#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 0.39 -6.03 0.03 3.64 -2.08 -3.41 116.57 109.11 2k2e h LYS 2 Ca 0.00 -0.11 -0.61 0.00 -1.27 0.00 0.00 60.65 58.66 2k2e h LYS 2 Cb 0.00 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2k2e h LYS 2 CO 0.00 0.55 -0.30 -0.51 -2.27 0.00 0.00 179.45 176.92 2k2e s LEU 3 N -8.77 4.36 -0.32 5.20 2.01 -1.26 -4.99 118.68 114.91 2k2e s LEU 3 Ca -0.06 0.71 0.04 0.00 0.01 0.00 0.00 54.13 54.82 2k2e s LEU 3 Cb 0.15 -2.85 0.51 0.00 0.01 0.00 0.00 46.19 44.01 2k2e s LEU 3 CO 0.76 0.21 1.66 1.41 1.01 0.00 0.00 176.35 181.40 2k2e n HIS 4 N 1.02 2.22 -3.50 0.29 8.25 -1.26 -4.86 115.22 117.37 2k2e n HIS 4 Ca -0.09 -1.40 -0.16 0.00 -0.26 0.00 0.00 57.72 55.80 2k2e n HIS 4 Cb 0.52 -0.73 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 2k2e n HIS 4 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2k2e s THR 5 N -2.44 0.00 0.64 1.59 -1.32 -1.26 -5.14 115.64 107.71 2k2e s THR 5 Ca 0.42 -0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 60.75 2k2e s THR 5 Cb 0.35 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 2k2e s THR 5 CO 0.09 -0.01 1.06 -1.81 -2.21 0.00 0.00 174.62 171.73 2k2e s ASP 6 N -1.62 5.59 -0.21 8.08 1.11 -1.26 -4.93 116.67 123.44 2k2e s ASP 6 Ca -0.08 1.72 -0.35 0.00 0.18 0.00 0.00 52.55 54.02 2k2e s ASP 6 Cb -0.00 -2.51 -0.12 0.00 1.07 0.00 0.00 42.92 41.35 2k2e s ASP 6 CO 0.04 -1.30 1.95 -2.65 1.18 0.00 0.00 175.17 174.38 2k2e n PRO 7 N -2.56 1.66 -2.13 8.23 -0.02 -1.26 -4.88 135.00 134.06 2k2e n PRO 7 Ca 0.08 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2k2e n PRO 7 Cb 0.53 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e s ALA 8 N 5.00 3.32 0.46 3.55 0.00 -1.26 -4.98 121.76 127.84 2k2e s ALA 8 Ca 0.99 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 2k2e s ALA 8 Cb -0.80 -3.83 -0.08 0.00 0.00 0.00 0.00 23.12 18.41 2k2e s ALA 8 CO 0.54 -1.87 1.12 0.99 0.00 0.00 0.00 175.76 176.53 2k2e s THR 9 N 5.02 3.34 0.21 0.00 2.01 -1.26 -4.95 115.64 120.00 2k2e s THR 9 Ca 0.70 0.97 -0.32 0.00 0.31 0.00 0.00 61.69 63.35 2k2e s THR 9 Cb -0.25 -3.47 -0.13 0.00 0.01 0.00 0.00 72.50 68.66 2k2e s THR 9 CO 0.28 -0.05 1.61 0.00 -0.69 0.00 0.00 174.62 175.77 2k2e n ALA 10 N -0.52 1.99 -1.70 7.40 0.00 -1.26 -4.85 120.51 121.56 2k2e n ALA 10 Ca 0.07 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 2k2e n ALA 10 Cb 0.49 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 0.70 3.41 -0.40 0.00 1.43 -1.26 -4.90 118.68 117.66 2k2e s LEU 11 Ca 0.74 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 54.79 2k2e s LEU 11 Cb -0.59 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 2k2e s LEU 11 CO 0.39 -2.39 1.70 0.21 0.23 0.00 0.00 176.35 176.49 2k2e s ASN 12 N 9.67 5.91 0.05 2.29 2.47 -1.26 -4.98 114.94 129.09 2k2e s ASN 12 Ca 0.91 1.00 0.05 0.00 0.42 0.00 0.00 52.86 55.25 2k2e s ASN 12 Cb -0.22 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 2k2e s ASN 12 CO 0.29 -1.74 -0.08 -0.89 -3.72 0.00 0.00 177.10 170.95 2k2e s THR 13 N 6.83 3.52 -0.04 -5.21 2.01 -1.26 -4.70 115.64 116.79 2k2e s THR 13 Ca 0.72 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 2k2e s THR 13 Cb -0.18 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2k2e s THR 13 CO 0.31 0.27 1.27 -0.69 -0.69 0.00 0.00 174.62 175.09 2k2e s VAL 14 N -1.09 4.08 -0.12 3.82 1.01 -1.26 -4.45 120.40 122.39 2k2e s VAL 14 Ca 0.19 1.42 -0.21 0.00 0.00 0.00 0.00 61.98 63.39 2k2e s VAL 14 Cb -0.11 -3.92 -0.27 0.00 0.00 0.00 0.00 36.38 32.09 2k2e s VAL 14 CO 0.10 -0.01 0.62 0.71 0.00 0.00 0.00 175.10 176.52 2k2e h THR 15 N 5.00 1.27 -2.75 3.92 1.35 -1.89 -3.49 112.91 116.31 2k2e h THR 15 Ca -0.35 -2.38 -0.07 0.00 -0.55 0.00 0.00 66.41 63.05 2k2e h THR 15 Cb 1.16 2.87 -0.17 0.00 -1.73 0.00 0.00 68.15 70.29 2k2e h THR 15 CO 0.89 0.62 -0.03 0.00 -0.25 0.00 0.00 175.52 176.76 2k2e s ALA 16 N -2.40 -1.22 -0.21 6.62 0.00 -1.22 -5.08 121.76 118.25 2k2e s ALA 16 Ca -0.20 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 2k2e s ALA 16 Cb 0.02 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2k2e s ALA 16 CO 0.74 -0.43 0.49 0.71 0.00 0.00 0.00 175.76 177.27 2k2e s TYR 17 N -2.04 3.35 -1.22 0.00 1.51 -1.26 -2.33 117.35 115.35 2k2e s TYR 17 Ca -0.08 0.71 0.24 0.00 -1.01 0.00 0.00 57.07 56.93 2k2e s TYR 17 Cb -0.01 -2.65 0.29 0.00 -0.11 0.00 0.00 41.96 39.48 2k2e s TYR 17 CO 0.01 -0.12 1.27 0.41 -1.11 0.00 0.00 175.55 176.01 2k2e n GLY 18 N 4.01 -0.95 2.77 0.71 0.00 -0.11 -4.96 105.19 106.65 2k2e n GLY 18 Ca -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 2k2e n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2e n ASP 19 N -1.22 -8.03 0.00 1.61 2.03 -1.26 -4.39 116.55 105.29 2k2e n ASP 19 Ca 0.07 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2k2e n ASP 19 Cb 0.35 -5.37 0.00 0.00 -0.72 0.00 0.00 41.12 35.38 2k2e n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2e n GLY 20 N 0.35 2.72 3.32 0.27 0.00 -1.26 -4.90 105.19 105.69 2k2e n GLY 20 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.47 -0.23 -0.12 1.61 1.13 -1.26 -4.69 117.35 111.33 2k2e s TYR 21 Ca 0.00 0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 55.71 2k2e s TYR 21 Cb 0.00 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 41.07 2k2e s TYR 21 CO 0.00 -0.63 -0.09 0.42 -2.51 0.00 0.00 175.55 172.74 2k2e s ILE 22 N -3.11 3.44 -0.26 -3.49 1.01 0.08 -0.93 121.20 117.94 2k2e s ILE 22 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 2k2e s ILE 22 Cb 0.01 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2k2e s ILE 22 CO -0.07 0.54 0.15 -0.70 0.00 0.00 0.00 174.94 174.86 2k2e s GLU 23 N -0.00 3.92 -0.40 2.79 2.12 -0.99 -0.13 118.70 126.01 2k2e s GLU 23 Ca -0.02 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.01 2k2e s GLU 23 Cb -0.14 -3.53 0.11 0.00 0.26 0.00 0.00 34.13 30.84 2k2e s GLU 23 CO 0.03 -0.09 0.13 0.08 -0.54 0.00 0.00 175.26 174.88 2k2e s VAL 24 N 1.44 2.18 -1.03 3.70 1.01 0.34 -2.70 120.40 125.35 2k2e s VAL 24 Ca 0.07 -2.59 -0.03 0.00 0.00 0.00 0.00 61.98 59.43 2k2e s VAL 24 Cb -0.15 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2k2e s VAL 24 CO 0.07 -0.69 0.88 -3.20 0.00 0.00 0.00 175.10 172.16 2k2e n ASN 25 N 3.89 -4.67 0.00 3.32 5.15 -1.26 -2.39 115.26 119.30 2k2e n ASN 25 Ca 0.04 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 2k2e n ASN 25 Cb 0.38 -4.86 0.00 0.00 -0.53 0.00 0.00 39.78 34.77 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e n GLN 26 N -3.42 0.00 -2.96 1.20 6.02 -1.26 -4.95 117.38 112.01 2k2e n GLN 26 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.43 2k2e n GLN 26 Cb 0.63 -2.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.10 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 -2.23 4.80 -0.52 5.09 1.01 -1.01 -5.01 120.40 122.54 2k2e s VAL 27 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 2k2e s VAL 27 Cb 0.00 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.33 2k2e s VAL 27 CO 0.00 -0.25 0.51 -0.13 0.00 0.00 0.00 175.10 175.24 2k2e s ARG 28 N 2.94 3.02 -0.37 2.72 0.52 -1.26 -0.50 118.95 126.01 2k2e s ARG 28 Ca 0.32 -1.36 -0.22 0.00 -0.52 0.00 0.00 55.73 53.95 2k2e s ARG 28 Cb -0.14 -4.19 0.01 0.00 0.52 0.00 0.00 34.95 31.14 2k2e s ARG 28 CO 0.13 -1.22 0.71 -0.06 0.02 0.00 0.00 175.30 174.87 2k2e s PHE 29 N 1.97 3.12 -0.41 -0.53 0.08 0.81 -4.90 117.98 118.13 2k2e s PHE 29 Ca 0.07 0.40 0.04 0.00 0.12 0.00 0.00 56.93 57.56 2k2e s PHE 29 Cb -0.25 -3.29 0.37 0.00 -0.57 0.00 0.00 43.02 39.28 2k2e s PHE 29 CO 0.07 -0.71 1.30 0.43 -0.10 0.00 0.00 175.22 176.21 2k2e n SER 30 N 6.25 3.37 -4.00 1.36 7.64 -1.26 -0.74 113.62 126.24 2k2e n SER 30 Ca 0.01 -2.65 -0.10 0.00 1.01 0.00 0.00 58.87 57.14 2k2e n SER 30 Cb 0.48 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.75 0.48 0.34 1.43 -3.43 -1.26 -4.94 115.29 106.17 2k2e s HIS 31 Ca 0.28 -0.83 -0.28 0.00 -0.80 0.00 0.00 55.06 53.42 2k2e s HIS 31 Cb 0.22 -0.08 -0.10 0.00 -1.43 0.00 0.00 32.58 31.19 2k2e s HIS 31 CO 0.07 -0.75 1.31 0.00 -2.00 0.00 0.00 174.74 173.36 2k2e s ALA 32 N -4.00 3.47 0.02 -1.38 0.00 -1.25 -4.77 121.76 113.86 2k2e s ALA 32 Ca 0.20 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2k2e s ALA 32 Cb 0.03 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2k2e s ALA 32 CO 0.03 -0.66 -0.07 0.96 0.00 0.00 0.00 175.76 176.02 2k2e s ILE 33 N -1.16 0.48 -0.23 0.00 -4.36 -0.90 -0.10 121.20 114.93 2k2e s ILE 33 Ca 0.50 -0.64 0.02 0.00 -0.26 0.00 0.00 60.65 60.26 2k2e s ILE 33 Cb -0.39 -0.48 0.05 0.00 1.25 0.00 0.00 42.46 42.89 2k2e s ILE 33 CO 0.52 -0.12 -0.10 0.00 0.24 0.00 0.00 174.94 175.48 2k2e s ALA 34 N -0.73 2.24 0.06 2.27 0.00 0.79 -0.63 121.76 125.75 2k2e s ALA 34 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2k2e s ALA 34 Cb -0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2k2e s ALA 34 CO 0.00 -1.03 -0.05 -0.59 0.00 0.00 0.00 175.76 174.10 2k2e s PHE 35 N 1.27 0.59 0.05 0.00 -0.71 -0.54 0.23 117.98 118.87 2k2e s PHE 35 Ca -0.05 -0.84 -0.00 0.00 -1.04 0.00 0.00 56.93 54.99 2k2e s PHE 35 Cb -0.18 -0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 41.21 2k2e s PHE 35 CO -0.07 -0.24 -0.04 0.00 -1.34 0.00 0.00 175.22 173.54 2k2e s ALA 36 N -3.00 0.46 0.17 1.99 0.00 -1.22 -2.04 121.76 118.12 2k2e s ALA 36 Ca 0.01 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 2k2e s ALA 36 Cb 0.01 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.42 2k2e s ALA 36 CO -0.05 -0.29 1.69 -1.35 0.00 0.00 0.00 175.76 175.76 2k2e h PRO 37 N 3.55 0.90 -3.47 0.00 0.11 -1.84 -3.29 132.00 127.95 2k2e h PRO 37 Ca -0.34 -0.20 -0.74 0.00 0.11 0.00 0.00 66.00 64.83 2k2e h PRO 37 Cb 1.16 -0.13 -0.32 0.00 0.11 0.00 0.00 31.00 31.82 2k2e h PRO 37 CO 0.59 0.81 0.06 -1.21 -0.21 0.00 0.00 178.00 178.04 2k2e s GLU 38 N -5.39 3.51 0.00 1.05 0.41 -1.26 -4.66 118.70 112.36 2k2e s GLU 38 Ca -0.13 -3.10 0.00 0.00 -0.41 0.00 0.00 54.97 51.34 2k2e s GLU 38 Cb 0.13 -4.16 0.00 0.00 -1.78 0.00 0.00 34.13 28.31 2k2e s GLU 38 CO 0.80 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 2k2e n GLY 39 N 2.74 -1.53 4.00 -1.39 0.00 -1.24 -4.99 105.19 102.77 2k2e n GLY 39 Ca 0.20 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.79 1.63 -0.35 1.61 0.04 -1.26 -4.67 135.00 130.22 2k2e s PRO 40 Ca 0.00 -1.19 -0.02 0.00 0.04 0.00 0.00 61.00 59.83 2k2e s PRO 40 Cb 0.00 -2.34 0.08 0.00 0.04 0.00 0.00 34.50 32.28 2k2e s PRO 40 CO 0.00 -1.48 0.09 0.08 0.04 0.00 0.00 177.00 175.73 2k2e s VAL 41 N -3.14 3.09 0.10 -0.36 1.01 -1.26 -3.40 120.40 116.44 2k2e s VAL 41 Ca 0.67 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2k2e s VAL 41 Cb -0.05 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2k2e s VAL 41 CO 0.44 -0.38 0.44 0.00 0.00 0.00 0.00 175.10 175.60 2k2e s ALA 42 N 1.19 3.69 -0.20 5.51 0.00 0.13 -4.91 121.76 127.18 2k2e s ALA 42 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 2k2e s ALA 42 Cb -0.21 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2k2e s ALA 42 CO -0.03 0.54 0.10 -1.12 0.00 0.00 0.00 175.76 175.26 2k2e s SER 43 N -1.79 5.95 -0.36 0.00 0.01 -1.26 -0.14 113.70 116.10 2k2e s SER 43 Ca 0.35 0.15 -0.15 0.00 1.31 0.00 0.00 55.95 57.61 2k2e s SER 43 Cb -0.14 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2k2e s SER 43 CO 0.19 0.16 0.33 0.26 0.41 0.00 0.00 173.24 174.59 2k2e s TRP 44 N 0.45 3.21 0.00 2.43 0.52 0.85 -4.95 118.94 121.45 2k2e s TRP 44 Ca 0.06 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.00 2k2e s TRP 44 Cb -0.12 -2.64 0.00 0.00 -1.15 0.00 0.00 33.47 29.57 2k2e s TRP 44 CO -0.00 -0.46 1.65 -2.30 0.02 0.00 0.00 176.95 175.85 2k2e n PRO 45 N 5.31 0.83 -4.44 4.98 -0.02 -1.26 -3.74 135.00 136.66 2k2e n PRO 45 Ca -0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.04 2k2e n PRO 45 Cb 0.49 -1.09 -0.12 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.34 3.89 -0.04 -1.45 1.01 -1.26 -4.97 120.40 117.92 2k2e s VAL 46 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2k2e s VAL 46 Cb 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 2k2e s VAL 46 CO 0.00 0.52 0.08 0.00 0.00 0.00 0.00 175.10 175.69 2k2e n GLN 47 N 3.25 1.73 -4.68 2.72 6.02 -1.26 -4.56 117.38 120.61 2k2e n GLN 47 Ca -0.18 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.46 2k2e n GLN 47 Cb 0.53 -1.15 -0.15 0.00 1.02 0.00 0.00 30.24 30.49 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 -2.28 3.34 0.00 -1.09 0.52 -1.26 -5.00 118.95 113.18 2k2e s ARG 48 Ca -0.03 -0.70 0.12 0.00 -0.52 0.00 0.00 55.73 54.60 2k2e s ARG 48 Cb 0.03 -2.64 0.52 0.00 0.52 0.00 0.00 34.95 33.38 2k2e s ARG 48 CO 0.25 0.14 1.37 -0.35 0.02 0.00 0.00 175.30 176.73 2k2e n PRO 49 N 3.72 0.03 0.00 3.54 -0.04 -1.26 -1.47 135.00 139.51 2k2e n PRO 49 Ca -0.18 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 2k2e n PRO 49 Cb 0.52 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.47 3.02 0.60 0.55 0.00 -1.26 -3.67 120.51 118.28 2k2e n ALA 50 Ca 0.03 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.15 2k2e n ALA 50 Cb 0.13 -1.09 0.22 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.36 0.71 -4.59 0.00 9.92 -0.54 -4.87 116.55 116.82 2k2e n ASP 51 Ca 0.13 0.20 -0.44 0.00 -0.53 0.00 0.00 54.79 54.15 2k2e n ASP 51 Cb 0.37 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 40.79 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2k2e n ILE 52 N -2.12 0.36 -4.44 0.53 5.41 -1.24 -4.92 119.36 112.94 2k2e n ILE 52 Ca 0.04 -0.41 -0.24 0.00 1.00 0.00 0.00 62.75 63.14 2k2e n ILE 52 Cb 0.43 -2.44 -0.08 0.00 -0.71 0.00 0.00 39.64 36.85 2k2e n ILE 52 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2k2e s THR 53 N 7.89 0.35 0.25 1.39 -4.23 -1.26 -5.02 115.64 115.02 2k2e s THR 53 Ca 1.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2k2e s THR 53 Cb -0.41 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.29 2k2e s THR 53 CO 0.38 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.27 2k2e h ALA 54 N 1.87 1.24 -0.51 3.99 0.00 -1.91 -0.74 119.26 123.20 2k2e h ALA 54 Ca -0.31 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k2e h ALA 54 Cb 1.26 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2k2e h ALA 54 CO 0.48 0.12 0.23 0.77 0.00 0.00 0.00 179.25 180.85 2k2e h SER 55 N 0.82 0.30 0.06 0.00 0.02 -1.96 -0.29 113.55 112.51 2k2e h SER 55 Ca 0.42 0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 61.21 2k2e h SER 55 Cb 0.39 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2k2e h SER 55 CO -0.25 0.20 -0.72 -0.07 -1.14 0.00 0.00 176.83 174.85 2k2e h LEU 56 N 0.45 0.69 -0.73 5.07 3.38 -1.72 -2.58 115.31 119.87 2k2e h LEU 56 Ca 0.24 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2k2e h LEU 56 Cb 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2k2e h LEU 56 CO -0.20 1.20 0.24 -0.07 0.09 0.00 0.00 178.44 179.71 2k2e h LEU 57 N 0.41 1.05 -0.75 1.67 3.38 -0.68 -0.06 115.31 120.32 2k2e h LEU 57 Ca -0.03 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2k2e h LEU 57 Cb 1.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2k2e h LEU 57 CO 0.14 0.97 -0.15 1.56 0.09 0.00 0.00 178.44 181.05 2k2e h GLN 58 N 1.07 0.80 -0.63 1.13 4.20 -1.03 -0.98 115.11 119.66 2k2e h GLN 58 Ca 0.24 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2k2e h GLN 58 Cb 0.29 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2k2e h GLN 58 CO -0.01 0.90 0.27 1.96 -0.67 0.00 0.00 178.83 181.28 2k2e h GLN 59 N 0.71 0.93 0.00 1.46 4.20 -1.02 -0.22 115.11 121.17 2k2e h GLN 59 Ca 0.11 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2k2e h GLN 59 Cb 0.65 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2k2e h GLN 59 CO 0.05 0.77 -0.28 0.00 -0.67 0.00 0.00 178.83 178.70 2k2e h ALA 60 N 1.11 1.24 0.00 3.87 0.00 -0.70 -1.85 119.26 122.94 2k2e h ALA 60 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k2e h ALA 60 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k2e h ALA 60 CO -0.02 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2k2e n ALA 61 N -2.35 2.36 -0.14 0.00 0.00 -0.40 -4.87 120.51 115.10 2k2e n ALA 61 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k2e n ALA 61 Cb 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.11 0.65 0.35 0.00 0.00 -0.70 -4.57 105.19 102.03 2k2e n GLY 62 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 0.97 0.09 0.99 4.77 -0.14 -3.42 117.00 120.26 2k2e n LEU 63 Ca 0.00 -0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 55.49 2k2e n LEU 63 Cb 0.00 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2k2e n LEU 63 CO 0.00 0.22 0.18 0.00 -1.33 0.00 0.00 177.39 176.45 2k2e h ALA 64 N 3.13 0.61 -3.14 -1.18 0.00 -1.73 -3.45 119.26 113.49 2k2e h ALA 64 Ca 0.00 -0.69 -0.66 0.00 0.00 0.00 0.00 54.91 53.56 2k2e h ALA 64 Cb 0.29 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.81 2k2e h ALA 64 CO 0.02 0.87 -0.77 -1.21 0.00 0.00 0.00 179.25 178.16 2k2e s GLU 65 N -2.88 3.29 0.04 0.00 0.41 -1.22 -5.08 118.70 113.26 2k2e s GLU 65 Ca 0.01 -0.70 -0.24 0.00 -0.41 0.00 0.00 54.97 53.64 2k2e s GLU 65 Cb 0.08 -2.75 -0.05 0.00 -1.78 0.00 0.00 34.13 29.63 2k2e s GLU 65 CO 0.78 -0.03 0.73 0.08 -0.49 0.00 0.00 175.26 176.33 2k2e s VAL 66 N 0.97 4.76 -0.75 2.63 1.01 -1.26 -4.97 120.40 122.79 2k2e s VAL 66 Ca -0.02 1.54 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 2k2e s VAL 66 Cb -0.15 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2k2e s VAL 66 CO -0.01 0.38 2.03 -0.69 0.00 0.00 0.00 175.10 176.80 2k2e s VAL 67 N -0.12 3.32 -0.99 2.92 1.01 -1.26 -4.89 120.40 120.39 2k2e s VAL 67 Ca 0.37 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 2k2e s VAL 67 Cb -0.20 -3.76 0.20 0.00 0.00 0.00 0.00 36.38 32.62 2k2e s VAL 67 CO 0.22 -0.72 1.08 -0.13 0.00 0.00 0.00 175.10 175.55 2k2e s ARG 68 N 7.40 3.82 -0.50 2.72 0.52 -1.26 -4.47 118.95 127.18 2k2e s ARG 68 Ca 0.75 -2.43 -0.03 0.00 -0.52 0.00 0.00 55.73 53.50 2k2e s ARG 68 Cb -0.10 -4.73 0.13 0.00 0.52 0.00 0.00 34.95 30.77 2k2e s ARG 68 CO 0.10 -1.52 0.31 0.34 0.02 0.00 0.00 175.30 174.55 2k2e s ASP 69 N 2.57 5.27 -0.37 0.23 2.15 -1.26 -4.95 116.67 120.31 2k2e s ASP 69 Ca 0.30 -2.36 0.03 0.00 0.43 0.00 0.00 52.55 50.95 2k2e s ASP 69 Cb -0.07 -1.85 0.53 0.00 -0.30 0.00 0.00 42.92 41.23 2k2e s ASP 69 CO -0.07 -0.48 1.76 -0.81 -0.17 0.00 0.00 175.17 175.40 2k2e n PRO 70 N 4.16 2.03 -0.12 4.34 -0.04 -1.26 -4.53 135.00 139.58 2k2e n PRO 70 Ca 0.02 -2.44 -0.12 0.00 -0.04 0.00 0.00 63.50 60.91 2k2e n PRO 70 Cb 0.40 -1.96 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 2k2e n PRO 70 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k2e h LEU 71 N 1.08 0.78 -8.06 1.53 5.85 -2.03 -3.43 115.31 111.03 2k2e h LEU 71 Ca 0.51 -0.42 -0.47 0.00 0.84 0.00 0.00 57.88 58.35 2k2e h LEU 71 Cb 2.40 -0.22 -0.31 0.00 0.37 0.00 0.00 40.66 42.91 2k2e h LEU 71 CO 0.92 1.03 -0.80 0.00 -0.34 0.00 0.00 178.44 179.25 2k2e s ALA 72 N -4.56 1.06 -1.00 1.25 0.00 -1.26 -5.07 121.76 112.17 2k2e s ALA 72 Ca -0.12 -0.45 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 2k2e s ALA 72 Cb 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2k2e s ALA 72 CO 0.83 0.19 1.69 -0.06 0.00 0.00 0.00 175.76 178.41 2k2e s PHE 73 N 0.09 2.23 0.00 0.00 0.08 -1.26 -3.63 117.98 115.49 2k2e s PHE 73 Ca -0.02 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2k2e s PHE 73 Cb -0.09 -4.41 0.00 0.00 -0.57 0.00 0.00 43.02 37.95 2k2e s PHE 73 CO 0.01 -1.82 0.00 -0.11 -0.10 0.00 0.00 175.22 173.20 2k2e n LEU 74 N 11.16 0.00 -0.02 -0.37 7.94 -1.26 -4.98 117.00 129.47 2k2e n LEU 74 Ca 0.37 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.14 2k2e n LEU 74 Cb 0.49 0.07 -0.10 0.00 0.53 0.00 0.00 43.42 44.41 2k2e n LEU 74 CO 0.64 -0.07 0.59 0.44 -1.11 0.00 0.00 177.39 177.88 2k2e h ASP 75 N 0.00 -0.00 -4.29 1.96 3.32 -1.87 -3.50 116.42 112.03 2k2e h ASP 75 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2k2e h ASP 75 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2k2e h ASP 75 CO 0.00 0.58 -0.85 -0.62 -1.72 0.00 0.00 179.24 176.63 2k2e n GLU 76 N -4.81 -3.60 -0.11 3.56 1.02 -1.26 -4.64 120.64 110.80 2k2e n GLU 76 Ca -0.09 2.78 0.02 0.00 -0.02 0.00 0.00 57.16 59.85 2k2e n GLU 76 Cb 0.29 -3.66 0.32 0.00 -0.02 0.00 0.00 31.44 28.37 2k2e n GLU 76 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2k2e h PRO 77 N 3.01 0.77 -0.04 3.49 0.11 -1.83 -1.34 132.00 136.17 2k2e h PRO 77 Ca -0.14 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2k2e h PRO 77 Cb 0.31 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2k2e h PRO 77 CO 0.00 0.53 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 2k2e n GLU 78 N -4.43 1.32 -0.03 1.05 4.71 -1.26 -3.12 120.64 118.88 2k2e n GLU 78 Ca 0.05 -0.47 -0.14 0.00 -0.01 0.00 0.00 57.16 56.59 2k2e n GLU 78 Cb 0.06 -1.42 -0.14 0.00 -1.01 0.00 0.00 31.44 28.93 2k2e n GLU 78 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2e n ALA 79 N -0.38 1.27 0.00 0.62 0.00 -0.51 -5.03 120.51 116.48 2k2e n ALA 79 Ca 0.19 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2k2e n ALA 79 Cb 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.81 1.32 3.63 0.00 0.00 -1.18 -4.89 105.19 105.89 2k2e n GLY 80 Ca -0.27 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.00 -0.97 0.00 4.61 0.00 -1.26 -4.96 121.76 118.18 2k2e s ALA 81 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2k2e s ALA 81 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2k2e s ALA 81 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2k2e n GLY 82 N -0.39 0.69 0.70 0.00 0.00 -1.26 -4.89 105.19 100.04 2k2e n GLY 82 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 2.60 -2.58 4.61 0.00 -1.26 -4.87 120.51 116.02 2k2e n ALA 83 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 2k2e n ALA 83 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.62 4.48 -0.88 0.00 1.70 -1.26 -4.92 118.95 116.46 2k2e s ARG 84 Ca 0.22 1.57 -0.15 0.00 -0.47 0.00 0.00 55.73 56.89 2k2e s ARG 84 Cb 0.13 -3.44 -0.10 0.00 -0.57 0.00 0.00 34.95 30.97 2k2e s ARG 84 CO 0.12 -0.18 2.03 -2.30 -1.08 0.00 0.00 175.30 173.89 2k2e n PRO 85 N 4.13 1.84 0.00 3.89 -0.02 -1.26 -4.69 135.00 138.89 2k2e n PRO 85 Ca 0.08 -1.75 0.00 0.00 -2.02 0.00 0.00 63.50 59.81 2k2e n PRO 85 Cb 0.49 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 86 N 6.09 0.00 -1.68 3.55 0.00 -1.26 -4.35 120.51 122.86 2k2e n ALA 86 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 2k2e n ALA 86 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2k2e n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k2e n ASN 87 N 1.93 -4.04 -4.80 0.00 3.02 -1.26 -5.02 115.26 105.08 2k2e n ASN 87 Ca 0.00 0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.42 2k2e n ASN 87 Cb 0.00 -2.83 0.11 0.00 -0.61 0.00 0.00 39.78 36.45 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2e s ALA 88 N -2.47 2.02 0.42 5.41 0.00 -1.26 -4.99 121.76 120.89 2k2e s ALA 88 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 2k2e s ALA 88 Cb 0.00 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 2k2e s ALA 88 CO 0.00 -2.01 1.33 -0.35 0.00 0.00 0.00 175.76 174.73 2k2e n PRO 89 N -3.60 2.08 -0.08 0.00 -0.04 -1.26 -4.93 135.00 127.16 2k2e n PRO 89 Ca 0.07 0.74 -0.15 0.00 -0.04 0.00 0.00 63.50 64.12 2k2e n PRO 89 Cb 0.58 -2.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 2k2e n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k2e h GLU 90 N 2.23 0.86 -3.83 0.54 5.08 -0.88 -3.44 114.58 115.13 2k2e h GLU 90 Ca -0.49 -0.53 -0.28 0.00 -1.00 0.00 0.00 59.36 57.06 2k2e h GLU 90 Cb 1.28 0.06 -0.30 0.00 0.50 0.00 0.00 28.75 30.29 2k2e h GLU 90 CO 0.61 1.17 -0.73 0.54 -1.00 0.00 0.00 179.01 179.59 2k2e s VAL 91 N -4.17 0.12 -0.23 3.13 0.11 -1.07 -2.42 120.40 115.88 2k2e s VAL 91 Ca -0.11 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2k2e s VAL 91 Cb 0.10 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.82 2k2e s VAL 91 CO 0.88 0.07 -0.09 -0.22 -3.33 0.00 0.00 175.10 172.41 2k2e s LEU 92 N 0.32 2.93 -0.24 2.54 2.96 0.92 -2.13 118.68 125.98 2k2e s LEU 92 Ca -0.03 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 53.01 2k2e s LEU 92 Cb -0.05 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2k2e s LEU 92 CO -0.01 -0.09 0.12 -0.76 -1.32 0.00 0.00 176.35 174.29 2k2e s LEU 93 N 1.33 3.86 -0.22 -0.68 1.43 -0.06 -0.94 118.68 123.39 2k2e s LEU 93 Ca 0.02 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 2k2e s LEU 93 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2k2e s LEU 93 CO -0.06 0.05 0.10 -0.69 0.23 0.00 0.00 176.35 175.97 2k2e s VAL 94 N 1.16 4.90 -0.31 -1.59 1.01 0.50 -0.28 120.40 125.78 2k2e s VAL 94 Ca 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2k2e s VAL 94 Cb -0.14 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2k2e s VAL 94 CO 0.05 0.39 0.09 -0.83 0.00 0.00 0.00 175.10 174.80 2k2e s GLY 95 N 0.87 1.81 -0.09 4.51 0.00 0.14 -0.36 107.32 114.19 2k2e s GLY 95 Ca 0.05 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 2k2e s GLY 95 CO 0.03 0.69 -0.02 -0.91 0.00 0.00 0.00 173.10 172.89 2k2e h THR 96 N 5.98 0.00 0.00 0.90 1.35 -0.57 0.26 112.91 120.84 2k2e h THR 96 Ca -0.28 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2k2e h THR 96 Cb 1.11 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2k2e h THR 96 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 2k2e n GLY 97 N 1.78 3.02 0.69 5.82 0.00 -1.26 -4.38 105.19 110.87 2k2e n GLY 97 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2k2e n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2e n ARG 98 N -1.60 0.09 -3.75 1.61 1.74 -1.26 -4.83 116.66 108.66 2k2e n ARG 98 Ca 0.00 0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.95 2k2e n ARG 98 Cb 0.00 -0.51 -0.17 0.00 -1.02 0.00 0.00 32.46 30.77 2k2e n ARG 98 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2k2e s ARG 99 N -1.68 -0.01 -0.77 5.56 0.52 -1.26 -5.09 118.95 116.23 2k2e s ARG 99 Ca -0.05 0.24 -0.25 0.00 -0.52 0.00 0.00 55.73 55.15 2k2e s ARG 99 Cb 0.01 -0.37 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 2k2e s ARG 99 CO 0.08 -0.22 1.87 -0.65 0.02 0.00 0.00 175.30 176.40 2k2e s GLN 100 N 1.46 2.64 -0.14 3.54 -0.21 -1.26 -4.82 119.66 120.87 2k2e s GLN 100 Ca -0.04 0.11 -0.29 0.00 0.02 0.00 0.00 55.36 55.15 2k2e s GLN 100 Cb -0.13 -4.73 -0.02 0.00 1.00 0.00 0.00 33.01 29.13 2k2e s GLN 100 CO -0.03 -3.01 1.36 -1.58 -2.12 0.00 0.00 175.29 169.91 2k2e s HIS 101 N 9.34 2.64 -0.13 0.91 5.65 -1.26 -4.97 115.29 127.46 2k2e s HIS 101 Ca 0.67 0.81 -0.29 0.00 0.25 0.00 0.00 55.06 56.49 2k2e s HIS 101 Cb -0.09 -3.61 -0.03 0.00 -1.18 0.00 0.00 32.58 27.67 2k2e s HIS 101 CO 0.09 -2.23 1.44 -1.17 -0.65 0.00 0.00 174.74 172.22 2k2e s LEU 102 N 3.60 4.21 0.28 8.88 2.96 -1.26 -4.89 118.68 132.46 2k2e s LEU 102 Ca 0.59 1.88 -0.29 0.00 -0.22 0.00 0.00 54.13 56.09 2k2e s LEU 102 Cb -0.25 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.81 2k2e s LEU 102 CO 0.18 -0.87 1.13 -0.76 -1.32 0.00 0.00 176.35 174.71 2k2e s LEU 103 N 3.85 4.53 0.24 -0.68 1.43 -1.26 -5.04 118.68 121.75 2k2e s LEU 103 Ca 0.63 2.31 0.07 0.00 -1.03 0.00 0.00 54.13 56.11 2k2e s LEU 103 Cb -0.26 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 2k2e s LEU 103 CO 0.22 -0.19 0.18 -0.83 0.23 0.00 0.00 176.35 175.95 2k2e s GLY 104 N -0.78 1.47 0.28 -3.19 0.00 -1.26 -4.96 107.32 98.88 2k2e s GLY 104 Ca 0.45 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.81 2k2e s GLY 104 CO 0.42 -1.42 1.77 -2.55 0.00 0.00 0.00 173.10 171.32 2k2e h PRO 105 N 1.68 0.70 -0.65 2.90 0.11 -1.96 0.14 132.00 134.91 2k2e h PRO 105 Ca -0.48 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.77 2k2e h PRO 105 Cb 1.23 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2k2e h PRO 105 CO 0.61 0.46 0.52 1.49 -0.21 0.00 0.00 178.00 180.87 2k2e h GLU 106 N 0.72 0.00 0.04 1.05 4.57 -2.02 -1.35 114.58 117.59 2k2e h GLU 106 Ca 0.52 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 58.32 2k2e h GLU 106 Cb 0.76 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 2k2e h GLU 106 CO -0.37 0.00 -2.23 1.04 -1.18 0.00 0.00 179.01 176.27 2k2e n GLN 107 N -4.12 0.66 0.02 1.92 6.02 0.36 -4.58 117.38 117.66 2k2e n GLN 107 Ca 0.13 0.24 0.12 0.00 -0.01 0.00 0.00 57.00 57.49 2k2e n GLN 107 Cb 0.77 -1.59 0.31 0.00 1.02 0.00 0.00 30.24 30.75 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 -3.61 0.11 -0.04 5.09 0.24 -0.49 -4.27 118.33 115.34 2k2e n VAL 108 Ca -0.42 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 2k2e n VAL 108 Cb 0.96 -0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.29 -0.88 7.34 3.08 -1.51 0.11 114.38 122.24 2k2e h ARG 109 Ca 0.00 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.19 2k2e h ARG 109 Cb 0.57 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 2k2e h ARG 109 CO 0.00 -0.19 0.57 -1.35 -1.07 0.00 0.00 179.97 177.93 2k2e h PRO 110 N -0.30 0.75 0.12 0.04 0.11 -1.87 0.16 132.00 131.00 2k2e h PRO 110 Ca 0.13 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.93 2k2e h PRO 110 Cb 0.50 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2k2e h PRO 110 CO -0.40 0.49 -1.22 -0.07 -0.21 0.00 0.00 178.00 176.59 2k2e h LEU 111 N 0.77 0.42 -0.85 2.35 3.38 -1.65 -2.88 115.31 116.85 2k2e h LEU 111 Ca 0.43 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2k2e h LEU 111 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k2e h LEU 111 CO -0.19 1.34 -0.37 -0.07 0.09 0.00 0.00 178.44 179.24 2k2e h LEU 112 N 0.08 0.42 -1.23 1.67 3.38 -0.06 0.95 115.31 120.52 2k2e h LEU 112 Ca -0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2k2e h LEU 112 Cb 1.94 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2k2e h LEU 112 CO 0.20 0.76 0.06 0.00 0.09 0.00 0.00 178.44 179.54 2k2e h ALA 113 N 1.27 1.38 -0.03 1.53 0.00 -0.69 -2.69 119.26 120.02 2k2e h ALA 113 Ca 0.04 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 2k2e h ALA 113 Cb 0.81 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k2e h ALA 113 CO 0.06 0.44 -0.85 0.52 0.00 0.00 0.00 179.25 179.42 2k2e h MET 114 N 0.57 0.62 0.00 0.00 2.86 -1.23 -3.48 114.93 114.27 2k2e h MET 114 Ca 0.13 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2k2e h MET 114 Cb 0.28 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2k2e h MET 114 CO 0.00 1.24 0.00 0.41 1.06 0.00 0.00 176.91 179.62 2k2e n GLY 115 N 1.01 1.59 3.62 8.32 0.00 0.20 -5.09 105.19 114.83 2k2e n GLY 115 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 4.79 -0.64 1.61 1.01 -0.42 -4.96 120.40 119.78 2k2e s VAL 116 Ca 0.00 1.29 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 2k2e s VAL 116 Cb 0.00 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2k2e s VAL 116 CO 0.00 -0.23 1.34 -0.83 0.00 0.00 0.00 175.10 175.39 2k2e s GLY 117 N 1.57 0.89 -0.25 4.51 0.00 -1.01 -4.42 107.32 108.60 2k2e s GLY 117 Ca 0.34 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 2k2e s GLY 117 CO 0.12 2.72 0.12 0.14 0.00 0.00 0.00 173.10 176.20 2k2e s VAL 118 N 5.90 4.86 -0.01 1.40 1.01 -1.26 -0.06 120.40 132.24 2k2e s VAL 118 Ca 0.44 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.48 2k2e s VAL 118 Cb -0.09 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2k2e s VAL 118 CO 0.21 0.32 -0.17 -1.61 0.00 0.00 0.00 175.10 173.85 2k2e s GLU 119 N 1.46 1.34 -0.16 2.72 2.02 -0.12 -4.97 118.70 120.99 2k2e s GLU 119 Ca 0.06 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 2k2e s GLU 119 Cb -0.15 -1.30 -0.01 0.00 0.10 0.00 0.00 34.13 32.77 2k2e s GLU 119 CO 0.06 0.36 -0.12 0.00 0.02 0.00 0.00 175.26 175.58 2k2e s ALA 120 N -0.41 2.63 0.32 5.21 0.00 -1.26 -0.37 121.76 127.86 2k2e s ALA 120 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2k2e s ALA 120 Cb -0.07 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 2k2e s ALA 120 CO -0.01 -0.02 0.37 -1.64 0.00 0.00 0.00 175.76 174.47 2k2e s MET 121 N 0.79 1.76 0.61 0.00 -1.94 0.51 -4.94 119.30 116.09 2k2e s MET 121 Ca -0.04 -1.80 -0.16 0.00 -1.71 0.00 0.00 55.69 51.97 2k2e s MET 121 Cb -0.15 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 37.05 2k2e s MET 121 CO 0.01 -0.69 1.08 -0.51 -0.01 0.00 0.00 175.02 174.90 2k2e s ASP 122 N -3.26 5.55 0.18 3.03 1.01 -1.26 0.11 116.67 122.02 2k2e s ASP 122 Ca 0.35 1.90 -0.20 0.00 0.71 0.00 0.00 52.55 55.31 2k2e s ASP 122 Cb 0.01 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.51 2k2e s ASP 122 CO 0.21 -1.33 1.60 0.74 0.21 0.00 0.00 175.17 176.61 2k2e h THR 123 N 0.35 0.26 -0.39 -1.27 2.02 -1.81 0.19 112.91 112.25 2k2e h THR 123 Ca -0.47 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2k2e h THR 123 Cb 1.23 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2k2e h THR 123 CO 0.56 0.00 0.24 -0.61 0.37 0.00 0.00 175.52 176.09 2k2e h GLN 124 N -0.17 0.48 -0.37 6.66 4.15 -1.96 0.17 115.11 124.08 2k2e h GLN 124 Ca 0.21 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.46 2k2e h GLN 124 Cb 0.52 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2k2e h GLN 124 CO -0.59 0.32 -0.33 0.00 -1.93 0.00 0.00 178.83 176.30 2k2e h ALA 125 N 1.16 0.72 -0.26 3.38 0.00 -1.71 -1.90 119.26 120.64 2k2e h ALA 125 Ca 0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2k2e h ALA 125 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2k2e h ALA 125 CO -0.05 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 2k2e h ALA 126 N 0.93 0.37 -0.45 0.00 0.00 -0.42 -2.59 119.26 117.09 2k2e h ALA 126 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2k2e h ALA 126 Cb 0.89 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k2e h ALA 126 CO 0.08 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.52 2k2e h ALA 127 N 0.77 1.18 0.07 0.00 0.00 -0.91 0.25 119.26 120.63 2k2e h ALA 127 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k2e h ALA 127 Cb 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k2e h ALA 127 CO 0.03 0.54 -0.06 -0.09 0.00 0.00 0.00 179.25 179.66 2k2e h ARG 128 N 0.69 -0.14 -0.41 0.00 2.43 -1.27 -0.17 114.38 115.51 2k2e h ARG 128 Ca 0.14 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2k2e h ARG 128 Cb 0.40 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2k2e h ARG 128 CO 0.01 -0.09 -0.07 1.15 -1.51 0.00 0.00 179.97 179.46 2k2e h THR 129 N -0.14 1.24 -0.53 0.20 2.02 -1.14 -2.71 112.91 111.85 2k2e h THR 129 Ca 0.00 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.15 2k2e h THR 129 Cb 0.13 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2k2e h THR 129 CO -0.01 0.36 0.32 0.22 0.37 0.00 0.00 175.52 176.78 2k2e h TYR 130 N 0.64 0.60 -0.88 3.16 3.20 -0.11 0.17 116.97 123.75 2k2e h TYR 130 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2k2e h TYR 130 Cb 0.51 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2k2e h TYR 130 CO 0.02 0.34 0.58 -0.97 -1.64 0.00 0.00 178.16 176.49 2k2e h ASN 131 N 0.63 1.02 -0.15 -2.11 -1.24 -0.75 0.13 115.58 113.11 2k2e h ASN 131 Ca 0.21 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2k2e h ASN 131 Cb 0.02 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2k2e h ASN 131 CO -0.10 0.74 0.08 0.40 -1.29 0.00 0.00 177.43 177.26 2k2e h ILE 132 N 1.20 1.11 -0.08 2.57 2.04 -1.08 -2.06 117.51 121.21 2k2e h ILE 132 Ca 0.32 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 2k2e h ILE 132 Cb -0.13 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2k2e h ILE 132 CO -0.07 0.10 -0.25 -0.07 0.00 0.00 0.00 178.15 177.87 2k2e h LEU 133 N 0.13 0.13 -0.86 1.44 3.38 -0.53 -1.37 115.31 117.63 2k2e h LEU 133 Ca 0.05 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2k2e h LEU 133 Cb 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2k2e h LEU 133 CO -0.01 0.38 0.10 -0.03 0.09 0.00 0.00 178.44 178.98 2k2e h MET 134 N 0.12 0.95 0.00 1.13 4.05 -0.48 -1.79 114.93 118.90 2k2e h MET 134 Ca 0.02 -0.23 -0.05 0.00 -0.28 0.00 0.00 59.70 59.16 2k2e h MET 134 Cb 0.51 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2k2e h MET 134 CO 0.04 0.87 -0.26 0.00 0.23 0.00 0.00 176.91 177.79 2k2e h ALA 135 N 1.21 0.96 0.00 0.39 0.00 -0.61 -2.15 119.26 119.06 2k2e h ALA 135 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k2e h ALA 135 Cb 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k2e h ALA 135 CO 0.01 0.32 -0.15 1.49 0.00 0.00 0.00 179.25 180.92 2k2e h GLU 136 N 0.00 0.00 0.00 0.00 4.81 -0.68 -3.47 114.58 115.24 2k2e h GLU 136 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k2e h GLU 136 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k2e h GLU 136 CO 0.03 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.88 2k2e n GLY 137 N 0.54 0.44 3.85 1.92 0.00 -0.77 -5.04 105.19 106.13 2k2e n GLY 137 Ca 0.02 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.35 3.97 -1.15 1.61 3.52 -0.75 -4.98 118.95 117.82 2k2e s ARG 138 Ca 0.00 0.58 -0.21 0.00 -0.13 0.00 0.00 55.73 55.97 2k2e s ARG 138 Cb 0.00 -2.56 0.06 0.00 -1.56 0.00 0.00 34.95 30.89 2k2e s ARG 138 CO 0.00 0.24 1.59 0.50 -0.81 0.00 0.00 175.30 176.82 2k2e s ARG 139 N -2.78 3.77 -0.07 5.12 3.52 -1.26 -4.72 118.95 122.52 2k2e s ARG 139 Ca 0.50 -1.54 0.05 0.00 -0.13 0.00 0.00 55.73 54.62 2k2e s ARG 139 Cb -0.11 -5.44 -0.01 0.00 -1.56 0.00 0.00 34.95 27.83 2k2e s ARG 139 CO 0.19 -2.25 -0.24 0.54 -0.81 0.00 0.00 175.30 172.73 2k2e s VAL 140 N 4.68 2.01 -0.09 7.11 0.11 -1.26 -0.09 120.40 132.86 2k2e s VAL 140 Ca 0.50 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2k2e s VAL 140 Cb 0.02 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2k2e s VAL 140 CO -0.01 0.55 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.47 2k2e s VAL 141 N 0.07 2.86 -0.10 2.04 1.01 -0.91 -4.48 120.40 120.90 2k2e s VAL 141 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2k2e s VAL 141 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2k2e s VAL 141 CO 0.06 0.56 -0.20 0.54 0.00 0.00 0.00 175.10 176.06 2k2e s VAL 142 N -0.10 2.44 -0.36 2.92 0.11 -0.87 -0.89 120.40 123.67 2k2e s VAL 142 Ca -0.03 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.10 2k2e s VAL 142 Cb -0.14 -1.97 0.07 0.00 -1.53 0.00 0.00 36.38 32.82 2k2e s VAL 142 CO 0.04 0.55 0.12 0.00 -3.33 0.00 0.00 175.10 172.47 2k2e s ALA 143 N 0.26 3.02 -0.18 1.54 0.00 0.62 -1.47 121.76 125.55 2k2e s ALA 143 Ca -0.14 -2.06 -0.06 0.00 0.00 0.00 0.00 51.96 49.70 2k2e s ALA 143 Cb -0.17 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 2k2e s ALA 143 CO 0.07 -1.50 0.02 -0.51 0.00 0.00 0.00 175.76 173.84 2k2e s LEU 144 N 1.26 3.51 0.32 0.00 1.43 0.19 0.27 118.68 125.66 2k2e s LEU 144 Ca 0.01 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2k2e s LEU 144 Cb -0.21 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.05 2k2e s LEU 144 CO -0.01 0.14 0.69 -0.76 0.23 0.00 0.00 176.35 176.64 2k2e s LEU 145 N 0.54 4.04 0.84 1.79 1.43 0.92 -2.11 118.68 126.12 2k2e s LEU 145 Ca 0.00 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 2k2e s LEU 145 Cb -0.14 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.25 2k2e s LEU 145 CO 0.02 -0.21 1.16 -2.84 0.23 0.00 0.00 176.35 174.70 2k2e s PRO 146 N -3.16 1.55 0.28 1.29 0.02 -1.26 -4.70 135.00 129.02 2k2e s PRO 146 Ca 0.51 1.55 0.01 0.00 0.02 0.00 0.00 61.00 63.09 2k2e s PRO 146 Cb -0.10 -1.79 0.58 0.00 0.02 0.00 0.00 34.50 33.21 2k2e s PRO 146 CO 0.22 -2.24 1.80 -0.44 -0.33 0.00 0.00 177.00 176.01 2k2e h ASP 147 N -1.29 0.76 0.00 2.53 5.19 -1.88 -3.43 116.42 118.30 2k2e h ASP 147 Ca -0.44 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2k2e h ASP 147 Cb 1.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2k2e h ASP 147 CO 0.45 0.35 0.00 0.61 -3.12 0.00 0.00 179.24 177.54 2k2e n GLY 148 N -1.33 0.00 2.39 2.75 0.00 -1.26 -4.29 105.19 103.44 2k2e n GLY 148 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.91 0.17 1.61 8.00 -1.26 -4.87 116.55 115.30 2k2e n ASP 149 Ca 0.00 0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.83 2k2e n ASP 149 Cb 0.00 -3.93 0.55 0.00 -0.02 0.00 0.00 41.12 37.72 2k2e n ASP 149 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2k2e h SER 150 N 0.00 0.00 1.34 -2.24 4.64 -1.94 0.11 113.55 115.46 2k2e h SER 150 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2k2e h SER 150 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k2e h SER 150 CO 0.47 0.00 -0.01 0.18 -0.87 0.00 0.00 176.83 176.61 2k2e n LEU 151 N -2.49 0.60 -4.78 5.97 4.77 -1.26 -4.83 117.00 114.97 2k2e n LEU 151 Ca 0.02 0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 56.30 2k2e n LEU 151 Cb 0.25 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2k2e n LEU 151 CO 0.22 -0.13 -0.11 -1.61 -1.33 0.00 0.00 177.39 174.43 2k2e s GLU 152 N -3.07 2.29 -0.30 3.23 0.41 0.02 -5.11 118.70 116.16 2k2e s GLU 152 Ca 0.11 -1.82 -0.03 0.00 -0.41 0.00 0.00 54.97 52.82 2k2e s GLU 152 Cb 0.14 -2.06 0.04 0.00 -1.78 0.00 0.00 34.13 30.47 2k2e s GLU 152 CO 0.58 -0.19 0.02 -1.01 -0.49 0.00 0.00 175.26 174.17 2k2e s HIS 153 N -2.60 3.22 0.23 1.61 3.76 -1.26 -4.97 115.29 115.27 2k2e s HIS 153 Ca 0.41 -1.62 -0.07 0.00 -0.15 0.00 0.00 55.06 53.62 2k2e s HIS 153 Cb 0.02 -2.15 0.29 0.00 1.11 0.00 0.00 32.58 31.85 2k2e s HIS 153 CO 0.23 -0.75 1.84 0.45 -0.85 0.00 0.00 174.74 175.65 2k2e h HIS 154 N 8.08 0.87 -2.88 1.40 3.86 -1.85 -3.41 115.15 121.22 2k2e h HIS 154 Ca -0.24 0.03 -0.64 0.00 -1.16 0.00 0.00 60.37 58.36 2k2e h HIS 154 Cb 1.08 -0.28 -0.16 0.00 1.06 0.00 0.00 27.41 29.11 2k2e h HIS 154 CO 0.60 0.44 -0.78 -1.01 0.86 0.00 0.00 177.93 178.04 2k2e s HIS 155 N -6.08 2.37 0.00 2.45 3.76 -0.83 -5.01 115.29 111.96 2k2e s HIS 155 Ca -0.13 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2k2e s HIS 155 Cb 0.17 -1.13 -0.07 0.00 1.11 0.00 0.00 32.58 32.66 2k2e s HIS 155 CO 0.78 0.56 2.19 0.72 -0.85 0.00 0.00 174.74 178.14 2k2e n HIS 156 N -0.04 0.00 0.00 1.40 -0.00 -1.26 -2.15 115.22 113.17 2k2e n HIS 156 Ca -0.10 -1.00 0.00 0.00 -0.00 0.00 0.00 57.72 56.62 2k2e n HIS 156 Cb 0.57 -0.77 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 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 1.88 -0.12 -1.71 4.41 8.25 -1.26 -5.19 115.22 121.48 2k2e n HIS 157 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2k2e n HIS 157 Cb 0.55 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.77 2k2e n HIS 157 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56