e h ARG 128 N 0.46 0.36 -0.47 0.00 2.43 -0.83 -2.48 114.38 113.85 2k2e h ARG 128 Ca 0.06 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 2k2e h ARG 128 Cb 0.71 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2k2e h ARG 128 CO 0.05 0.95 0.13 1.15 -1.51 0.00 0.00 179.97 180.74 2k2e h THR 129 N -0.13 1.20 -0.56 0.20 2.02 -0.79 -1.76 112.91 113.08 2k2e h THR 129 Ca -0.03 -0.69 0.09 0.00 0.77 0.00 0.00 66.41 66.55 2k2e h THR 129 Cb 1.02 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 2k2e h THR 129 CO 0.07 0.26 0.19 0.22 0.37 0.00 0.00 175.52 176.63 2k2e h TYR 130 N 0.68 0.33 -0.67 3.16 3.20 -0.95 0.26 116.97 122.97 2k2e h TYR 130 Ca 0.16 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2k2e h TYR 130 Cb 0.23 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2k2e h TYR 130 CO 0.01 0.08 0.26 -0.91 -1.64 0.00 0.00 178.16 175.96 2k2e h ASN 131 N 0.36 0.94 -0.20 -2.11 -0.26 -0.87 0.17 115.58 113.61 2k2e h ASN 131 Ca 0.28 -0.18 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 2k2e h ASN 131 Cb 0.35 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2k2e h ASN 131 CO -0.30 0.86 0.06 0.40 -1.06 0.00 0.00 177.43 177.39 2k2e h ILE 132 N 0.96 1.19 0.00 2.81 2.04 -0.61 -2.05 117.51 121.85 2k2e h ILE 132 Ca 0.22 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 2k2e h ILE 132 Cb 0.22 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2k2e h ILE 132 CO -0.02 0.18 -0.30 -0.07 0.00 0.00 0.00 178.15 177.95 2k2e h LEU 133 N 0.14 0.00 -0.92 1.44 3.38 -0.38 -1.27 115.31 117.70 2k2e h LEU 133 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2k2e h LEU 133 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2k2e h LEU 133 CO -0.00 0.30 -0.05 -0.03 0.09 0.00 0.00 178.44 178.75 2k2e h MET 134 N 0.00 0.74 0.00 1.13 4.05 -0.67 -1.80 114.93 118.38 2k2e h MET 134 Ca -0.00 -0.21 -0.09 0.00 -0.28 0.00 0.00 59.70 59.11 2k2e h MET 134 Cb 0.63 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2k2e h MET 134 CO 0.04 0.78 -0.43 0.00 0.23 0.00 0.00 176.91 177.53 2k2e h ALA 135 N 1.26 0.95 -0.32 0.39 0.00 -0.57 -2.78 119.26 118.20 2k2e h ALA 135 Ca 0.13 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2k2e h ALA 135 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k2e h ALA 135 CO 0.03 0.54 -0.22 0.93 0.00 0.00 0.00 179.25 180.52 2k2e h GLU 136 N 0.00 0.61 0.00 0.00 4.39 -0.67 -3.47 114.58 115.44 2k2e h GLU 136 Ca -0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2k2e h GLU 136 Cb 0.98 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2k2e h GLU 136 CO 0.06 0.79 0.00 0.41 -1.16 0.00 0.00 179.01 179.10 2k2e n GLY 137 N -0.35 0.92 3.89 -3.84 0.00 -0.73 -5.08 105.19 100.00 2k2e n GLY 137 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.86 3.71 -1.07 1.61 0.52 -1.10 -4.98 118.95 116.77 2k2e s ARG 138 Ca 0.00 0.31 -0.20 0.00 -0.52 0.00 0.00 55.73 55.32 2k2e s ARG 138 Cb 0.00 -2.45 0.08 0.00 0.52 0.00 0.00 34.95 33.10 2k2e s ARG 138 CO 0.00 0.00 1.44 1.03 0.02 0.00 0.00 175.30 177.79 2k2e s ARG 139 N -3.90 3.72 -0.16 3.54 0.52 -1.26 -4.63 118.95 116.78 2k2e s ARG 139 Ca 0.49 -1.56 -0.07 0.00 -0.52 0.00 0.00 55.73 54.08 2k2e s ARG 139 Cb -0.10 -5.28 -0.04 0.00 0.52 0.00 0.00 34.95 30.05 2k2e s ARG 139 CO 0.33 -2.09 0.06 0.54 0.02 0.00 0.00 175.30 174.16 2k2e s VAL 140 N 4.07 4.82 -0.05 3.52 0.11 -1.26 -1.55 120.40 130.05 2k2e s VAL 140 Ca 0.45 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.53 2k2e s VAL 140 Cb -0.00 -3.14 -0.01 0.00 -1.53 0.00 0.00 36.38 31.69 2k2e s VAL 140 CO -0.05 0.51 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.28 2k2e s VAL 141 N -0.02 2.02 -0.05 2.04 1.01 -0.24 -4.19 120.40 120.97 2k2e s VAL 141 Ca 0.06 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2k2e s VAL 141 Cb -0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2k2e s VAL 141 CO 0.01 0.56 -0.23 0.54 0.00 0.00 0.00 175.10 175.98 2k2e s VAL 142 N -0.23 1.89 -0.20 2.92 0.11 -0.68 -0.32 120.40 123.89 2k2e s VAL 142 Ca -0.01 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2k2e s VAL 142 Cb -0.13 -1.60 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 2k2e s VAL 142 CO 0.03 0.53 -0.14 0.00 -3.33 0.00 0.00 175.10 172.19 2k2e s ALA 143 N -0.16 2.51 -0.19 1.54 0.00 0.30 -1.22 121.76 124.55 2k2e s ALA 143 Ca -0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2k2e s ALA 143 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 2k2e s ALA 143 CO 0.03 -0.39 -0.03 -0.51 0.00 0.00 0.00 175.76 174.85 2k2e s LEU 144 N 1.36 3.10 0.14 0.00 1.43 0.06 -0.21 118.68 124.55 2k2e s LEU 144 Ca 0.05 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2k2e s LEU 144 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2k2e s LEU 144 CO -0.09 0.08 0.16 -0.76 0.23 0.00 0.00 176.35 175.97 2k2e s LEU 145 N 0.90 3.95 0.84 1.79 1.43 0.41 -2.43 118.68 125.58 2k2e s LEU 145 Ca -0.00 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2k2e s LEU 145 Cb -0.15 -2.57 0.12 0.00 0.03 0.00 0.00 46.19 43.63 2k2e s LEU 145 CO 0.01 0.09 1.20 -2.84 0.23 0.00 0.00 176.35 175.05 2k2e s PRO 146 N -2.95 1.56 0.15 1.29 0.02 -1.26 -4.43 135.00 129.38 2k2e s PRO 146 Ca 0.32 -0.14 -0.01 0.00 0.02 0.00 0.00 61.00 61.19 2k2e s PRO 146 Cb -0.11 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 2k2e s PRO 146 CO 0.24 -1.81 1.36 0.22 -0.33 0.00 0.00 177.00 176.68 2k2e h ASP 147 N -1.18 0.40 0.00 2.53 1.82 -1.92 -3.39 116.42 114.68 2k2e h ASP 147 Ca -0.45 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 55.88 2k2e h ASP 147 Cb 1.30 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2k2e h ASP 147 CO 0.56 1.09 0.00 0.61 -1.61 0.00 0.00 179.24 179.89 2k2e n GLY 148 N 0.83 2.03 3.77 -0.78 0.00 -1.26 -4.63 105.19 105.16 2k2e n GLY 148 Ca -0.05 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 149 N 0.00 7.31 0.04 1.61 2.15 -1.26 -5.07 116.67 121.45 2k2e s ASP 149 Ca 0.00 1.93 -0.04 0.00 0.43 0.00 0.00 52.55 54.86 2k2e s ASP 149 Cb 0.00 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.01 2k2e s ASP 149 CO 0.00 -0.09 0.07 -0.44 -0.17 0.00 0.00 175.17 174.54 2k2e s SER 150 N -1.46 0.24 0.43 -0.34 0.01 -1.26 -4.93 113.70 106.39 2k2e s SER 150 Ca 0.49 -0.65 0.22 0.00 1.31 0.00 0.00 55.95 57.32 2k2e s SER 150 Cb -0.22 0.22 0.93 0.00 0.21 0.00 0.00 66.02 67.16 2k2e s SER 150 CO 0.27 -0.54 1.84 -0.07 0.41 0.00 0.00 173.24 175.16 2k2e h LEU 151 N 3.52 0.00 -8.63 2.44 -0.00 -1.86 -3.38 115.31 107.40 2k2e h LEU 151 Ca -0.33 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.00 2k2e h LEU 151 Cb 1.18 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.78 2k2e h LEU 151 CO 0.54 0.27 1.10 -1.61 -0.00 0.00 0.00 178.44 178.74 2k2e s GLU 152 N -3.79 3.33 0.37 1.13 2.02 -1.25 -4.87 118.70 115.63 2k2e s GLU 152 Ca -0.01 0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.60 2k2e s GLU 152 Cb 0.11 -4.11 0.72 0.00 0.10 0.00 0.00 34.13 30.95 2k2e s GLU 152 CO 0.65 -1.89 1.95 0.45 0.02 0.00 0.00 175.26 176.44 2k2e h HIS 153 N 11.13 0.52 -3.58 1.61 3.86 -1.97 -3.29 115.15 123.43 2k2e h HIS 153 Ca -0.27 -0.03 -0.70 0.00 -1.16 0.00 0.00 60.37 58.21 2k2e h HIS 153 Cb 1.10 -0.16 -0.30 0.00 1.06 0.00 0.00 27.41 29.11 2k2e h HIS 153 CO 1.02 0.44 -0.56 -1.01 0.86 0.00 0.00 177.93 178.69 2k2e s HIS 154 N -5.17 3.33 0.13 2.45 3.76 -1.26 -5.04 115.29 113.50 2k2e s HIS 154 Ca -0.08 -1.65 -0.34 0.00 -0.15 0.00 0.00 55.06 52.85 2k2e s HIS 154 Cb 0.16 -2.64 -0.13 0.00 1.11 0.00 0.00 32.58 31.08 2k2e s HIS 154 CO 0.75 -0.81 1.64 0.72 -0.85 0.00 0.00 174.74 176.19 2k2e n HIS 155 N 4.80 2.34 -3.67 1.40 -0.00 -1.24 -4.97 115.22 113.88 2k2e n HIS 155 Ca -0.10 0.19 -0.37 0.00 -0.00 0.00 0.00 57.72 57.45 2k2e n HIS 155 Cb 0.43 -2.58 -0.07 0.00 -0.00 0.00 0.00 29.99 27.78 2k2e n HIS 155 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k2e s HIS 156 N 1.40 3.56 -0.04 4.41 3.76 -1.26 -4.92 115.29 122.20 2k2e s HIS 156 Ca 0.80 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 2k2e s HIS 156 Cb -0.66 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.83 2k2e s HIS 156 CO 0.39 0.50 -0.02 1.58 -0.85 0.00 0.00 174.74 176.34 2k2e n HIS 157 N 2.65 0.00 -0.64 1.40 -0.00 -1.26 -4.91 115.22 112.46 2k2e n HIS 157 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2k2e n HIS 157 Cb 0.53 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 2k2e n HIS 157 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38