#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k75 s ASP 2 N 0.00 4.92 -0.13 4.04 1.01 -1.26 -3.87 116.67 121.39 2k75 s ASP 2 Ca 0.00 1.38 -0.29 0.00 0.71 0.00 0.00 52.55 54.34 2k75 s ASP 2 Cb 0.00 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 2k75 s ASP 2 CO 0.00 -1.70 1.02 -0.22 0.21 0.00 0.00 175.17 174.47 2k75 s LEU 3 N -5.64 4.22 0.12 1.23 2.96 -1.26 -1.07 118.68 119.25 2k75 s LEU 3 Ca 0.59 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 2k75 s LEU 3 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2k75 s LEU 3 CO 0.54 -0.49 0.01 0.68 -1.32 0.00 0.00 176.35 175.77 2k75 s VAL 4 N 2.24 0.36 0.67 1.68 -7.23 -0.97 -4.95 120.40 112.19 2k75 s VAL 4 Ca 0.48 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 2k75 s VAL 4 Cb -0.18 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 2k75 s VAL 4 CO 0.16 -0.61 1.05 -0.54 -0.31 0.00 0.00 175.10 174.84 2k75 s LYS 5 N -3.96 3.14 0.17 4.82 1.02 -1.26 -4.66 119.74 119.01 2k75 s LYS 5 Ca 0.19 0.93 -0.12 0.00 0.02 0.00 0.00 55.97 56.99 2k75 s LYS 5 Cb 0.07 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.43 2k75 s LYS 5 CO -0.01 -0.94 1.73 0.82 -0.92 0.00 0.00 175.35 176.04 2k75 h ILE 6 N -0.49 1.22 0.00 2.17 2.04 -1.96 -1.88 117.51 118.61 2k75 h ILE 6 Ca -0.44 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2k75 h ILE 6 Cb 1.21 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2k75 h ILE 6 CO 0.58 0.27 0.00 0.08 0.00 0.00 0.00 178.15 179.08 2k75 h ARG 7 N 0.79 0.00 -0.00 2.37 0.11 -1.94 -0.94 114.38 114.78 2k75 h ARG 7 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 2k75 h ARG 7 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2k75 h ARG 7 CO -0.02 0.00 -0.04 -0.25 0.10 0.00 0.00 179.97 179.77 2k75 n ASP 8 N -2.85 0.46 -4.73 0.08 8.00 -0.71 -4.86 116.55 111.94 2k75 n ASP 8 Ca -0.00 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 2k75 n ASP 8 Cb 0.22 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 2k75 n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2k75 s VAL 9 N -2.20 2.90 0.23 2.53 1.01 -0.36 -4.93 120.40 119.58 2k75 s VAL 9 Ca 0.38 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 2k75 s VAL 9 Cb 0.21 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2k75 s VAL 9 CO 0.41 0.08 0.58 -0.44 0.00 0.00 0.00 175.10 175.73 2k75 s SER 10 N 0.77 -0.24 0.26 3.32 0.01 -1.26 -5.04 113.70 111.52 2k75 s SER 10 Ca 0.63 -0.60 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 2k75 s SER 10 Cb -0.40 0.63 0.34 0.00 0.21 0.00 0.00 66.02 66.80 2k75 s SER 10 CO 0.36 -1.17 1.80 -0.07 0.41 0.00 0.00 173.24 174.57 2k75 h LEU 11 N 2.13 0.84 -2.16 2.44 3.38 -1.94 -1.76 115.31 118.25 2k75 h LEU 11 Ca -0.25 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.60 2k75 h LEU 11 Cb 1.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2k75 h LEU 11 CO 0.32 0.82 0.29 0.77 0.09 0.00 0.00 178.44 180.73 2k75 h SER 12 N 0.87 0.00 -3.33 -0.43 4.64 -1.98 -3.09 113.55 110.22 2k75 h SER 12 Ca 0.19 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.82 2k75 h SER 12 Cb 0.31 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.03 2k75 h SER 12 CO -0.00 0.00 -0.23 0.42 -0.87 0.00 0.00 176.83 176.15 2k75 s THR 13 N -4.31 3.96 0.07 2.95 -4.23 -0.66 -4.89 115.64 108.53 2k75 s THR 13 Ca -0.04 -3.92 0.28 0.00 -1.18 0.00 0.00 61.69 56.83 2k75 s THR 13 Cb 0.12 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.78 2k75 s THR 13 CO 0.40 -1.06 1.87 1.55 -0.54 0.00 0.00 174.62 176.84 2k75 h PRO 14 N 5.91 0.00 -4.39 3.99 0.13 -1.72 -3.41 132.00 132.51 2k75 h PRO 14 Ca 0.14 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.66 2k75 h PRO 14 Cb 0.81 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.55 2k75 h PRO 14 CO 0.81 0.11 -0.79 0.71 -0.23 0.00 0.00 178.00 178.62 2k75 s TYR 15 N -3.61 2.46 0.12 1.56 2.02 -1.26 -2.33 117.35 116.31 2k75 s TYR 15 Ca 0.01 -1.80 -0.09 0.00 -0.37 0.00 0.00 57.07 54.83 2k75 s TYR 15 Cb 0.09 -1.61 -0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2k75 s TYR 15 CO 0.60 -0.78 0.23 0.14 -1.57 0.00 0.00 175.55 174.16 2k75 s VAL 16 N 1.37 0.11 -0.08 0.71 -7.23 -1.02 -1.42 120.40 112.85 2k75 s VAL 16 Ca -0.06 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2k75 s VAL 16 Cb -0.19 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2k75 s VAL 16 CO -0.06 -0.51 -0.15 -0.44 -0.31 0.00 0.00 175.10 173.62 2k75 s SER 17 N -2.90 3.88 0.10 4.85 0.01 -0.23 -0.81 113.70 118.59 2k75 s SER 17 Ca 0.10 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2k75 s SER 17 Cb 0.04 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 2k75 s SER 17 CO -0.07 0.27 -0.03 0.68 0.41 0.00 0.00 173.24 174.50 2k75 s VAL 18 N -0.26 0.47 -0.01 3.43 -7.23 -0.88 -2.30 120.40 113.62 2k75 s VAL 18 Ca 0.01 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2k75 s VAL 18 Cb -0.13 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2k75 s VAL 18 CO 0.03 -0.80 -0.01 -0.51 -0.31 0.00 0.00 175.10 173.50 2k75 s ILE 19 N -3.77 0.14 0.00 -0.62 2.07 -1.26 -1.36 121.20 116.39 2k75 s ILE 19 Ca 0.14 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 2k75 s ILE 19 Cb 0.06 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.50 2k75 s ILE 19 CO -0.04 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2k75 n GLY 20 N 3.31 1.49 3.55 1.50 0.00 -1.10 -4.86 105.19 109.08 2k75 n GLY 20 Ca -0.16 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2k75 n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k75 s LYS 21 N -0.52 3.82 -0.04 1.61 2.20 -0.53 -2.32 119.74 123.96 2k75 s LYS 21 Ca 0.00 -0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 54.92 2k75 s LYS 21 Cb 0.00 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2k75 s LYS 21 CO 0.00 0.12 0.84 0.42 -0.36 0.00 0.00 175.35 176.38 2k75 s ILE 22 N 0.76 4.95 0.11 5.43 -1.09 -0.02 -2.38 121.20 128.95 2k75 s ILE 22 Ca 0.02 1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 60.18 2k75 s ILE 22 Cb -0.14 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 2k75 s ILE 22 CO 0.02 0.19 0.03 0.42 -1.23 0.00 0.00 174.94 174.37 2k75 s THR 23 N 1.00 0.14 -0.26 2.92 -4.23 -0.72 0.14 115.64 114.64 2k75 s THR 23 Ca 0.44 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2k75 s THR 23 Cb -0.19 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2k75 s THR 23 CO 0.22 -0.63 0.02 0.61 -0.54 0.00 0.00 174.62 174.30 2k75 n GLY 24 N -0.03 -3.48 3.67 3.99 0.00 -1.26 -2.00 105.19 106.08 2k75 n GLY 24 Ca -0.08 0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2k75 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k75 s ILE 25 N -1.55 5.36 -0.04 -0.61 -1.09 -1.26 -3.91 121.20 118.09 2k75 s ILE 25 Ca 0.01 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 2k75 s ILE 25 Cb -0.00 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2k75 s ILE 25 CO 0.65 0.36 -0.10 -2.28 -1.23 0.00 0.00 174.94 172.34 2k75 s HIS 26 N 0.93 1.12 -0.17 3.97 2.46 -0.54 -4.99 115.29 118.07 2k75 s HIS 26 Ca 0.08 -0.35 -0.11 0.00 0.47 0.00 0.00 55.06 55.16 2k75 s HIS 26 Cb -0.13 -0.84 -0.05 0.00 -0.13 0.00 0.00 32.58 31.43 2k75 s HIS 26 CO 0.03 -0.18 0.18 0.21 -2.47 0.00 0.00 174.74 172.51 2k75 s LYS 27 N 0.51 4.11 0.08 2.88 2.20 -1.26 -1.26 119.74 126.99 2k75 s LYS 27 Ca -0.09 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 2k75 s LYS 27 Cb -0.13 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2k75 s LYS 27 CO 0.02 0.35 -0.10 0.15 -0.36 0.00 0.00 175.35 175.41 2k75 s LYS 28 N 0.18 0.75 -0.02 4.03 -0.14 -0.03 -4.98 119.74 119.52 2k75 s LYS 28 Ca 0.12 -1.02 0.08 0.00 -1.36 0.00 0.00 55.97 53.78 2k75 s LYS 28 Cb -0.12 -0.49 -0.02 0.00 -1.68 0.00 0.00 37.83 35.52 2k75 s LYS 28 CO 0.01 0.08 -0.25 -1.21 -0.76 0.00 0.00 175.35 173.22 2k75 s GLU 29 N -2.34 2.15 0.08 1.68 2.02 -1.26 -0.15 118.70 120.88 2k75 s GLU 29 Ca 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.04 2k75 s GLU 29 Cb -0.06 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 2k75 s GLU 29 CO 0.00 0.56 0.05 1.52 0.02 0.00 0.00 175.26 177.41 2k75 s TYR 30 N -0.60 0.48 -0.66 1.61 1.13 -1.04 -4.99 117.35 113.29 2k75 s TYR 30 Ca 0.10 -0.97 -0.21 0.00 -1.41 0.00 0.00 57.07 54.58 2k75 s TYR 30 Cb -0.10 -0.31 0.09 0.00 -1.10 0.00 0.00 41.96 40.53 2k75 s TYR 30 CO -0.01 -0.46 0.89 -2.00 -2.51 0.00 0.00 175.55 171.47 2k75 s GLU 31 N -3.93 3.13 0.00 -3.49 2.56 -1.26 -1.98 118.70 113.72 2k75 s GLU 31 Ca 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 54.97 54.00 2k75 s GLU 31 Cb 0.07 -4.29 0.00 0.00 2.00 0.00 0.00 34.13 31.91 2k75 s GLU 31 CO -0.08 -1.73 0.00 -1.13 -0.56 0.00 0.00 175.26 171.77 2k75 n SER 32 N 7.17 0.00 -4.32 -1.70 3.41 0.98 -4.71 113.62 114.45 2k75 n SER 32 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 2k75 n SER 32 Cb 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2k75 n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k75 n ASP 33 N 0.00 -0.49 -0.24 4.04 8.00 -1.26 -2.30 116.55 124.30 2k75 n ASP 33 Ca 0.00 -1.61 -0.02 0.00 0.71 0.00 0.00 54.79 53.86 2k75 n ASP 33 Cb 0.00 -1.05 -0.01 0.00 -0.02 0.00 0.00 41.12 40.04 2k75 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k75 n GLY 34 N 5.41 0.22 2.90 0.44 0.00 -1.26 -4.88 105.19 108.03 2k75 n GLY 34 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2k75 n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k75 s THR 35 N -0.90 0.42 0.04 2.61 2.01 -0.97 -5.12 115.64 113.73 2k75 s THR 35 Ca 0.00 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 2k75 s THR 35 Cb 0.00 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 2k75 s THR 35 CO 0.00 0.17 1.15 -0.89 -0.69 0.00 0.00 174.62 174.36 2k75 s THR 36 N 0.56 4.23 0.03 -0.82 2.01 -1.26 -0.01 115.64 120.38 2k75 s THR 36 Ca -0.07 1.59 0.03 0.00 0.31 0.00 0.00 61.69 63.56 2k75 s THR 36 Cb -0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2k75 s THR 36 CO -0.00 0.12 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.40 2k75 s LYS 37 N 1.13 0.70 0.28 4.92 1.02 -0.84 -4.87 119.74 122.07 2k75 s LYS 37 Ca 0.57 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.76 2k75 s LYS 37 Cb -0.27 -0.63 -0.09 0.00 -0.52 0.00 0.00 37.83 36.32 2k75 s LYS 37 CO 0.28 0.15 0.72 -1.54 -0.92 0.00 0.00 175.35 174.04 2k75 s SER 38 N -1.06 6.86 -0.01 2.83 1.04 -1.26 -2.48 113.70 119.61 2k75 s SER 38 Ca -0.02 1.30 0.01 0.00 0.48 0.00 0.00 55.95 57.71 2k75 s SER 38 Cb -0.07 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2k75 s SER 38 CO 0.01 -0.11 -0.02 0.54 0.98 0.00 0.00 173.24 174.63 2k75 s VAL 39 N -1.81 0.20 -0.14 5.02 0.11 0.79 -2.38 120.40 122.19 2k75 s VAL 39 Ca 0.50 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 2k75 s VAL 39 Cb -0.12 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2k75 s VAL 39 CO 0.19 0.08 0.07 -0.31 -3.33 0.00 0.00 175.10 171.79 2k75 s TYR 40 N 0.19 3.32 0.16 1.54 1.51 0.11 -0.85 117.35 123.34 2k75 s TYR 40 Ca -0.02 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.36 2k75 s TYR 40 Cb -0.04 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2k75 s TYR 40 CO -0.00 0.39 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.99 2k75 s GLN 41 N -0.31 1.27 0.00 -0.62 -0.21 -0.39 0.19 119.66 119.59 2k75 s GLN 41 Ca 0.09 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.06 2k75 s GLN 41 Cb -0.12 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.56 2k75 s GLN 41 CO 0.02 0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 2k75 n GLY 42 N 0.29 0.84 3.18 3.09 0.00 -0.93 -1.47 105.19 110.19 2k75 n GLY 42 Ca -0.13 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 2k75 n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k75 s TYR 43 N -3.09 1.56 0.01 1.61 2.02 -0.85 -1.25 117.35 117.36 2k75 s TYR 43 Ca 0.00 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 2k75 s TYR 43 Cb 0.00 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 2k75 s TYR 43 CO 0.00 0.01 -0.15 -1.50 -1.57 0.00 0.00 175.55 172.34 2k75 s ILE 44 N -0.55 3.04 0.07 2.71 2.07 -0.86 -1.75 121.20 125.92 2k75 s ILE 44 Ca 0.06 -0.98 0.05 0.00 -1.41 0.00 0.00 60.65 58.37 2k75 s ILE 44 Cb -0.07 -2.27 -0.03 0.00 0.13 0.00 0.00 42.46 40.22 2k75 s ILE 44 CO 0.00 0.41 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.60 2k75 s GLU 45 N -1.26 0.84 0.00 3.50 2.56 -1.00 -2.22 118.70 121.12 2k75 s GLU 45 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 54.97 54.20 2k75 s GLU 45 Cb -0.11 -0.86 0.00 0.00 2.00 0.00 0.00 34.13 35.16 2k75 s GLU 45 CO 0.05 0.20 0.00 -3.47 -0.56 0.00 0.00 175.26 171.47 2k75 n ASP 46 N 1.40 0.00 0.18 -1.70 2.03 -0.80 -1.45 116.55 116.21 2k75 n ASP 46 Ca -0.21 -0.44 0.14 0.00 0.52 0.00 0.00 54.79 54.80 2k75 n ASP 46 Cb 0.54 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.42 2k75 n ASP 46 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k75 h ASP 47 N 0.00 0.00 0.00 1.67 3.32 -2.01 -3.37 116.42 116.03 2k75 h ASP 47 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k75 h ASP 47 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k75 h ASP 47 CO 0.00 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 177.93 2k75 n THR 48 N -2.63 0.00 -1.99 0.35 -1.04 -1.26 -5.11 114.28 102.60 2k75 n THR 48 Ca 0.03 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 2k75 n THR 48 Cb 0.34 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2k75 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k75 n ALA 49 N -1.87 0.00 -2.39 2.41 0.00 -1.26 -5.02 120.51 112.37 2k75 n ALA 49 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2k75 n ALA 49 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2k75 n ALA 49 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k75 s ARG 50 N 1.30 0.63 0.10 0.00 1.70 -1.26 -1.90 118.95 119.52 2k75 s ARG 50 Ca 0.00 -1.09 -0.14 0.00 -0.47 0.00 0.00 55.73 54.04 2k75 s ARG 50 Cb 0.00 -0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.36 2k75 s ARG 50 CO 0.00 -0.04 0.33 -1.50 -1.08 0.00 0.00 175.30 173.01 2k75 s ILE 51 N -2.98 0.09 0.35 4.99 2.07 -0.94 -4.97 121.20 119.81 2k75 s ILE 51 Ca 0.02 -0.76 -0.26 0.00 -1.41 0.00 0.00 60.65 58.25 2k75 s ILE 51 Cb 0.01 -1.19 -0.09 0.00 0.13 0.00 0.00 42.46 41.32 2k75 s ILE 51 CO -0.05 -0.42 1.03 -0.60 -1.91 0.00 0.00 174.94 173.00 2k75 s ARG 52 N -3.68 4.37 0.14 3.50 3.52 -1.26 -2.04 118.95 123.50 2k75 s ARG 52 Ca 0.03 1.53 0.05 0.00 -0.13 0.00 0.00 55.73 57.21 2k75 s ARG 52 Cb 0.02 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2k75 s ARG 52 CO -0.11 0.04 -0.12 0.96 -0.81 0.00 0.00 175.30 175.26 2k75 s ILE 53 N -1.53 1.27 -0.06 4.11 -4.36 -0.38 -1.60 121.20 118.65 2k75 s ILE 53 Ca 0.53 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 2k75 s ILE 53 Cb -0.23 -1.69 0.03 0.00 1.25 0.00 0.00 42.46 41.82 2k75 s ILE 53 CO 0.30 -0.58 0.14 -0.55 0.24 0.00 0.00 174.94 174.49 2k75 s SER 54 N -2.82 -0.12 -0.06 4.36 0.15 0.13 -2.19 113.70 113.14 2k75 s SER 54 Ca 0.13 0.28 0.03 0.00 0.70 0.00 0.00 55.95 57.09 2k75 s SER 54 Cb -0.01 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2k75 s SER 54 CO 0.02 -0.10 -0.14 -0.55 1.20 0.00 0.00 173.24 173.67 2k75 s SER 55 N 0.64 1.94 -0.24 5.45 0.15 0.13 0.00 113.70 121.77 2k75 s SER 55 Ca -0.05 -0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.18 2k75 s SER 55 Cb -0.06 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.42 2k75 s SER 55 CO -0.03 0.08 0.13 -0.36 1.20 0.00 0.00 173.24 174.25 2k75 s PHE 56 N 0.45 3.22 0.00 3.44 0.08 -1.06 0.06 117.98 124.18 2k75 s PHE 56 Ca -0.12 0.01 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2k75 s PHE 56 Cb -0.14 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2k75 s PHE 56 CO 0.04 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 2k75 n GLY 57 N 4.53 1.25 3.75 4.36 0.00 -1.00 -4.76 105.19 113.32 2k75 n GLY 57 Ca -0.15 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2k75 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k75 s LYS 58 N 0.00 4.23 0.33 1.61 1.02 -1.26 -4.98 119.74 120.68 2k75 s LYS 58 Ca 0.00 2.38 -0.16 0.00 0.02 0.00 0.00 55.97 58.21 2k75 s LYS 58 Cb 0.00 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 2k75 s LYS 58 CO 0.00 -0.46 0.76 -1.14 -0.92 0.00 0.00 175.35 173.58 2k75 s GLN 59 N -0.62 4.05 0.13 1.68 2.00 -1.26 -4.73 119.66 120.91 2k75 s GLN 59 Ca 0.59 0.73 0.05 0.00 -2.00 0.00 0.00 55.36 54.73 2k75 s GLN 59 Cb -0.43 -2.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.90 2k75 s GLN 59 CO 0.46 0.15 -0.12 -0.51 -0.50 0.00 0.00 175.29 174.78 2k75 s LEU 60 N -2.93 2.46 0.09 3.68 1.43 -1.26 -5.16 118.68 117.00 2k75 s LEU 60 Ca 0.54 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 2k75 s LEU 60 Cb -0.11 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 2k75 s LEU 60 CO 0.17 -0.24 -0.21 -1.10 0.23 0.00 0.00 176.35 175.20 2k75 s GLN 61 N -3.17 1.20 0.49 1.70 1.11 -1.26 -5.04 119.66 114.68 2k75 s GLN 61 Ca 0.12 -1.13 -0.22 0.00 0.01 0.00 0.00 55.36 54.14 2k75 s GLN 61 Cb -0.01 -1.45 -0.07 0.00 -1.01 0.00 0.00 33.01 30.47 2k75 s GLN 61 CO 0.02 0.34 1.22 0.16 0.01 0.00 0.00 175.29 177.04 2k75 s ASP 62 N -1.77 5.89 -0.39 5.90 -4.77 -1.26 -4.14 116.67 116.13 2k75 s ASP 62 Ca 0.07 2.43 -0.27 0.00 -3.30 0.00 0.00 52.55 51.48 2k75 s ASP 62 Cb -0.10 -2.61 0.04 0.00 -1.09 0.00 0.00 42.92 39.16 2k75 s ASP 62 CO 0.04 -1.12 0.55 -1.54 0.70 0.00 0.00 175.17 173.80 2k75 n SER 63 N -0.67 -6.47 -3.68 2.11 3.41 0.37 -4.94 113.62 103.75 2k75 n SER 63 Ca 0.08 0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.78 2k75 n SER 63 Cb 0.47 -2.95 -0.10 0.00 -0.26 0.00 0.00 64.21 61.37 2k75 n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k75 s ASP 64 N -1.77 -0.36 -0.36 4.04 2.15 -0.85 -4.89 116.67 114.62 2k75 s ASP 64 Ca 0.29 0.94 -0.29 0.00 0.43 0.00 0.00 52.55 53.92 2k75 s ASP 64 Cb -0.04 1.06 0.02 0.00 -0.30 0.00 0.00 42.92 43.65 2k75 s ASP 64 CO 0.76 -0.21 1.11 -0.69 -0.17 0.00 0.00 175.17 175.97 2k75 s VAL 65 N 2.03 4.39 0.11 1.11 1.01 -1.26 -0.84 120.40 126.95 2k75 s VAL 65 Ca -0.05 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2k75 s VAL 65 Cb -0.10 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2k75 s VAL 65 CO -0.13 -0.62 0.02 0.68 0.00 0.00 0.00 175.10 175.05 2k75 s VAL 66 N 3.94 0.23 -0.07 2.92 -7.23 -0.98 -1.67 120.40 117.54 2k75 s VAL 66 Ca 0.47 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2k75 s VAL 66 Cb -0.11 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 2k75 s VAL 66 CO 0.20 -0.62 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.57 2k75 s ARG 67 N -3.99 2.42 -0.18 4.82 3.52 0.34 -2.71 118.95 123.17 2k75 s ARG 67 Ca 0.19 -0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 54.99 2k75 s ARG 67 Cb 0.07 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 2k75 s ARG 67 CO -0.01 0.23 0.01 0.42 -0.81 0.00 0.00 175.30 175.13 2k75 s ILE 68 N 0.19 4.20 -0.02 4.11 1.01 -0.47 -1.25 121.20 128.98 2k75 s ILE 68 Ca -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2k75 s ILE 68 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 2k75 s ILE 68 CO 0.05 0.46 -0.06 -0.62 0.00 0.00 0.00 174.94 174.78 2k75 s ASP 69 N 0.53 4.70 -1.32 3.58 -1.08 -0.43 -2.08 116.67 120.57 2k75 s ASP 69 Ca -0.01 -0.09 -0.09 0.00 -0.52 0.00 0.00 52.55 51.85 2k75 s ASP 69 Cb -0.14 -1.14 0.01 0.00 -1.46 0.00 0.00 42.92 40.19 2k75 s ASP 69 CO 0.02 0.31 1.14 -3.20 0.52 0.00 0.00 175.17 173.95 2k75 n ASN 70 N 1.72 -6.26 -4.78 -0.34 5.15 -1.24 -2.57 115.26 106.94 2k75 n ASN 70 Ca -0.16 -0.52 -0.35 0.00 -0.60 0.00 0.00 54.58 52.95 2k75 n ASN 70 Cb 0.53 -4.89 -0.00 0.00 -0.53 0.00 0.00 39.78 34.88 2k75 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k75 s ALA 71 N -3.31 2.74 -0.21 5.20 0.00 0.01 -4.58 121.76 121.61 2k75 s ALA 71 Ca 0.56 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 53.24 2k75 s ALA 71 Cb -0.25 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2k75 s ALA 71 CO 0.70 -0.70 0.10 0.50 0.00 0.00 0.00 175.76 176.36 2k75 s ARG 72 N -3.23 3.96 -0.08 0.00 3.52 -0.80 -2.43 118.95 119.89 2k75 s ARG 72 Ca 0.71 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.81 2k75 s ARG 72 Cb -0.23 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 2k75 s ARG 72 CO 0.26 0.13 0.45 0.08 -0.81 0.00 0.00 175.30 175.42 2k75 s VAL 73 N 0.79 5.13 0.04 7.11 1.01 -0.98 0.10 120.40 133.59 2k75 s VAL 73 Ca 0.05 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 2k75 s VAL 73 Cb -0.13 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2k75 s VAL 73 CO 0.02 0.40 0.06 0.00 0.00 0.00 0.00 175.10 175.58 2k75 s ALA 74 N 0.10 0.09 -0.22 5.51 0.00 -0.50 -4.88 121.76 121.86 2k75 s ALA 74 Ca 0.25 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 2k75 s ALA 74 Cb -0.16 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2k75 s ALA 74 CO 0.11 -0.34 -0.06 -1.14 0.00 0.00 0.00 175.76 174.34 2k75 s GLN 75 N -2.98 3.27 -0.05 0.00 0.74 -1.26 -0.83 119.66 118.55 2k75 s GLN 75 Ca -0.02 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.74 2k75 s GLN 75 Cb 0.01 -2.97 -0.00 0.00 1.10 0.00 0.00 33.01 31.14 2k75 s GLN 75 CO -0.06 -0.23 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.21 2k75 s PHE 76 N 1.44 1.84 -1.45 1.67 0.08 0.28 -4.70 117.98 117.13 2k75 s PHE 76 Ca 0.05 -0.57 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 2k75 s PHE 76 Cb -0.14 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.07 2k75 s PHE 76 CO -0.04 -0.21 0.11 0.09 -0.10 0.00 0.00 175.22 175.06 2k75 n ASN 77 N 3.25 -5.05 0.00 1.36 3.02 -1.26 -0.10 115.26 116.48 2k75 n ASN 77 Ca -0.19 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2k75 n ASN 77 Cb 0.53 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 2k75 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k75 n GLY 78 N -1.01 0.60 3.43 7.41 0.00 -1.26 -5.00 105.19 109.37 2k75 n GLY 78 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2k75 n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k75 s TYR 79 N -2.63 2.72 0.39 1.61 2.02 0.86 -5.11 117.35 117.22 2k75 s TYR 79 Ca 0.00 -0.34 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 2k75 s TYR 79 Cb 0.00 -1.70 -0.09 0.00 -0.40 0.00 0.00 41.96 39.77 2k75 s TYR 79 CO 0.00 0.04 1.01 -0.51 -1.57 0.00 0.00 175.55 174.53 2k75 s LEU 80 N -0.36 4.14 0.13 -1.29 1.43 -1.26 -0.56 118.68 120.90 2k75 s LEU 80 Ca 0.04 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 2k75 s LEU 80 Cb -0.12 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2k75 s LEU 80 CO 0.02 -0.40 0.38 -0.94 0.23 0.00 0.00 176.35 175.65 2k75 s SER 81 N -1.68 -0.18 -0.19 2.29 1.04 -0.01 -4.24 113.70 110.74 2k75 s SER 81 Ca 0.57 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.56 2k75 s SER 81 Cb -0.19 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2k75 s SER 81 CO 0.24 -0.85 0.01 -0.76 0.98 0.00 0.00 173.24 172.87 2k75 s LEU 82 N -2.82 3.40 -0.16 2.42 1.43 -0.63 -1.40 118.68 120.92 2k75 s LEU 82 Ca 0.04 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2k75 s LEU 82 Cb 0.02 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2k75 s LEU 82 CO -0.11 0.10 -0.03 -0.55 0.23 0.00 0.00 176.35 176.00 2k75 s SER 83 N 0.79 4.88 -0.36 2.29 0.15 0.11 0.18 113.70 121.75 2k75 s SER 83 Ca 0.01 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.43 2k75 s SER 83 Cb -0.14 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2k75 s SER 83 CO 0.02 0.16 0.23 -0.69 1.20 0.00 0.00 173.24 174.17 2k75 s VAL 84 N 0.39 4.94 0.53 4.45 1.01 0.10 -1.91 120.40 129.92 2k75 s VAL 84 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2k75 s VAL 84 Cb -0.14 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2k75 s VAL 84 CO 0.03 -0.15 0.74 0.61 0.00 0.00 0.00 175.10 176.32 2k75 n GLY 85 N 5.07 1.06 0.21 4.51 0.00 -1.26 -2.56 105.19 112.21 2k75 n GLY 85 Ca -0.12 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 43.98 2k75 n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k75 h ASP 86 N -0.30 0.00 0.93 1.61 3.32 -1.98 -2.03 116.42 117.97 2k75 h ASP 86 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2k75 h ASP 86 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2k75 h ASP 86 CO 0.29 0.00 -0.30 -1.20 -1.72 0.00 0.00 179.24 176.30 2k75 n SER 87 N -2.68 0.49 -4.92 6.45 7.64 -1.26 -4.86 113.62 114.49 2k75 n SER 87 Ca 0.01 0.22 -0.27 0.00 1.01 0.00 0.00 58.87 59.84 2k75 n SER 87 Cb 0.26 -0.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.30 2k75 n SER 87 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k75 s SER 88 N -3.66 5.73 0.01 6.43 0.01 -0.77 -4.97 113.70 116.49 2k75 s SER 88 Ca 0.10 0.73 0.06 0.00 1.31 0.00 0.00 55.95 58.15 2k75 s SER 88 Cb 0.16 -1.80 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2k75 s SER 88 CO 0.64 -0.96 -0.18 -0.13 0.41 0.00 0.00 173.24 173.03 2k75 s ARG 89 N -4.92 1.29 -0.11 12.44 1.81 -1.06 -4.89 118.95 123.51 2k75 s ARG 89 Ca 0.52 -0.74 0.03 0.00 -1.72 0.00 0.00 55.73 53.82 2k75 s ARG 89 Cb -0.10 -1.31 -0.00 0.00 -0.45 0.00 0.00 34.95 33.08 2k75 s ARG 89 CO 0.45 0.34 -0.20 0.42 -0.68 0.00 0.00 175.30 175.63 2k75 s ILE 90 N -0.61 2.39 -0.13 1.52 1.01 -1.26 -1.31 121.20 122.80 2k75 s ILE 90 Ca 0.06 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2k75 s ILE 90 Cb -0.07 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.47 2k75 s ILE 90 CO 0.00 0.55 -0.14 -1.61 0.00 0.00 0.00 174.94 173.75 2k75 s GLU 91 N 0.36 2.19 0.57 2.79 2.02 -0.38 -4.96 118.70 121.30 2k75 s GLU 91 Ca -0.16 -0.52 -0.14 0.00 0.02 0.00 0.00 54.97 54.16 2k75 s GLU 91 Cb -0.17 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 2k75 s GLU 91 CO 0.08 -0.19 1.02 -1.54 0.02 0.00 0.00 175.26 174.64 2k75 s SER 92 N 1.38 6.25 -0.09 -0.19 1.04 -1.26 -0.51 113.70 120.32 2k75 s SER 92 Ca 0.02 1.57 0.04 0.00 0.48 0.00 0.00 55.95 58.06 2k75 s SER 92 Cb -0.13 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2k75 s SER 92 CO -0.08 -0.84 -0.22 -0.69 0.98 0.00 0.00 173.24 172.39 2k75 s VAL 93 N -2.79 1.86 -0.57 5.02 1.01 -0.67 -4.88 120.40 119.37 2k75 s VAL 93 Ca 0.58 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2k75 s VAL 93 Cb -0.12 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.72 2k75 s VAL 93 CO 0.41 0.52 0.78 0.20 0.00 0.00 0.00 175.10 177.00 2k75 s ASN 94 N 0.37 6.22 -0.04 3.32 0.01 -1.26 -4.74 114.94 118.82 2k75 s ASN 94 Ca -0.17 -0.94 0.14 0.00 -0.71 0.00 0.00 52.86 51.18 2k75 s ASN 94 Cb -0.17 -2.35 -0.21 0.00 0.41 0.00 0.00 41.25 38.93 2k75 s ASN 94 CO 0.08 -1.13 0.26 0.55 -1.51 0.00 0.00 177.10 175.34 2k75 n VAL 95 N 5.78 0.20 -0.67 1.60 3.14 -1.26 -4.98 118.33 122.14 2k75 n VAL 95 Ca -0.05 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 2k75 n VAL 95 Cb 0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 2k75 n VAL 95 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2k75 n ASN 96 N -2.11 -0.72 0.03 6.55 5.15 -1.26 -4.27 115.26 118.62 2k75 n ASN 96 Ca -0.07 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.83 2k75 n ASN 96 Cb 0.50 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.69 2k75 n ASN 96 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2k75 h ILE 97 N 0.00 0.63 -4.07 -1.44 5.03 -2.04 -3.46 117.51 112.16 2k75 h ILE 97 Ca 0.00 -1.21 -0.53 0.00 -0.12 0.00 0.00 64.86 63.00 2k75 h ILE 97 Cb 0.00 1.12 0.12 0.00 -3.03 0.00 0.00 36.82 35.03 2k75 h ILE 97 CO 0.00 0.19 0.52 -2.16 -0.68 0.00 0.00 178.15 176.02 2k75 s PRO 98 N -2.68 3.11 -0.06 2.37 0.04 -1.26 -4.98 135.00 131.55 2k75 s PRO 98 Ca -0.09 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.64 2k75 s PRO 98 Cb -0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2k75 s PRO 98 CO 0.34 -1.13 0.86 -0.51 0.04 0.00 0.00 177.00 176.60 2k75 s LEU 99 N -3.75 4.31 -0.21 -3.56 1.43 -1.26 -4.96 118.68 110.68 2k75 s LEU 99 Ca 0.74 1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 2k75 s LEU 99 Cb -0.34 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2k75 s LEU 99 CO 0.38 -0.24 0.44 -1.61 0.23 0.00 0.00 176.35 175.55 2k75 s GLU 100 N 1.16 4.15 0.10 1.70 2.02 -1.26 -5.05 118.70 121.52 2k75 s GLU 100 Ca 0.44 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 2k75 s GLU 100 Cb -0.19 -3.57 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2k75 s GLU 100 CO 0.21 -0.12 0.97 -1.01 0.02 0.00 0.00 175.26 175.34 2k75 s HIS 101 N 1.55 3.78 -0.43 1.61 3.76 -1.26 -5.01 115.29 119.30 2k75 s HIS 101 Ca 0.20 1.78 -0.20 0.00 -0.15 0.00 0.00 55.06 56.69 2k75 s HIS 101 Cb -0.15 -3.07 0.02 0.00 1.11 0.00 0.00 32.58 30.49 2k75 s HIS 101 CO 0.09 0.15 0.59 -1.58 -0.85 0.00 0.00 174.74 173.14 2k75 s HIS 102 N 0.14 3.09 0.12 1.40 2.46 -1.26 -4.62 115.29 116.63 2k75 s HIS 102 Ca 0.48 -0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.90 2k75 s HIS 102 Cb -0.23 -3.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.99 2k75 s HIS 102 CO 0.30 -0.81 0.00 -2.39 -2.47 0.00 0.00 174.74 169.36 2k75 n HIS 103 N 6.09 -2.75 0.63 3.88 1.44 -1.26 -4.90 115.22 118.35 2k75 n HIS 103 Ca -0.03 0.42 0.12 0.00 -2.01 0.00 0.00 57.72 56.23 2k75 n HIS 103 Cb 0.48 1.35 0.27 0.00 0.12 0.00 0.00 29.99 32.21 2k75 n HIS 103 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k75 n HIS 104 N -2.71 0.62 -2.70 -1.40 8.25 -1.26 -4.83 115.22 111.19 2k75 n HIS 104 Ca 0.00 0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 2k75 n HIS 104 Cb 0.00 -0.71 -0.05 0.00 1.12 0.00 0.00 29.99 30.35 2k75 n HIS 104 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k75 s HIS 105 N -3.13 3.80 0.00 4.41 4.02 -1.26 -5.27 115.29 117.86 2k75 s HIS 105 Ca 0.08 1.79 0.00 0.00 1.02 0.00 0.00 55.06 57.95 2k75 s HIS 105 Cb 0.14 -3.08 0.00 0.00 -1.02 0.00 0.00 32.58 28.62 2k75 s HIS 105 CO 0.67 0.11 0.00 1.58 1.02 0.00 0.00 174.74 178.13