#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e n LYS 2 N 0.00 0.69 -3.23 0.03 5.02 -1.26 -4.95 118.16 114.47 2k2e n LYS 2 Ca 0.00 0.35 -0.35 0.00 -2.02 0.00 0.00 58.31 56.29 2k2e n LYS 2 Cb 0.00 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 2k2e n LYS 2 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k2e s LEU 3 N -7.28 4.28 -0.42 -0.35 2.96 -1.26 -5.05 118.68 111.56 2k2e s LEU 3 Ca -0.26 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2k2e s LEU 3 Cb 0.07 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.32 2k2e s LEU 3 CO 0.70 0.01 0.20 -2.28 -1.32 0.00 0.00 176.35 173.65 2k2e s HIS 4 N -1.61 2.43 0.43 5.38 5.65 -1.26 -5.12 115.29 121.19 2k2e s HIS 4 Ca 0.43 -2.55 -0.23 0.00 0.25 0.00 0.00 55.06 52.97 2k2e s HIS 4 Cb -0.14 -2.20 -0.09 0.00 -1.18 0.00 0.00 32.58 28.97 2k2e s HIS 4 CO 0.20 -0.81 1.03 0.95 -0.65 0.00 0.00 174.74 175.46 2k2e s THR 5 N 0.49 3.81 0.13 0.89 -4.23 -1.26 -5.02 115.64 110.46 2k2e s THR 5 Ca 0.15 1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 61.64 2k2e s THR 5 Cb -0.23 -3.61 -0.07 0.00 1.34 0.00 0.00 72.50 69.94 2k2e s THR 5 CO -0.05 -0.10 1.12 1.51 -0.54 0.00 0.00 174.62 176.56 2k2e s ASP 6 N -1.75 7.22 0.47 3.99 -4.77 -1.26 -5.01 116.67 115.56 2k2e s ASP 6 Ca 0.61 2.04 -0.23 0.00 -3.30 0.00 0.00 52.55 51.66 2k2e s ASP 6 Cb -0.19 -2.59 -0.07 0.00 -1.09 0.00 0.00 42.92 38.98 2k2e s ASP 6 CO 0.24 -0.30 1.26 -2.84 0.70 0.00 0.00 175.17 174.23 2k2e s PRO 7 N 0.14 3.62 0.72 2.11 0.02 -1.26 -5.04 135.00 135.31 2k2e s PRO 7 Ca 0.52 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.57 2k2e s PRO 7 Cb -0.29 -2.45 0.13 0.00 0.02 0.00 0.00 34.50 31.91 2k2e s PRO 7 CO 0.33 -0.73 0.99 0.00 -0.33 0.00 0.00 177.00 177.25 2k2e s ALA 8 N -1.39 3.86 0.41 -1.55 0.00 -1.26 -5.13 121.76 116.70 2k2e s ALA 8 Ca 0.64 -1.87 0.07 0.00 0.00 0.00 0.00 51.96 50.80 2k2e s ALA 8 Cb -0.35 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 2k2e s ALA 8 CO 0.42 -1.46 0.13 0.95 0.00 0.00 0.00 175.76 175.80 2k2e s THR 9 N -3.11 2.21 -0.03 0.00 -4.23 -1.26 -5.10 115.64 104.12 2k2e s THR 9 Ca 0.67 -1.79 -0.29 0.00 -1.18 0.00 0.00 61.69 59.10 2k2e s THR 9 Cb -0.05 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 2k2e s THR 9 CO 0.44 -0.00 0.94 0.00 -0.54 0.00 0.00 174.62 175.46 2k2e s ALA 10 N -2.63 3.23 -0.83 3.99 0.00 -0.77 -4.99 121.76 119.76 2k2e s ALA 10 Ca 0.39 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 2k2e s ALA 10 Cb 0.06 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 20.01 2k2e s ALA 10 CO 0.21 -0.28 1.02 -0.51 0.00 0.00 0.00 175.76 176.20 2k2e s LEU 11 N 1.16 5.08 -0.75 0.00 1.43 -1.26 -4.08 118.68 120.26 2k2e s LEU 11 Ca 0.49 -1.80 -0.27 0.00 -1.03 0.00 0.00 54.13 51.52 2k2e s LEU 11 Cb -0.20 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.67 2k2e s LEU 11 CO 0.25 -1.11 1.36 0.20 0.23 0.00 0.00 176.35 177.28 2k2e s ASN 12 N 3.54 6.09 -0.10 2.29 0.01 -1.26 -4.99 114.94 120.52 2k2e s ASN 12 Ca 0.27 -0.47 -0.02 0.00 -0.71 0.00 0.00 52.86 51.93 2k2e s ASN 12 Cb -0.10 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 2k2e s ASN 12 CO -0.04 -1.87 -0.03 -0.89 -1.51 0.00 0.00 177.10 172.76 2k2e s THR 13 N 6.05 4.06 -0.01 1.60 2.01 -1.26 -4.97 115.64 123.12 2k2e s THR 13 Ca 0.40 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 2k2e s THR 13 Cb -0.08 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2k2e s THR 13 CO 0.13 0.57 1.29 -0.69 -0.69 0.00 0.00 174.62 175.23 2k2e s VAL 14 N -0.50 3.97 -0.04 3.82 1.01 -1.26 -2.44 120.40 124.96 2k2e s VAL 14 Ca 0.08 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.42 2k2e s VAL 14 Cb -0.12 -3.86 -0.25 0.00 0.00 0.00 0.00 36.38 32.14 2k2e s VAL 14 CO 0.02 0.02 0.68 0.71 0.00 0.00 0.00 175.10 176.54 2k2e h THR 15 N 4.86 0.94 -2.59 3.92 1.35 -1.12 -3.46 112.91 116.80 2k2e h THR 15 Ca -0.37 -2.67 0.13 0.00 -0.55 0.00 0.00 66.41 62.94 2k2e h THR 15 Cb 1.18 2.58 -0.05 0.00 -1.73 0.00 0.00 68.15 70.13 2k2e h THR 15 CO 0.88 0.73 0.43 0.00 -0.25 0.00 0.00 175.52 177.31 2k2e s ALA 16 N -2.60 -1.43 -0.11 6.62 0.00 -1.15 -5.04 121.76 118.05 2k2e s ALA 16 Ca -0.10 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.74 2k2e s ALA 16 Cb 0.07 0.71 -0.11 0.00 0.00 0.00 0.00 23.12 23.79 2k2e s ALA 16 CO 0.82 -1.04 -0.01 0.66 0.00 0.00 0.00 175.76 176.19 2k2e n TYR 17 N -0.52 0.00 0.00 0.00 4.01 -1.26 -1.84 117.16 117.54 2k2e n TYR 17 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2k2e n TYR 17 Cb 0.60 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2k2e n TYR 17 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k2e n GLY 18 N 2.56 3.68 3.08 2.72 0.00 -1.26 -4.03 105.19 111.93 2k2e n GLY 18 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.00 -0.93 0.00 1.61 2.15 -1.26 -4.93 116.67 109.31 2k2e s ASP 19 Ca 0.00 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.47 2k2e s ASP 19 Cb 0.00 1.82 0.00 0.00 -0.30 0.00 0.00 42.92 44.44 2k2e s ASP 19 CO 0.00 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2k2e n GLY 20 N 5.41 0.70 3.82 2.66 0.00 -1.26 -5.04 105.19 111.47 2k2e n GLY 20 Ca -0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 0.03 -0.14 1.61 -0.85 -1.26 -4.78 117.35 109.96 2k2e s TYR 21 Ca 0.00 -0.63 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 2k2e s TYR 21 Cb 0.00 0.80 0.02 0.00 0.38 0.00 0.00 41.96 43.16 2k2e s TYR 21 CO 0.00 -1.45 -0.16 0.42 -1.52 0.00 0.00 175.55 172.84 2k2e s ILE 22 N -2.76 1.64 -0.38 -3.49 1.01 0.11 -4.63 121.20 112.70 2k2e s ILE 22 Ca 0.14 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 2k2e s ILE 22 Cb -0.05 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.94 2k2e s ILE 22 CO 0.10 0.47 0.21 -0.70 0.00 0.00 0.00 174.94 175.02 2k2e s GLU 23 N 1.25 2.75 -0.36 2.79 2.12 -0.77 -0.30 118.70 126.18 2k2e s GLU 23 Ca 0.00 -1.18 -0.06 0.00 0.36 0.00 0.00 54.97 54.09 2k2e s GLU 23 Cb -0.14 -3.72 0.06 0.00 0.26 0.00 0.00 34.13 30.59 2k2e s GLU 23 CO -0.07 -0.76 0.14 0.08 -0.54 0.00 0.00 175.26 174.11 2k2e s VAL 24 N 1.51 3.74 -1.17 3.70 1.01 -0.32 -0.49 120.40 128.38 2k2e s VAL 24 Ca 0.02 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 2k2e s VAL 24 Cb -0.20 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2k2e s VAL 24 CO 0.05 -0.31 0.91 -3.20 0.00 0.00 0.00 175.10 172.56 2k2e n ASN 25 N 4.79 -3.48 0.00 3.32 2.85 -1.02 -2.24 115.26 119.48 2k2e n ASN 25 Ca -0.11 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 53.66 2k2e n ASN 25 Cb 0.44 -4.86 0.00 0.00 1.24 0.00 0.00 39.78 36.60 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2e n GLN 26 N -3.89 0.00 -2.41 1.20 6.02 -1.26 -4.95 117.38 112.09 2k2e n GLN 26 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.35 2k2e n GLN 26 Cb 0.65 -1.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.98 4.20 -0.56 5.09 1.01 -0.95 -4.97 120.40 123.23 2k2e s VAL 27 Ca 0.00 1.50 -0.20 0.00 0.00 0.00 0.00 61.98 63.28 2k2e s VAL 27 Cb 0.00 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.49 2k2e s VAL 27 CO 0.00 -0.05 0.71 -0.13 0.00 0.00 0.00 175.10 175.63 2k2e s ARG 28 N 2.76 3.10 -0.30 2.72 0.52 -1.26 -1.18 118.95 125.31 2k2e s ARG 28 Ca 0.57 -1.01 -0.18 0.00 -0.52 0.00 0.00 55.73 54.59 2k2e s ARG 28 Cb -0.24 -4.18 -0.02 0.00 0.52 0.00 0.00 34.95 31.03 2k2e s ARG 28 CO 0.20 -1.43 0.50 -0.06 0.02 0.00 0.00 175.30 174.52 2k2e s PHE 29 N 2.89 3.23 -0.42 -0.53 0.08 0.59 -4.91 117.98 118.90 2k2e s PHE 29 Ca 0.15 0.43 0.10 0.00 0.12 0.00 0.00 56.93 57.74 2k2e s PHE 29 Cb -0.20 -2.78 0.62 0.00 -0.57 0.00 0.00 43.02 40.09 2k2e s PHE 29 CO 0.10 -0.38 1.46 0.43 -0.10 0.00 0.00 175.22 176.73 2k2e n SER 30 N 5.60 4.59 -3.83 1.36 7.64 -1.26 0.08 113.62 127.80 2k2e n SER 30 Ca -0.05 -2.73 -0.10 0.00 1.01 0.00 0.00 58.87 57.01 2k2e n SER 30 Cb 0.50 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.99 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k2e s HIS 31 N -2.35 0.12 0.52 1.43 -3.43 -1.26 -4.94 115.29 105.37 2k2e s HIS 31 Ca 0.42 -0.48 -0.22 0.00 -0.80 0.00 0.00 55.06 53.98 2k2e s HIS 31 Cb 0.32 0.14 -0.06 0.00 -1.43 0.00 0.00 32.58 31.55 2k2e s HIS 31 CO 0.12 -0.77 1.28 0.00 -2.00 0.00 0.00 174.74 173.37 2k2e s ALA 32 N -3.90 2.85 0.01 -1.38 0.00 -1.26 -4.84 121.76 113.25 2k2e s ALA 32 Ca 0.11 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 2k2e s ALA 32 Cb 0.02 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 2k2e s ALA 32 CO -0.04 -1.11 0.10 0.96 0.00 0.00 0.00 175.76 175.67 2k2e s ILE 33 N -1.40 0.10 -0.08 0.00 -4.36 -1.02 -1.92 121.20 112.52 2k2e s ILE 33 Ca 0.69 -0.81 0.01 0.00 -0.26 0.00 0.00 60.65 60.28 2k2e s ILE 33 Cb -0.36 -0.50 0.02 0.00 1.25 0.00 0.00 42.46 42.87 2k2e s ILE 33 CO 0.42 -0.45 -0.10 0.00 0.24 0.00 0.00 174.94 175.05 2k2e s ALA 34 N -1.66 1.22 0.03 2.27 0.00 0.22 -0.76 121.76 123.08 2k2e s ALA 34 Ca -0.13 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 2k2e s ALA 34 Cb -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2k2e s ALA 34 CO -0.00 -0.04 0.25 -0.59 0.00 0.00 0.00 175.76 175.38 2k2e s PHE 35 N 0.96 -0.05 0.05 0.00 -0.71 -0.55 -0.02 117.98 117.67 2k2e s PHE 35 Ca -0.09 -0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.73 2k2e s PHE 35 Cb -0.15 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2k2e s PHE 35 CO 0.00 -0.44 -0.03 0.00 -1.34 0.00 0.00 175.22 173.41 2k2e s ALA 36 N -2.21 0.52 0.26 1.99 0.00 -1.25 -1.88 121.76 119.19 2k2e s ALA 36 Ca -0.08 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 2k2e s ALA 36 Cb -0.02 0.25 0.46 0.00 0.00 0.00 0.00 23.12 23.81 2k2e s ALA 36 CO -0.02 -0.34 1.82 -1.35 0.00 0.00 0.00 175.76 175.87 2k2e h PRO 37 N 3.24 0.86 -3.96 0.00 0.11 -1.73 -3.30 132.00 127.23 2k2e h PRO 37 Ca -0.34 -0.05 -0.76 0.00 0.11 0.00 0.00 66.00 64.96 2k2e h PRO 37 Cb 1.15 -0.19 -0.27 0.00 0.11 0.00 0.00 31.00 31.79 2k2e h PRO 37 CO 0.64 0.57 -0.14 -2.00 -0.21 0.00 0.00 178.00 176.86 2k2e s GLU 38 N -6.00 3.08 0.00 1.05 2.12 -1.26 -1.85 118.70 115.84 2k2e s GLU 38 Ca -0.12 -2.14 0.00 0.00 0.36 0.00 0.00 54.97 53.07 2k2e s GLU 38 Cb 0.21 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2k2e s GLU 38 CO 0.79 -1.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2k2e n GLY 39 N 4.43 0.42 3.25 -1.50 0.00 -1.24 -5.10 105.19 105.44 2k2e n GLY 39 Ca 0.01 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 2k2e n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2e n PRO 40 N -0.91 0.49 -3.35 1.61 -0.04 -1.26 -4.71 135.00 126.82 2k2e n PRO 40 Ca 0.00 -2.51 -0.42 0.00 -0.04 0.00 0.00 63.50 60.53 2k2e n PRO 40 Cb 0.00 -0.30 -0.09 0.00 -0.04 0.00 0.00 33.50 33.07 2k2e n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 41 N -2.15 5.12 -0.13 0.52 1.01 -1.26 -3.91 120.40 119.62 2k2e s VAL 41 Ca 0.52 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2k2e s VAL 41 Cb -0.04 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2k2e s VAL 41 CO 0.33 -0.34 0.16 0.00 0.00 0.00 0.00 175.10 175.26 2k2e s ALA 42 N 2.06 3.83 -0.24 5.51 0.00 0.98 -4.94 121.76 128.95 2k2e s ALA 42 Ca 0.11 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 2k2e s ALA 42 Cb -0.17 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.91 2k2e s ALA 42 CO 0.13 0.52 1.09 0.45 0.00 0.00 0.00 175.76 177.95 2k2e s SER 43 N -0.77 7.02 -0.22 0.00 0.15 -1.26 -0.61 113.70 118.01 2k2e s SER 43 Ca 0.15 1.34 -0.12 0.00 0.70 0.00 0.00 55.95 58.01 2k2e s SER 43 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2k2e s SER 43 CO 0.04 -0.75 0.23 0.86 1.20 0.00 0.00 173.24 174.83 2k2e s TRP 44 N 3.39 3.35 -1.25 3.44 -0.00 -0.81 -4.92 118.94 122.14 2k2e s TRP 44 Ca 0.46 0.38 0.14 0.00 -0.00 0.00 0.00 56.10 57.08 2k2e s TRP 44 Cb -0.15 -2.34 0.68 0.00 -0.00 0.00 0.00 33.47 31.66 2k2e s TRP 44 CO 0.10 0.08 1.42 -2.30 -0.00 0.00 0.00 176.95 176.25 2k2e n PRO 45 N 4.21 0.12 -2.81 5.86 -0.02 -1.26 -4.27 135.00 136.83 2k2e n PRO 45 Ca -0.13 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 2k2e n PRO 45 Cb 0.52 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 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 -2.75 4.28 -1.39 -1.45 1.01 -1.26 -4.82 120.40 114.02 2k2e s VAL 46 Ca 0.11 0.03 0.22 0.00 0.00 0.00 0.00 61.98 62.34 2k2e s VAL 46 Cb 0.09 -4.65 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 2k2e s VAL 46 CO 0.23 -1.35 1.06 0.00 0.00 0.00 0.00 175.10 175.04 2k2e n GLN 47 N 7.81 0.45 -4.00 2.72 1.13 -1.26 -4.52 117.38 119.71 2k2e n GLN 47 Ca -0.00 -0.35 -0.12 0.00 -1.94 0.00 0.00 57.00 54.59 2k2e n GLN 47 Cb 0.47 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.20 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2k2e s ARG 48 N -2.80 0.30 0.00 -1.09 0.52 -1.26 -4.32 118.95 110.30 2k2e s ARG 48 Ca 0.13 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 2k2e s ARG 48 Cb 0.17 -0.08 0.30 0.00 0.52 0.00 0.00 34.95 35.86 2k2e s ARG 48 CO 0.73 0.01 1.21 -0.35 0.02 0.00 0.00 175.30 176.92 2k2e n PRO 49 N 2.10 0.00 0.00 3.54 -0.04 -1.26 -1.59 135.00 137.76 2k2e n PRO 49 Ca -0.19 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2k2e n PRO 49 Cb 0.57 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.75 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 50 N -1.49 3.02 -0.30 0.55 0.00 -1.26 -4.08 120.51 116.95 2k2e n ALA 50 Ca 0.02 -0.55 0.10 0.00 0.00 0.00 0.00 53.44 53.01 2k2e n ALA 50 Cb 0.08 -0.96 0.27 0.00 0.00 0.00 0.00 19.45 18.84 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 0.12 3.65 -4.69 0.00 9.92 -0.62 -4.97 116.55 119.96 2k2e n ASP 51 Ca 0.13 -2.00 -0.41 0.00 -0.53 0.00 0.00 54.79 51.98 2k2e n ASP 51 Cb 0.44 -0.41 -0.04 0.00 -0.64 0.00 0.00 41.12 40.47 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2k2e s ILE 52 N -1.01 4.94 0.27 0.53 1.01 -1.26 -4.87 121.20 120.81 2k2e s ILE 52 Ca 0.41 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.72 2k2e s ILE 52 Cb 0.22 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2k2e s ILE 52 CO 0.28 0.12 -0.00 0.42 0.00 0.00 0.00 174.94 175.76 2k2e s THR 53 N 1.55 1.25 0.27 2.92 -4.23 -1.26 -5.05 115.64 111.09 2k2e s THR 53 Ca 0.39 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2k2e s THR 53 Cb -0.17 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.43 2k2e s THR 53 CO 0.16 -0.23 1.93 0.00 -0.54 0.00 0.00 174.62 175.95 2k2e h ALA 54 N 2.32 1.35 -0.91 3.99 0.00 -1.97 -2.02 119.26 122.02 2k2e h ALA 54 Ca -0.39 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k2e h ALA 54 Cb 1.23 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2k2e h ALA 54 CO 0.67 0.58 0.59 0.77 0.00 0.00 0.00 179.25 181.86 2k2e h SER 55 N 1.25 1.06 0.69 0.00 0.02 -1.97 -1.80 113.55 112.80 2k2e h SER 55 Ca 0.36 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.16 2k2e h SER 55 Cb -0.08 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 2k2e h SER 55 CO -0.09 0.78 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.76 2k2e h LEU 56 N 1.24 0.00 -0.63 5.07 3.38 -1.81 -2.54 115.31 120.02 2k2e h LEU 56 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 2k2e h LEU 56 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2k2e h LEU 56 CO -0.07 0.54 -0.27 -0.07 0.09 0.00 0.00 178.44 178.66 2k2e h LEU 57 N 0.00 0.81 -0.88 1.67 3.38 -0.74 -0.91 115.31 118.63 2k2e h LEU 57 Ca -0.01 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2k2e h LEU 57 Cb 1.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2k2e h LEU 57 CO 0.07 1.03 0.38 1.56 0.09 0.00 0.00 178.44 181.57 2k2e h GLN 58 N 0.67 1.19 -0.52 1.13 4.20 -1.01 -1.38 115.11 119.39 2k2e h GLN 58 Ca 0.08 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 2k2e h GLN 58 Cb 0.80 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2k2e h GLN 58 CO 0.07 0.92 -0.00 1.96 -0.67 0.00 0.00 178.83 181.11 2k2e h GLN 59 N 1.17 0.92 0.00 1.46 4.20 -1.21 -2.81 115.11 118.84 2k2e h GLN 59 Ca 0.28 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2k2e h GLN 59 Cb 0.14 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2k2e h GLN 59 CO -0.03 0.94 -0.01 0.00 -0.67 0.00 0.00 178.83 179.06 2k2e h ALA 60 N 0.94 1.01 0.00 3.87 0.00 -0.71 -1.51 119.26 122.87 2k2e h ALA 60 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k2e h ALA 60 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k2e h ALA 60 CO 0.03 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2k2e n ALA 61 N -2.10 2.21 -0.91 0.00 0.00 -0.56 -4.88 120.51 114.27 2k2e n ALA 61 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k2e n ALA 61 Cb 0.26 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.92 0.49 1.60 0.00 0.00 -0.57 -4.70 105.19 102.93 2k2e n GLY 62 Ca 0.10 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.76 -3.79 0.99 4.77 -1.22 -4.73 117.00 117.78 2k2e n LEU 63 Ca 0.00 -2.41 -0.30 0.00 -0.03 0.00 0.00 56.01 53.27 2k2e n LEU 63 Cb 0.00 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.34 2k2e n LEU 63 CO 0.00 0.66 -0.29 0.00 -1.33 0.00 0.00 177.39 176.42 2k2e s ALA 64 N -2.20 2.12 -0.71 -1.18 0.00 -1.26 -4.96 121.76 113.58 2k2e s ALA 64 Ca 0.47 -2.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.00 2k2e s ALA 64 Cb 0.33 -1.82 0.15 0.00 0.00 0.00 0.00 23.12 21.79 2k2e s ALA 64 CO 0.18 -1.83 0.75 -1.21 0.00 0.00 0.00 175.76 173.65 2k2e s GLU 65 N 0.92 3.30 0.60 0.00 2.02 -1.26 -4.89 118.70 119.39 2k2e s GLU 65 Ca 0.13 -1.83 0.31 0.00 0.02 0.00 0.00 54.97 53.60 2k2e s GLU 65 Cb -0.21 -4.43 1.88 0.00 0.10 0.00 0.00 34.13 31.48 2k2e s GLU 65 CO -0.11 -1.46 2.27 0.28 0.02 0.00 0.00 175.26 176.26 2k2e h VAL 66 N 5.53 0.47 0.00 2.63 2.07 -2.01 -1.69 116.25 123.26 2k2e h VAL 66 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2k2e h VAL 66 Cb 1.06 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2k2e h VAL 66 CO 0.98 0.00 0.00 1.33 0.02 0.00 0.00 177.57 179.90 2k2e n VAL 67 N -3.77 0.75 -0.02 2.57 0.24 -1.26 -3.22 118.33 113.61 2k2e n VAL 67 Ca -0.03 0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 62.13 2k2e n VAL 67 Cb 0.09 -0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 31.34 2k2e n VAL 67 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2k2e h ARG 68 N 0.00 0.20 -4.87 7.34 3.08 -1.73 -3.50 114.38 114.90 2k2e h ARG 68 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2k2e h ARG 68 Cb 0.47 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2k2e h ARG 68 CO 0.00 1.16 -0.91 -3.47 -1.07 0.00 0.00 179.97 175.69 2k2e n ASP 69 N -3.78 -6.93 -4.70 7.04 2.03 -1.20 -4.91 116.55 104.11 2k2e n ASP 69 Ca -0.31 1.27 -0.42 0.00 0.52 0.00 0.00 54.79 55.84 2k2e n ASP 69 Cb 0.94 -4.83 -0.03 0.00 -0.72 0.00 0.00 41.12 36.49 2k2e n ASP 69 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2k2e s PRO 70 N -1.40 4.19 0.23 -0.67 0.02 -1.26 -4.90 135.00 131.21 2k2e s PRO 70 Ca -0.01 2.38 -0.07 0.00 0.02 0.00 0.00 61.00 63.32 2k2e s PRO 70 Cb 0.00 -3.47 0.26 0.00 0.02 0.00 0.00 34.50 31.31 2k2e s PRO 70 CO 0.69 -0.72 1.88 -0.07 -0.33 0.00 0.00 177.00 178.46 2k2e h LEU 71 N 8.08 0.93 -8.10 -5.54 3.38 -1.96 -3.45 115.31 108.66 2k2e h LEU 71 Ca -0.43 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 2k2e h LEU 71 Cb 1.20 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 2k2e h LEU 71 CO 0.93 0.64 -0.23 0.00 0.09 0.00 0.00 178.44 179.87 2k2e s ALA 72 N -6.10 -0.14 -1.64 1.53 0.00 -1.26 -5.01 121.76 109.14 2k2e s ALA 72 Ca -0.13 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.08 2k2e s ALA 72 Cb 0.17 0.95 0.27 0.00 0.00 0.00 0.00 23.12 24.51 2k2e s ALA 72 CO 0.79 -0.73 1.14 1.19 0.00 0.00 0.00 175.76 178.16 2k2e n PHE 73 N -0.28 0.49 -4.61 0.00 3.72 -1.26 -4.79 117.46 110.72 2k2e n PHE 73 Ca -0.06 -0.21 -0.23 0.00 -0.05 0.00 0.00 57.45 56.90 2k2e n PHE 73 Cb 0.63 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.94 2k2e n PHE 73 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k2e s LEU 74 N -1.01 1.85 -0.57 4.37 1.43 -1.26 -4.91 118.68 118.58 2k2e s LEU 74 Ca 0.19 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2k2e s LEU 74 Cb 0.11 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.58 2k2e s LEU 74 CO 0.11 0.11 0.61 0.47 0.23 0.00 0.00 176.35 177.88 2k2e n ASP 75 N 3.22 -7.41 -3.86 2.29 9.92 -1.26 -5.03 116.55 114.42 2k2e n ASP 75 Ca -0.18 0.15 -0.19 0.00 -0.53 0.00 0.00 54.79 54.05 2k2e n ASP 75 Cb 0.54 -5.01 -0.16 0.00 -0.64 0.00 0.00 41.12 35.84 2k2e n ASP 75 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2k2e s GLU 76 N -2.80 0.58 -0.75 -1.24 2.12 -1.26 -4.95 118.70 110.40 2k2e s GLU 76 Ca 0.09 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.35 2k2e s GLU 76 Cb -0.03 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 2k2e s GLU 76 CO 0.70 -0.10 1.93 -2.30 -0.54 0.00 0.00 175.26 174.94 2k2e n PRO 77 N 4.08 1.73 0.00 4.30 -0.02 -1.26 -4.78 135.00 139.06 2k2e n PRO 77 Ca -0.26 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 2k2e n PRO 77 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2k2e n PRO 77 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k2e n GLU 78 N 4.30 0.00 -1.01 -0.52 1.02 -1.26 -2.93 120.64 120.23 2k2e n GLU 78 Ca 0.37 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2k2e n GLU 78 Cb 0.12 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 31.72 2k2e n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k2e n ALA 79 N 0.14 4.84 0.00 0.62 0.00 -1.26 -4.94 120.51 119.91 2k2e n ALA 79 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.31 2k2e n ALA 79 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.11 1.80 3.33 0.00 0.00 -1.22 -4.57 105.19 103.42 2k2e n GLY 80 Ca 0.43 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.98 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 81 N 0.00 4.26 -1.41 4.61 0.00 -1.26 -4.21 121.76 123.75 2k2e s ALA 81 Ca 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 51.96 48.40 2k2e s ALA 81 Cb 0.00 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.68 2k2e s ALA 81 CO 0.00 -2.25 2.34 0.41 0.00 0.00 0.00 175.76 176.26 2k2e n GLY 82 N 3.60 4.73 0.15 0.00 0.00 -1.15 -4.49 105.19 108.02 2k2e n GLY 82 Ca 0.17 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e h ALA 83 N 5.27 0.94 -1.92 4.61 0.00 -1.93 -3.45 119.26 122.79 2k2e h ALA 83 Ca 0.63 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 2k2e h ALA 83 Cb 0.45 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 2k2e h ALA 83 CO 1.67 0.69 -0.62 -0.98 0.00 0.00 0.00 179.25 180.01 2k2e s ARG 84 N -3.54 1.74 1.23 0.00 1.70 -1.26 -5.15 118.95 113.67 2k2e s ARG 84 Ca -0.01 -1.96 -0.15 0.00 -0.47 0.00 0.00 55.73 53.14 2k2e s ARG 84 Cb 0.12 -1.19 0.31 0.00 -0.57 0.00 0.00 34.95 33.61 2k2e s ARG 84 CO 0.74 -0.10 1.01 -1.25 -1.08 0.00 0.00 175.30 174.62 2k2e s PRO 85 N -3.80 -1.42 0.57 3.89 0.04 -1.26 -4.80 135.00 128.22 2k2e s PRO 85 Ca 0.35 0.62 0.25 0.00 0.04 0.00 0.00 61.00 62.25 2k2e s PRO 85 Cb 0.08 -1.51 1.63 0.00 0.04 0.00 0.00 34.50 34.74 2k2e s PRO 85 CO 0.16 -4.00 2.21 0.00 0.04 0.00 0.00 177.00 175.41 2k2e h ALA 86 N -2.81 1.71 -4.61 8.56 0.00 -1.92 -3.46 119.26 116.73 2k2e h ALA 86 Ca -0.58 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.07 2k2e h ALA 86 Cb 1.34 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.25 2k2e h ALA 86 CO 0.46 -0.02 -0.54 0.09 0.00 0.00 0.00 179.25 179.25 2k2e n ASN 87 N -4.09 -3.14 -4.73 0.00 4.13 -1.26 -4.93 115.26 101.25 2k2e n ASN 87 Ca -0.03 -0.43 -0.40 0.00 1.68 0.00 0.00 54.58 55.40 2k2e n ASN 87 Cb 0.10 -3.84 0.02 0.00 -1.54 0.00 0.00 39.78 34.52 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2e n ALA 88 N -3.64 1.57 -1.22 5.41 0.00 -1.26 -4.99 120.51 116.38 2k2e n ALA 88 Ca -0.13 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 2k2e n ALA 88 Cb 0.60 -2.32 0.13 0.00 0.00 0.00 0.00 19.45 17.86 2k2e n ALA 88 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k2e s PRO 89 N -2.42 1.37 -0.18 0.00 0.04 -1.26 -5.01 135.00 127.54 2k2e s PRO 89 Ca 0.63 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2k2e s PRO 89 Cb -0.47 -1.82 -0.21 0.00 0.04 0.00 0.00 34.50 32.04 2k2e s PRO 89 CO 0.56 -2.17 0.17 0.39 0.04 0.00 0.00 177.00 175.99 2k2e n GLU 90 N -3.84 0.67 -3.88 4.56 1.02 0.17 -4.17 120.64 115.17 2k2e n GLU 90 Ca 0.07 0.35 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2k2e n GLU 90 Cb 0.55 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 30.15 2k2e n GLU 90 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k2e s VAL 91 N -2.49 0.05 -0.29 2.62 0.11 -1.04 -0.86 120.40 118.50 2k2e s VAL 91 Ca -0.28 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2k2e s VAL 91 Cb 0.07 -0.09 0.04 0.00 -1.53 0.00 0.00 36.38 34.88 2k2e s VAL 91 CO 0.67 0.05 0.01 -0.22 -3.33 0.00 0.00 175.10 172.27 2k2e s LEU 92 N 0.32 3.76 -0.45 2.54 2.96 0.70 -1.13 118.68 127.37 2k2e s LEU 92 Ca -0.03 -1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 52.63 2k2e s LEU 92 Cb -0.04 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.94 2k2e s LEU 92 CO -0.01 -0.22 0.49 -0.76 -1.32 0.00 0.00 176.35 174.53 2k2e s LEU 93 N 1.33 4.92 -0.45 -0.68 1.43 0.93 -0.27 118.68 125.88 2k2e s LEU 93 Ca -0.02 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.17 2k2e s LEU 93 Cb -0.19 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.68 2k2e s LEU 93 CO -0.01 -0.67 0.36 -0.69 0.23 0.00 0.00 176.35 175.57 2k2e s VAL 94 N 2.27 5.22 -0.75 -1.59 1.01 0.62 -0.49 120.40 126.69 2k2e s VAL 94 Ca 0.13 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2k2e s VAL 94 Cb -0.18 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2k2e s VAL 94 CO 0.13 -0.50 1.45 -0.83 0.00 0.00 0.00 175.10 175.35 2k2e s GLY 95 N 2.32 0.76 0.29 4.51 0.00 0.10 -0.95 107.32 114.34 2k2e s GLY 95 Ca 0.04 -1.34 0.23 0.00 0.00 0.00 0.00 44.72 43.66 2k2e s GLY 95 CO 0.08 2.85 1.69 2.41 0.00 0.00 0.00 173.10 180.13 2k2e n THR 96 N 6.67 0.91 0.00 0.90 -1.04 0.14 -2.02 114.28 119.85 2k2e n THR 96 Ca 0.12 0.43 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 2k2e n THR 96 Cb 0.50 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k2e n GLY 97 N -0.52 1.95 2.83 3.41 0.00 -1.26 -4.39 105.19 107.21 2k2e n GLY 97 Ca 0.01 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2k2e n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k2e n ARG 98 N 0.00 3.33 -1.07 1.61 0.63 -1.26 -4.65 116.66 115.25 2k2e n ARG 98 Ca 0.00 -3.19 0.06 0.00 -0.92 0.00 0.00 57.85 53.80 2k2e n ARG 98 Cb 0.00 -3.07 -0.03 0.00 0.45 0.00 0.00 32.46 29.81 2k2e n ARG 98 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k2e n ARG 99 N 4.78 -2.67 -1.84 -0.14 1.74 -1.26 -4.82 116.66 112.44 2k2e n ARG 99 Ca 0.44 2.12 -0.42 0.00 -0.77 0.00 0.00 57.85 59.23 2k2e n ARG 99 Cb 0.37 -2.81 -0.03 0.00 -1.02 0.00 0.00 32.46 28.98 2k2e n ARG 99 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2k2e s GLN 100 N -4.53 4.17 -0.07 5.56 0.74 -1.26 -4.69 119.66 119.58 2k2e s GLN 100 Ca 0.00 2.47 0.02 0.00 0.05 0.00 0.00 55.36 57.90 2k2e s GLN 100 Cb 0.00 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 2k2e s GLN 100 CO 0.00 -0.70 -0.12 -1.01 -0.55 0.00 0.00 175.29 172.92 2k2e s HIS 101 N 1.50 2.80 -0.74 1.67 3.76 -1.26 -5.01 115.29 118.01 2k2e s HIS 101 Ca 0.73 -0.19 -0.21 0.00 -0.15 0.00 0.00 55.06 55.24 2k2e s HIS 101 Cb -0.46 -1.70 0.09 0.00 1.11 0.00 0.00 32.58 31.62 2k2e s HIS 101 CO 0.32 0.16 1.01 -0.51 -0.85 0.00 0.00 174.74 174.87 2k2e s LEU 102 N -0.54 4.56 0.90 0.89 2.01 -1.26 -4.71 118.68 120.52 2k2e s LEU 102 Ca 0.08 -1.29 -0.13 0.00 0.01 0.00 0.00 54.13 52.80 2k2e s LEU 102 Cb -0.12 -2.41 0.13 0.00 0.01 0.00 0.00 46.19 43.80 2k2e s LEU 102 CO 0.02 -1.34 1.16 -0.76 1.01 0.00 0.00 176.35 176.44 2k2e s LEU 103 N 3.70 2.14 -0.02 1.79 1.43 -1.26 -5.06 118.68 121.40 2k2e s LEU 103 Ca 0.25 0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2k2e s LEU 103 Cb -0.13 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2k2e s LEU 103 CO 0.04 -2.44 0.04 -0.83 0.23 0.00 0.00 176.35 173.39 2k2e s GLY 104 N -4.22 1.94 0.36 -3.19 0.00 -1.26 -5.01 107.32 95.95 2k2e s GLY 104 Ca 0.64 -0.88 0.08 0.00 0.00 0.00 0.00 44.72 44.56 2k2e s GLY 104 CO 0.52 -0.73 1.92 -2.55 0.00 0.00 0.00 173.10 172.26 2k2e h PRO 105 N 4.39 0.68 0.00 2.90 0.11 -1.97 -2.23 132.00 135.88 2k2e h PRO 105 Ca -0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 2k2e h PRO 105 Cb 1.18 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2k2e h PRO 105 CO 0.59 0.45 -0.16 0.93 -0.21 0.00 0.00 178.00 179.60 2k2e h GLU 106 N 0.70 0.00 -0.00 1.05 4.39 -2.00 0.12 114.58 118.84 2k2e h GLU 106 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2k2e h GLU 106 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2k2e h GLU 106 CO -0.15 0.16 -0.41 1.04 -1.16 0.00 0.00 179.01 178.50 2k2e n GLN 107 N -4.18 0.02 -0.05 2.33 6.02 -0.84 -3.55 117.38 117.12 2k2e n GLN 107 Ca -0.02 -0.01 0.03 0.00 -0.01 0.00 0.00 57.00 56.99 2k2e n GLN 107 Cb 0.24 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.05 2k2e n GLN 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2k2e n VAL 108 N -1.48 0.51 -0.00 5.09 0.24 -0.50 -4.33 118.33 117.86 2k2e n VAL 108 Ca 0.06 -0.76 -0.09 0.00 -2.04 0.00 0.00 64.34 61.51 2k2e n VAL 108 Cb 0.34 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 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 1.10 -0.25 -1.00 7.34 2.47 -0.87 0.66 114.38 123.83 2k2e h ARG 109 Ca 0.00 0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.89 2k2e h ARG 109 Cb 0.44 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.72 2k2e h ARG 109 CO 0.00 -0.16 0.62 -1.35 0.56 0.00 0.00 179.97 179.64 2k2e h PRO 110 N -0.26 0.86 0.14 0.04 0.11 -1.85 0.52 132.00 131.56 2k2e h PRO 110 Ca 0.10 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.91 2k2e h PRO 110 Cb 0.41 -0.19 0.03 0.00 0.11 0.00 0.00 31.00 31.35 2k2e h PRO 110 CO -0.29 0.57 -1.06 -0.07 -0.21 0.00 0.00 178.00 176.94 2k2e h LEU 111 N 0.88 0.69 -1.25 2.35 3.38 -1.76 -3.05 115.31 116.56 2k2e h LEU 111 Ca 0.52 -0.88 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2k2e h LEU 111 Cb 0.66 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2k2e h LEU 111 CO -0.30 1.51 0.41 -0.07 0.09 0.00 0.00 178.44 180.08 2k2e h LEU 112 N -0.02 0.81 -1.57 1.67 3.38 -0.43 0.16 115.31 119.30 2k2e h LEU 112 Ca -0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2k2e h LEU 112 Cb 1.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2k2e h LEU 112 CO 0.20 0.63 -0.22 0.00 0.09 0.00 0.00 178.44 179.14 2k2e h ALA 113 N 1.51 1.62 0.00 1.53 0.00 -0.93 -1.37 119.26 121.62 2k2e h ALA 113 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k2e h ALA 113 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k2e h ALA 113 CO -0.05 0.27 -0.28 0.52 0.00 0.00 0.00 179.25 179.72 2k2e h MET 114 N 0.00 0.00 0.00 0.00 2.86 -1.10 -3.47 114.93 113.22 2k2e h MET 114 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k2e h MET 114 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2k2e h MET 114 CO 0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 2k2e n GLY 115 N 1.30 0.99 3.54 8.32 0.00 -0.51 -5.00 105.19 113.83 2k2e n GLY 115 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 4.50 -0.51 1.61 1.01 0.42 -4.71 120.40 120.72 2k2e s VAL 116 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 2k2e s VAL 116 Cb 0.00 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.96 2k2e s VAL 116 CO 0.00 -0.89 1.36 -0.83 0.00 0.00 0.00 175.10 174.74 2k2e s GLY 117 N 2.42 1.02 -0.42 4.51 0.00 -0.04 -3.55 107.32 111.26 2k2e s GLY 117 Ca 0.33 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 44.29 2k2e s GLY 117 CO 0.23 2.72 0.82 0.14 0.00 0.00 0.00 173.10 177.01 2k2e s VAL 118 N 5.58 4.63 -0.24 1.40 1.01 -1.26 -0.22 120.40 131.30 2k2e s VAL 118 Ca 0.53 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 2k2e s VAL 118 Cb -0.11 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2k2e s VAL 118 CO 0.28 -0.64 -0.03 -1.61 0.00 0.00 0.00 175.10 173.10 2k2e s GLU 119 N 3.34 3.13 -0.32 2.72 0.41 0.62 -4.96 118.70 123.64 2k2e s GLU 119 Ca 0.32 -0.79 -0.11 0.00 -0.41 0.00 0.00 54.97 53.98 2k2e s GLU 119 Cb -0.12 -3.05 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 2k2e s GLU 119 CO 0.21 -0.31 0.20 0.00 -0.49 0.00 0.00 175.26 174.87 2k2e s ALA 120 N 1.42 3.40 0.10 5.21 0.00 -1.26 -0.27 121.76 130.36 2k2e s ALA 120 Ca 0.03 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2k2e s ALA 120 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 2k2e s ALA 120 CO -0.03 -0.90 0.08 -1.33 0.00 0.00 0.00 175.76 173.58 2k2e n MET 121 N 5.05 0.16 -1.51 0.00 2.81 -0.13 -4.35 117.12 119.15 2k2e n MET 121 Ca -0.13 -0.97 -0.32 0.00 -1.81 0.00 0.00 57.70 54.47 2k2e n MET 121 Cb 0.50 0.78 0.07 0.00 -0.71 0.00 0.00 33.22 33.85 2k2e n MET 121 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k2e s ASP 122 N -1.68 4.79 0.16 7.83 1.11 -1.26 0.29 116.67 127.91 2k2e s ASP 122 Ca 0.11 1.93 -0.16 0.00 0.18 0.00 0.00 52.55 54.61 2k2e s ASP 122 Cb 0.01 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.48 2k2e s ASP 122 CO 0.08 -1.84 1.81 0.74 1.18 0.00 0.00 175.17 177.14 2k2e h THR 123 N -0.53 1.11 -0.66 -1.27 2.02 -1.82 0.63 112.91 112.39 2k2e h THR 123 Ca -0.45 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2k2e h THR 123 Cb 1.24 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2k2e h THR 123 CO 0.53 0.11 0.18 -0.61 0.37 0.00 0.00 175.52 176.09 2k2e h GLN 124 N 0.56 1.04 -0.62 6.66 4.15 -1.96 -0.54 115.11 124.41 2k2e h GLN 124 Ca 0.15 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 2k2e h GLN 124 Cb -0.06 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 2k2e h GLN 124 CO -0.03 0.93 0.16 0.00 -1.93 0.00 0.00 178.83 177.95 2k2e h ALA 125 N 1.07 0.81 -0.49 3.38 0.00 -1.80 -0.62 119.26 121.61 2k2e h ALA 125 Ca 0.21 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2k2e h ALA 125 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k2e h ALA 125 CO -0.00 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 2k2e h ALA 126 N 1.05 0.67 -0.51 0.00 0.00 -0.72 -2.49 119.26 117.26 2k2e h ALA 126 Ca 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k2e h ALA 126 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k2e h ALA 126 CO 0.00 0.54 0.18 0.00 0.00 0.00 0.00 179.25 179.98 2k2e h ALA 127 N 0.90 0.67 -0.12 0.00 0.00 -0.76 0.80 119.26 120.76 2k2e h ALA 127 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k2e h ALA 127 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k2e h ALA 127 CO 0.04 0.30 0.05 -0.09 0.00 0.00 0.00 179.25 179.55 2k2e h ARG 128 N 0.69 0.17 -0.70 0.00 2.43 -1.09 0.16 114.38 116.05 2k2e h ARG 128 Ca 0.17 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2k2e h ARG 128 Cb 0.24 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2k2e h ARG 128 CO -0.01 0.25 0.29 1.15 -1.51 0.00 0.00 179.97 180.14 2k2e h THR 129 N 0.05 1.24 -0.47 0.20 2.02 -1.31 -2.44 112.91 112.19 2k2e h THR 129 Ca 0.04 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2k2e h THR 129 Cb 0.14 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2k2e h THR 129 CO -0.00 0.29 0.18 0.22 0.37 0.00 0.00 175.52 176.58 2k2e h TYR 130 N 1.01 0.73 -0.52 3.16 3.20 -0.55 -2.41 116.97 121.59 2k2e h TYR 130 Ca 0.24 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.12 2k2e h TYR 130 Cb 0.17 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 2k2e h TYR 130 CO 0.01 0.62 0.18 -0.97 -1.64 0.00 0.00 178.16 176.36 2k2e h ASN 131 N 0.63 0.17 0.22 -2.11 -1.24 -0.50 0.41 115.58 113.15 2k2e h ASN 131 Ca 0.16 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 2k2e h ASN 131 Cb 0.21 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2k2e h ASN 131 CO -0.01 0.12 -0.11 0.40 -1.29 0.00 0.00 177.43 176.54 2k2e h ILE 132 N 0.35 0.80 -0.06 2.57 2.04 -1.33 -1.54 117.51 120.35 2k2e h ILE 132 Ca 0.25 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 2k2e h ILE 132 Cb 0.29 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2k2e h ILE 132 CO -0.27 0.02 -0.48 -0.07 0.00 0.00 0.00 178.15 177.36 2k2e h LEU 133 N -0.34 0.15 -0.39 1.44 3.38 -1.01 -0.50 115.31 118.04 2k2e h LEU 133 Ca -0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2k2e h LEU 133 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k2e h LEU 133 CO 0.05 0.60 -0.05 -0.03 0.09 0.00 0.00 178.44 179.11 2k2e h MET 134 N 0.11 0.72 -0.50 1.13 4.05 -0.07 0.17 114.93 120.54 2k2e h MET 134 Ca 0.00 -0.25 -0.11 0.00 -0.28 0.00 0.00 59.70 59.06 2k2e h MET 134 Cb 0.89 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.62 2k2e h MET 134 CO 0.07 0.84 -0.13 0.00 0.23 0.00 0.00 176.91 177.92 2k2e h ALA 135 N 0.86 0.83 -0.56 0.39 0.00 -1.04 -2.62 119.26 117.11 2k2e h ALA 135 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2k2e h ALA 135 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2k2e h ALA 135 CO 0.03 0.65 0.18 1.49 0.00 0.00 0.00 179.25 181.60 2k2e h GLU 136 N 0.84 0.84 -0.11 0.00 4.57 -0.92 -3.47 114.58 116.33 2k2e h GLU 136 Ca 0.13 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k2e h GLU 136 Cb 0.67 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2k2e h GLU 136 CO 0.05 0.73 0.00 0.41 -1.18 0.00 0.00 179.01 179.01 2k2e n GLY 137 N -0.94 1.27 3.95 1.92 0.00 0.48 -5.08 105.19 106.79 2k2e n GLY 137 Ca 0.04 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2k2e n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2e s ARG 138 N -1.14 3.28 -1.30 1.61 3.52 -0.45 -5.00 118.95 119.47 2k2e s ARG 138 Ca 0.00 -0.87 -0.18 0.00 -0.13 0.00 0.00 55.73 54.55 2k2e s ARG 138 Cb 0.00 -2.82 0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2k2e s ARG 138 CO 0.00 0.33 1.85 0.54 -0.81 0.00 0.00 175.30 177.21 2k2e n ARG 139 N -1.44 2.91 -4.66 5.12 1.74 -1.26 -4.70 116.66 114.37 2k2e n ARG 139 Ca -0.07 -3.03 -0.33 0.00 -0.77 0.00 0.00 57.85 53.65 2k2e n ARG 139 Cb 0.57 -3.47 -0.13 0.00 -1.02 0.00 0.00 32.46 28.41 2k2e n ARG 139 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k2e s VAL 140 N 4.84 3.40 -0.09 1.55 0.11 -1.26 -0.65 120.40 128.30 2k2e s VAL 140 Ca 0.54 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2k2e s VAL 140 Cb 0.06 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 2k2e s VAL 140 CO 0.06 0.54 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.51 2k2e s VAL 141 N 0.01 2.79 -0.06 2.04 1.01 -0.29 -4.19 120.40 121.72 2k2e s VAL 141 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.23 2k2e s VAL 141 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2k2e s VAL 141 CO 0.04 0.56 -0.23 0.54 0.00 0.00 0.00 175.10 176.00 2k2e s VAL 142 N -0.08 2.22 -0.21 2.92 0.11 -0.79 -0.05 120.40 124.53 2k2e s VAL 142 Ca -0.03 -1.01 -0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2k2e s VAL 142 Cb -0.14 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 32.91 2k2e s VAL 142 CO 0.04 0.57 -0.14 0.00 -3.33 0.00 0.00 175.10 172.24 2k2e s ALA 143 N -0.19 2.51 -0.24 1.54 0.00 0.35 -1.48 121.76 124.26 2k2e s ALA 143 Ca -0.02 -1.33 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 2k2e s ALA 143 Cb -0.14 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2k2e s ALA 143 CO 0.03 -0.56 0.04 -0.51 0.00 0.00 0.00 175.76 174.77 2k2e s LEU 144 N 1.30 3.33 -0.19 0.00 1.43 0.06 0.00 118.68 124.60 2k2e s LEU 144 Ca 0.02 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2k2e s LEU 144 Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2k2e s LEU 144 CO -0.09 -0.02 0.11 -0.76 0.23 0.00 0.00 176.35 175.82 2k2e s LEU 145 N 1.53 4.11 -0.58 1.79 1.43 -0.85 -2.44 118.68 123.67 2k2e s LEU 145 Ca 0.06 0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 2k2e s LEU 145 Cb -0.15 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2k2e s LEU 145 CO 0.02 0.18 1.11 -2.16 0.23 0.00 0.00 176.35 175.73 2k2e s PRO 146 N 0.35 3.44 -0.46 1.29 0.05 -1.26 -4.19 135.00 134.21 2k2e s PRO 146 Ca 0.07 0.05 -0.27 0.00 0.05 0.00 0.00 61.00 60.90 2k2e s PRO 146 Cb -0.11 -4.04 -0.07 0.00 0.05 0.00 0.00 34.50 30.33 2k2e s PRO 146 CO -0.01 -1.63 2.40 -3.47 0.05 0.00 0.00 177.00 174.33 2k2e n ASP 147 N 8.14 2.41 0.00 6.66 2.03 -1.26 -3.46 116.55 131.07 2k2e n ASP 147 Ca 0.06 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.98 2k2e n ASP 147 Cb 0.48 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2e n GLY 148 N 5.99 0.03 3.58 0.27 0.00 -1.26 -4.95 105.19 108.86 2k2e n GLY 148 Ca 0.37 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.40 2k2e n GLY 148 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2e n ASP 149 N 0.00 -2.84 0.19 1.61 2.03 -1.22 -4.90 116.55 111.42 2k2e n ASP 149 Ca 0.00 -0.80 0.07 0.00 0.52 0.00 0.00 54.79 54.57 2k2e n ASP 149 Cb 0.00 -4.30 0.31 0.00 -0.72 0.00 0.00 41.12 36.42 2k2e n ASP 149 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k2e h SER 150 N -1.74 0.00 -3.52 1.67 0.02 -1.92 -3.42 113.55 104.63 2k2e h SER 150 Ca -0.62 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.77 2k2e h SER 150 Cb 1.35 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 2k2e h SER 150 CO 0.52 0.34 0.99 -0.76 -1.14 0.00 0.00 176.83 176.78 2k2e s LEU 151 N -6.83 3.60 -0.52 5.07 1.43 -1.26 -4.96 118.68 115.21 2k2e s LEU 151 Ca 0.01 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.41 2k2e s LEU 151 Cb 0.10 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.81 2k2e s LEU 151 CO 0.68 -1.34 1.39 -1.61 0.23 0.00 0.00 176.35 175.70 2k2e s GLU 152 N 4.69 3.39 -0.13 1.70 2.02 -1.26 -4.95 118.70 124.16 2k2e s GLU 152 Ca 0.53 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.79 2k2e s GLU 152 Cb -0.10 -4.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 2k2e s GLU 152 CO 0.32 -1.82 1.69 -1.01 0.02 0.00 0.00 175.26 174.45 2k2e s HIS 153 N 5.81 1.95 -0.17 1.61 3.76 -1.24 -4.86 115.29 122.15 2k2e s HIS 153 Ca 0.54 0.34 0.29 0.00 -0.15 0.00 0.00 55.06 56.08 2k2e s HIS 153 Cb -0.11 -3.96 1.00 0.00 1.11 0.00 0.00 32.58 30.63 2k2e s HIS 153 CO 0.27 -3.54 1.84 1.25 -0.85 0.00 0.00 174.74 173.70 2k2e h HIS 154 N 10.44 0.00 -0.15 1.40 2.76 -1.91 -2.35 115.15 125.35 2k2e h HIS 154 Ca -0.37 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.70 2k2e h HIS 154 Cb 1.17 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 2k2e h HIS 154 CO 0.90 0.00 0.12 1.58 -1.30 0.00 0.00 177.93 179.23 2k2e n HIS 155 N -2.94 0.47 -0.77 5.26 -0.00 -1.26 -4.78 115.22 111.20 2k2e n HIS 155 Ca 0.02 -1.09 0.00 0.00 -0.00 0.00 0.00 57.72 56.65 2k2e n HIS 155 Cb 0.37 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 29.82 2k2e n HIS 155 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k2e n HIS 156 N 0.83 0.00 -0.09 1.57 -0.00 -0.88 -5.07 115.22 111.58 2k2e n HIS 156 Ca 0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.69 2k2e n HIS 156 Cb 0.58 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.51 2k2e n HIS 156 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k2e n HIS 157 N 0.06 0.88 -1.09 1.57 -0.00 -1.25 -4.81 115.22 110.58 2k2e n HIS 157 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 2k2e n HIS 157 Cb 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 29.99 29.11 2k2e n HIS 157 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92