#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 -0.38 0.04 6.43 -1.08 -1.26 -4.96 116.67 115.46 2k75 s ASP 2 Ca 0.00 0.64 -0.30 0.00 -0.52 0.00 0.00 52.55 52.37 2k75 s ASP 2 Cb 0.00 0.99 -0.06 0.00 -1.46 0.00 0.00 42.92 42.39 2k75 s ASP 2 CO 0.00 -0.10 1.36 -0.22 0.52 0.00 0.00 175.17 176.73 2k75 s LEU 3 N 0.91 4.34 0.10 -1.34 2.96 -1.26 -1.22 118.68 123.17 2k75 s LEU 3 Ca -0.04 2.15 -0.01 0.00 -0.22 0.00 0.00 54.13 56.01 2k75 s LEU 3 Cb -0.04 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2k75 s LEU 3 CO -0.12 -0.66 0.01 0.68 -1.32 0.00 0.00 176.35 174.93 2k75 s VAL 4 N 1.88 0.25 0.53 1.68 -7.23 -0.87 -4.92 120.40 111.72 2k75 s VAL 4 Ca 0.63 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 2k75 s VAL 4 Cb -0.32 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 34.74 2k75 s VAL 4 CO 0.28 -0.72 1.01 -0.54 -0.31 0.00 0.00 175.10 174.81 2k75 s LYS 5 N -3.97 3.79 0.16 4.82 1.02 -1.26 -4.70 119.74 119.59 2k75 s LYS 5 Ca 0.16 1.04 -0.13 0.00 0.02 0.00 0.00 55.97 57.06 2k75 s LYS 5 Cb 0.07 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 35.32 2k75 s LYS 5 CO -0.03 -0.41 1.72 0.82 -0.92 0.00 0.00 175.35 176.53 2k75 h ILE 6 N 0.84 1.21 0.00 2.17 2.04 -1.96 -1.90 117.51 119.91 2k75 h ILE 6 Ca -0.47 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2k75 h ILE 6 Cb 1.19 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2k75 h ILE 6 CO 0.60 0.25 0.00 -0.09 0.00 0.00 0.00 178.15 178.91 2k75 h ARG 7 N 0.71 0.00 -0.13 2.37 2.43 -1.93 -1.56 114.38 116.28 2k75 h ARG 7 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2k75 h ARG 7 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2k75 h ARG 7 CO -0.02 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.19 2k75 n ASP 8 N -2.80 1.90 -4.74 -3.80 8.00 -0.73 -4.91 116.55 109.47 2k75 n ASP 8 Ca -0.00 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.39 2k75 n ASP 8 Cb 0.21 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.85 2.90 0.21 2.53 1.01 -0.59 -4.90 120.40 119.71 2k75 s VAL 9 Ca 0.34 0.73 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 2k75 s VAL 9 Cb 0.19 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 33.15 2k75 s VAL 9 CO 0.30 0.10 0.60 -0.94 0.00 0.00 0.00 175.10 175.15 2k75 s SER 10 N 0.53 -0.34 0.58 3.32 1.04 -1.26 -5.01 113.70 112.55 2k75 s SER 10 Ca 0.60 -0.39 0.34 0.00 0.48 0.00 0.00 55.95 56.99 2k75 s SER 10 Cb -0.40 0.63 1.77 0.00 0.10 0.00 0.00 66.02 68.12 2k75 s SER 10 CO 0.39 -1.11 2.17 -0.07 0.98 0.00 0.00 173.24 175.59 2k75 h LEU 11 N 2.09 0.00 -2.08 2.42 3.38 -1.95 -1.50 115.31 117.66 2k75 h LEU 11 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2k75 h LEU 11 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k75 h LEU 11 CO 0.33 0.05 0.08 -1.28 0.09 0.00 0.00 178.44 177.71 2k75 h SER 12 N 0.00 0.00 -2.88 -0.43 0.87 -1.97 -3.18 113.55 105.97 2k75 h SER 12 Ca -0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 2k75 h SER 12 Cb 0.24 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.79 2k75 h SER 12 CO 0.01 0.00 -0.70 0.42 -0.53 0.00 0.00 176.83 176.03 2k75 s THR 13 N -3.84 2.09 0.29 2.23 -4.23 -0.56 -4.96 115.64 106.65 2k75 s THR 13 Ca -0.03 -3.76 0.03 0.00 -1.18 0.00 0.00 61.69 56.75 2k75 s THR 13 Cb 0.09 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.84 2k75 s THR 13 CO 0.28 -1.08 1.81 -0.65 -0.54 0.00 0.00 174.62 174.45 2k75 h PRO 14 N 5.48 0.86 -5.41 3.99 0.11 -1.76 -3.40 132.00 131.88 2k75 h PRO 14 Ca 0.18 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.58 2k75 h PRO 14 Cb 0.80 -0.19 -0.27 0.00 0.11 0.00 0.00 31.00 31.44 2k75 h PRO 14 CO 0.61 0.57 -0.78 0.71 -0.21 0.00 0.00 178.00 178.90 2k75 s TYR 15 N -5.91 2.76 0.35 0.65 2.02 -1.26 -1.16 117.35 114.81 2k75 s TYR 15 Ca -0.12 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 55.85 2k75 s TYR 15 Cb 0.24 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2k75 s TYR 15 CO 0.81 -0.21 0.58 0.14 -1.57 0.00 0.00 175.55 175.29 2k75 s VAL 16 N 0.26 0.00 -0.05 0.71 -7.23 -0.94 -4.67 120.40 108.48 2k75 s VAL 16 Ca -0.10 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2k75 s VAL 16 Cb -0.16 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.09 2k75 s VAL 16 CO 0.06 0.00 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.30 2k75 s SER 17 N -3.18 1.54 0.10 4.85 0.01 -0.35 0.43 113.70 117.10 2k75 s SER 17 Ca 0.25 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.27 2k75 s SER 17 Cb -0.02 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 2k75 s SER 17 CO 0.17 0.03 -0.03 0.68 0.41 0.00 0.00 173.24 174.50 2k75 s VAL 18 N 0.59 0.47 -0.01 3.43 -7.23 0.06 -2.06 120.40 115.64 2k75 s VAL 18 Ca -0.11 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 2k75 s VAL 18 Cb -0.14 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.05 2k75 s VAL 18 CO 0.02 -0.79 0.11 -0.51 -0.31 0.00 0.00 175.10 173.63 2k75 s ILE 19 N -3.78 0.06 -2.74 -0.62 2.07 -1.26 -0.75 121.20 114.19 2k75 s ILE 19 Ca 0.14 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2k75 s ILE 19 Cb 0.07 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.33 2k75 s ILE 19 CO -0.04 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.33 2k75 n GLY 20 N 2.00 -0.64 3.78 1.50 0.00 -1.04 -4.73 105.19 106.05 2k75 n GLY 20 Ca -0.19 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 2k75 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k75 s LYS 21 N -1.09 3.07 -0.17 1.61 1.02 -0.95 -2.13 119.74 121.09 2k75 s LYS 21 Ca 0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 2k75 s LYS 21 Cb 0.00 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2k75 s LYS 21 CO 0.00 0.66 0.19 0.42 -0.92 0.00 0.00 175.35 175.69 2k75 s ILE 22 N -1.16 5.39 0.10 2.17 -1.09 -1.00 -2.39 121.20 123.21 2k75 s ILE 22 Ca 0.22 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.97 2k75 s ILE 22 Cb -0.12 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2k75 s ILE 22 CO 0.13 0.47 -0.08 0.42 -1.23 0.00 0.00 174.94 174.65 2k75 s THR 23 N 0.05 0.76 0.00 2.92 -4.23 -0.03 0.76 115.64 115.87 2k75 s THR 23 Ca 0.12 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2k75 s THR 23 Cb -0.12 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.20 2k75 s THR 23 CO 0.01 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 2k75 n GLY 24 N 0.21 1.95 2.72 3.99 0.00 -1.26 -0.54 105.19 112.26 2k75 n GLY 24 Ca -0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 2k75 n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k75 n ILE 25 N 0.00 -7.02 -4.53 -0.61 2.08 -1.13 -4.97 119.36 103.17 2k75 n ILE 25 Ca 0.00 1.46 -0.24 0.00 0.56 0.00 0.00 62.75 64.54 2k75 n ILE 25 Cb 0.00 -4.43 -0.16 0.00 -0.75 0.00 0.00 39.64 34.30 2k75 n ILE 25 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2k75 s HIS 26 N -0.33 1.32 -0.09 1.39 3.76 0.12 -4.92 115.29 116.54 2k75 s HIS 26 Ca -0.12 -0.45 -0.16 0.00 -0.15 0.00 0.00 55.06 54.18 2k75 s HIS 26 Cb 0.01 -0.97 -0.05 0.00 1.11 0.00 0.00 32.58 32.68 2k75 s HIS 26 CO 0.33 -0.23 0.41 0.21 -0.85 0.00 0.00 174.74 174.61 2k75 s LYS 27 N 0.57 4.18 0.02 1.40 2.20 -1.26 -1.37 119.74 125.47 2k75 s LYS 27 Ca -0.12 0.35 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 2k75 s LYS 27 Cb -0.14 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2k75 s LYS 27 CO 0.03 0.35 0.20 0.21 -0.36 0.00 0.00 175.35 175.78 2k75 s LYS 28 N 0.03 0.63 0.02 4.03 2.20 -0.83 -4.99 119.74 120.82 2k75 s LYS 28 Ca 0.23 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 2k75 s LYS 28 Cb -0.15 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2k75 s LYS 28 CO 0.10 -0.17 -0.07 -1.21 -0.36 0.00 0.00 175.35 173.63 2k75 s GLU 29 N -1.97 2.49 0.14 4.03 2.02 -1.26 -0.42 118.70 123.73 2k75 s GLU 29 Ca -0.10 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 2k75 s GLU 29 Cb -0.04 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 2k75 s GLU 29 CO -0.01 0.59 0.22 1.52 0.02 0.00 0.00 175.26 177.61 2k75 s TYR 30 N -1.02 0.42 0.16 1.61 1.13 -0.99 -4.98 117.35 113.68 2k75 s TYR 30 Ca 0.17 -0.80 -0.19 0.00 -1.41 0.00 0.00 57.07 54.84 2k75 s TYR 30 Cb -0.11 -0.13 -0.07 0.00 -1.10 0.00 0.00 41.96 40.55 2k75 s TYR 30 CO 0.08 -0.65 0.65 -1.83 -2.51 0.00 0.00 175.55 171.29 2k75 s GLU 31 N -3.96 4.22 -0.21 -3.49 -1.05 -1.26 -1.99 118.70 110.96 2k75 s GLU 31 Ca 0.16 0.79 -0.04 0.00 -0.15 0.00 0.00 54.97 55.72 2k75 s GLU 31 Cb 0.04 -3.04 0.10 0.00 -0.44 0.00 0.00 34.13 30.79 2k75 s GLU 31 CO -0.02 0.51 0.27 0.45 0.95 0.00 0.00 175.26 177.42 2k75 s SER 32 N -1.45 0.98 -1.43 0.83 0.15 0.13 -4.86 113.70 108.05 2k75 s SER 32 Ca 0.37 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 2k75 s SER 32 Cb -0.18 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2k75 s SER 32 CO 0.21 -0.31 0.18 0.47 1.20 0.00 0.00 173.24 174.98 2k75 n ASP 33 N 5.33 -5.00 0.00 5.45 8.00 -1.26 -0.23 116.55 128.85 2k75 n ASP 33 Ca -0.05 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2k75 n ASP 33 Cb 0.50 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 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 -1.06 0.51 3.08 0.44 0.00 -1.26 -5.04 105.19 101.86 2k75 n GLY 34 Ca -0.16 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 2k75 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k75 s THR 35 N -2.00 1.20 -0.06 2.61 -4.23 0.69 -5.12 115.64 108.74 2k75 s THR 35 Ca 0.00 -0.58 -0.27 0.00 -1.18 0.00 0.00 61.69 59.67 2k75 s THR 35 Cb 0.00 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 2k75 s THR 35 CO 0.00 0.36 0.84 -0.89 -0.54 0.00 0.00 174.62 174.39 2k75 s THR 36 N 0.19 4.94 0.02 3.99 2.01 -1.26 0.17 115.64 125.69 2k75 s THR 36 Ca -0.06 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.70 2k75 s THR 36 Cb -0.11 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2k75 s THR 36 CO 0.02 0.17 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.52 2k75 s LYS 37 N 1.14 0.43 0.50 4.92 1.02 -0.84 -4.96 119.74 121.95 2k75 s LYS 37 Ca 0.44 -0.42 -0.18 0.00 0.02 0.00 0.00 55.97 55.83 2k75 s LYS 37 Cb -0.19 -0.31 -0.08 0.00 -0.52 0.00 0.00 37.83 36.72 2k75 s LYS 37 CO 0.21 0.07 0.98 -1.54 -0.92 0.00 0.00 175.35 174.15 2k75 s SER 38 N -0.76 6.67 -0.02 2.83 1.04 -1.26 -2.36 113.70 119.84 2k75 s SER 38 Ca -0.04 1.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.98 2k75 s SER 38 Cb -0.05 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.55 2k75 s SER 38 CO 0.00 -0.55 0.06 0.54 0.98 0.00 0.00 173.24 174.27 2k75 s VAL 39 N -2.51 0.01 -0.17 5.02 0.11 0.44 -2.38 120.40 120.91 2k75 s VAL 39 Ca 0.60 -0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.51 2k75 s VAL 39 Cb -0.10 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2k75 s VAL 39 CO 0.27 -0.03 0.07 -0.31 -3.33 0.00 0.00 175.10 171.77 2k75 s TYR 40 N -0.07 3.30 0.17 1.54 1.51 -0.24 -1.96 117.35 121.60 2k75 s TYR 40 Ca -0.01 0.15 0.11 0.00 -1.01 0.00 0.00 57.07 56.31 2k75 s TYR 40 Cb -0.01 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2k75 s TYR 40 CO 0.00 0.24 -0.23 -0.65 -1.11 0.00 0.00 175.55 173.80 2k75 s GLN 41 N 0.17 1.43 0.00 -0.62 -0.21 -0.47 -0.68 119.66 119.27 2k75 s GLN 41 Ca 0.05 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 53.98 2k75 s GLN 41 Cb -0.12 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.16 2k75 s GLN 41 CO 0.00 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.96 2k75 n GLY 42 N 0.42 1.41 2.93 3.09 0.00 -0.96 0.14 105.19 112.22 2k75 n GLY 42 Ca -0.14 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.85 0.31 -0.11 1.61 1.51 0.30 -2.34 117.35 116.77 2k75 s TYR 43 Ca 0.00 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 2k75 s TYR 43 Cb 0.00 -0.20 -0.01 0.00 -0.11 0.00 0.00 41.96 41.64 2k75 s TYR 43 CO 0.00 -0.01 -0.18 -1.50 -1.11 0.00 0.00 175.55 172.75 2k75 s ILE 44 N -0.08 2.62 0.21 2.71 2.07 -0.84 -0.85 121.20 127.04 2k75 s ILE 44 Ca 0.01 -0.82 0.11 0.00 -1.41 0.00 0.00 60.65 58.53 2k75 s ILE 44 Cb -0.01 -2.06 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 2k75 s ILE 44 CO -0.00 0.54 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.71 2k75 s GLU 45 N 0.23 1.78 0.00 3.50 2.12 -1.01 -1.96 118.70 123.37 2k75 s GLU 45 Ca -0.12 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.73 2k75 s GLU 45 Cb -0.16 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2k75 s GLU 45 CO 0.06 0.40 0.00 -0.40 -0.54 0.00 0.00 175.26 174.78 2k75 n ASP 46 N -0.05 0.11 0.00 -1.70 5.75 -0.91 -2.25 116.55 117.50 2k75 n ASP 46 Ca -0.10 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.81 2k75 n ASP 46 Cb 0.57 0.00 0.62 0.00 -1.03 0.00 0.00 41.12 41.28 2k75 n ASP 46 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2k75 n ASP 47 N 0.00 0.00 0.00 -1.12 8.00 -1.26 -4.58 116.55 117.58 2k75 n ASP 47 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2k75 n ASP 47 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2k75 n ASP 47 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k75 n THR 48 N -1.42 0.00 -1.54 -3.53 -2.24 -1.26 -5.15 114.28 99.14 2k75 n THR 48 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2k75 n THR 48 Cb 0.28 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2k75 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k75 n ALA 49 N -2.38 0.00 -2.84 6.98 0.00 -1.26 -5.08 120.51 115.93 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 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 2.68 0.78 0.01 0.00 1.70 -1.26 -2.13 118.95 120.73 2k75 s ARG 50 Ca 0.00 -0.67 -0.04 0.00 -0.47 0.00 0.00 55.73 54.55 2k75 s ARG 50 Cb 0.00 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 2k75 s ARG 50 CO 0.00 -0.24 0.07 -1.50 -1.08 0.00 0.00 175.30 172.55 2k75 s ILE 51 N -2.91 0.10 0.21 4.99 2.07 -0.83 -4.95 121.20 119.89 2k75 s ILE 51 Ca -0.02 -0.79 -0.30 0.00 -1.41 0.00 0.00 60.65 58.12 2k75 s ILE 51 Cb 0.00 -0.39 -0.09 0.00 0.13 0.00 0.00 42.46 42.12 2k75 s ILE 51 CO -0.06 -0.44 1.19 -0.60 -1.91 0.00 0.00 174.94 173.13 2k75 s ARG 52 N -1.47 4.51 0.18 3.50 3.52 -1.26 -1.99 118.95 125.94 2k75 s ARG 52 Ca -0.15 1.89 -0.00 0.00 -0.13 0.00 0.00 55.73 57.34 2k75 s ARG 52 Cb -0.08 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2k75 s ARG 52 CO 0.00 -0.04 0.08 0.96 -0.81 0.00 0.00 175.30 175.50 2k75 s ILE 53 N -0.35 0.19 0.02 4.11 -0.00 -0.99 -2.23 121.20 121.95 2k75 s ILE 53 Ca 0.51 -1.97 -0.11 0.00 -0.00 0.00 0.00 60.65 59.08 2k75 s ILE 53 Cb -0.33 -2.31 0.01 0.00 -0.00 0.00 0.00 42.46 39.83 2k75 s ILE 53 CO 0.39 -0.22 0.24 -0.94 -0.00 0.00 0.00 174.94 174.40 2k75 s SER 54 N -3.14 -0.06 -0.06 4.36 1.04 -0.33 -2.25 113.70 113.26 2k75 s SER 54 Ca 0.32 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 2k75 s SER 54 Cb 0.07 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.51 2k75 s SER 54 CO 0.08 -0.51 -0.01 -0.94 0.98 0.00 0.00 173.24 172.83 2k75 s SER 55 N -1.77 1.21 -0.08 7.02 1.04 0.14 -0.63 113.70 120.63 2k75 s SER 55 Ca -0.09 -0.09 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 2k75 s SER 55 Cb -0.03 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2k75 s SER 55 CO -0.01 -0.13 0.64 -0.36 0.98 0.00 0.00 173.24 174.36 2k75 s PHE 56 N 1.49 3.56 0.00 5.02 0.08 -0.80 -1.08 117.98 126.25 2k75 s PHE 56 Ca -0.02 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.18 2k75 s PHE 56 Cb -0.13 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 2k75 s PHE 56 CO -0.03 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.61 2k75 n GLY 57 N 3.14 0.96 3.74 4.36 0.00 -1.00 -4.83 105.19 111.57 2k75 n GLY 57 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 4.44 0.21 1.61 1.02 -1.26 -5.00 119.74 120.76 2k75 s LYS 58 Ca 0.00 2.00 -0.02 0.00 0.02 0.00 0.00 55.97 57.97 2k75 s LYS 58 Cb 0.00 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 2k75 s LYS 58 CO 0.00 -0.14 0.41 -1.14 -0.92 0.00 0.00 175.35 173.56 2k75 s GLN 59 N -0.54 3.55 0.15 1.68 0.74 -1.26 -4.51 119.66 119.47 2k75 s GLN 59 Ca 0.53 -0.25 0.06 0.00 0.05 0.00 0.00 55.36 55.75 2k75 s GLN 59 Cb -0.35 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 2k75 s GLN 59 CO 0.40 0.38 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.87 2k75 s LEU 60 N -3.27 2.47 -0.07 3.68 1.43 -1.26 -5.13 118.68 116.53 2k75 s LEU 60 Ca 0.40 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2k75 s LEU 60 Cb -0.11 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 2k75 s LEU 60 CO 0.29 -0.18 -0.20 -1.10 0.23 0.00 0.00 176.35 175.38 2k75 s GLN 61 N -3.13 2.72 0.26 1.70 -0.21 -1.26 -5.00 119.66 114.74 2k75 s GLN 61 Ca 0.14 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 2k75 s GLN 61 Cb -0.02 -2.32 -0.10 0.00 1.00 0.00 0.00 33.01 31.57 2k75 s GLN 61 CO 0.04 0.40 1.37 0.34 -2.12 0.00 0.00 175.29 175.32 2k75 s ASP 62 N -0.19 6.74 0.00 5.90 -1.08 -1.26 -2.33 116.67 124.45 2k75 s ASP 62 Ca -0.02 2.61 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 2k75 s ASP 62 Cb -0.13 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2k75 s ASP 62 CO 0.03 -0.62 0.00 -1.20 0.52 0.00 0.00 175.17 173.91 2k75 n SER 63 N 1.98 0.00 -4.78 -0.34 7.64 0.23 -4.97 113.62 113.38 2k75 n SER 63 Ca 0.05 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.55 2k75 n SER 63 Cb 0.41 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 2k75 n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k75 s ASP 64 N -3.52 7.39 -0.20 6.43 1.11 -0.98 -4.77 116.67 122.13 2k75 s ASP 64 Ca 0.00 1.81 -0.19 0.00 0.18 0.00 0.00 52.55 54.36 2k75 s ASP 64 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2k75 s ASP 64 CO 0.00 0.02 0.53 -0.69 1.18 0.00 0.00 175.17 176.21 2k75 s VAL 65 N -1.47 5.09 0.08 -1.27 1.01 -1.26 -2.38 120.40 120.20 2k75 s VAL 65 Ca 0.46 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2k75 s VAL 65 Cb -0.21 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2k75 s VAL 65 CO 0.26 0.16 -0.04 0.68 0.00 0.00 0.00 175.10 176.16 2k75 s VAL 66 N 1.72 0.46 -0.12 2.92 -7.23 -0.91 -2.34 120.40 114.90 2k75 s VAL 66 Ca 0.24 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2k75 s VAL 66 Cb -0.15 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.15 2k75 s VAL 66 CO 0.10 -0.89 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.20 2k75 s ARG 67 N -3.88 2.69 -0.17 4.82 3.52 -0.32 -2.48 118.95 123.13 2k75 s ARG 67 Ca 0.11 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2k75 s ARG 67 Cb 0.07 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 2k75 s ARG 67 CO -0.06 0.00 -0.04 0.42 -0.81 0.00 0.00 175.30 174.81 2k75 s ILE 68 N 0.79 3.72 -0.02 4.11 1.01 0.07 -1.74 121.20 129.15 2k75 s ILE 68 Ca -0.09 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2k75 s ILE 68 Cb -0.16 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 2k75 s ILE 68 CO 0.00 0.47 -0.16 -1.81 0.00 0.00 0.00 174.94 173.45 2k75 s ASP 69 N 0.65 3.94 -1.23 3.58 1.01 -0.71 -0.76 116.67 123.15 2k75 s ASP 69 Ca -0.03 -0.27 -0.06 0.00 0.71 0.00 0.00 52.55 52.90 2k75 s ASP 69 Cb -0.14 -0.76 0.01 0.00 1.01 0.00 0.00 42.92 43.03 2k75 s ASP 69 CO 0.02 0.31 0.83 -3.20 0.21 0.00 0.00 175.17 173.35 2k75 n ASN 70 N 2.05 -5.67 -4.77 0.27 5.15 0.72 -2.30 115.26 110.72 2k75 n ASN 70 Ca -0.17 -0.38 -0.40 0.00 -0.60 0.00 0.00 54.58 53.04 2k75 n ASN 70 Cb 0.52 -4.37 -0.02 0.00 -0.53 0.00 0.00 39.78 35.39 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 -3.20 3.32 -0.24 5.20 0.00 0.17 -4.31 121.76 122.70 2k75 s ALA 71 Ca 0.41 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 2k75 s ALA 71 Cb -0.18 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2k75 s ALA 71 CO 0.51 -0.60 0.43 0.50 0.00 0.00 0.00 175.76 176.61 2k75 s ARG 72 N -2.02 4.09 0.05 0.00 3.52 -1.00 -2.21 118.95 121.38 2k75 s ARG 72 Ca 0.53 0.20 -0.28 0.00 -0.13 0.00 0.00 55.73 56.06 2k75 s ARG 72 Cb -0.36 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 2k75 s ARG 72 CO 0.46 -0.22 0.87 0.08 -0.81 0.00 0.00 175.30 175.69 2k75 s VAL 73 N 1.87 4.71 0.04 7.11 1.01 -0.31 0.07 120.40 134.91 2k75 s VAL 73 Ca 0.19 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 2k75 s VAL 73 Cb -0.15 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2k75 s VAL 73 CO 0.09 0.29 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 2k75 s ALA 74 N 0.28 0.29 -0.23 5.51 0.00 -0.11 -4.93 121.76 122.58 2k75 s ALA 74 Ca 0.44 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 2k75 s ALA 74 Cb -0.21 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2k75 s ALA 74 CO 0.26 -0.28 -0.07 -1.14 0.00 0.00 0.00 175.76 174.53 2k75 s GLN 75 N -2.81 3.06 -0.05 0.00 0.74 -1.26 -0.50 119.66 118.84 2k75 s GLN 75 Ca -0.03 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 54.61 2k75 s GLN 75 Cb -0.00 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 31.15 2k75 s GLN 75 CO -0.06 -0.30 -0.22 -0.06 -0.55 0.00 0.00 175.29 174.10 2k75 s PHE 76 N 1.38 2.17 -1.37 1.67 0.08 0.47 -4.66 117.98 117.73 2k75 s PHE 76 Ca 0.03 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 2k75 s PHE 76 Cb -0.15 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 2k75 s PHE 76 CO -0.05 -0.20 0.06 0.09 -0.10 0.00 0.00 175.22 175.01 2k75 n ASN 77 N 3.04 -4.77 0.00 1.36 3.02 -1.26 0.24 115.26 116.88 2k75 n ASN 77 Ca -0.18 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2k75 n ASN 77 Cb 0.52 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 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 -0.94 0.51 3.41 7.41 0.00 -1.26 -5.00 105.19 109.32 2k75 n GLY 78 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.25 2.72 0.39 1.61 2.02 0.14 -5.11 117.35 116.87 2k75 s TYR 79 Ca 0.00 -0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 56.02 2k75 s TYR 79 Cb 0.00 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.75 2k75 s TYR 79 CO 0.00 -0.03 1.04 -0.51 -1.57 0.00 0.00 175.55 174.48 2k75 s LEU 80 N -0.19 4.15 0.16 -1.29 1.43 -1.26 -0.39 118.68 121.29 2k75 s LEU 80 Ca -0.00 2.03 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 2k75 s LEU 80 Cb -0.13 -4.17 0.04 0.00 0.03 0.00 0.00 46.19 41.95 2k75 s LEU 80 CO 0.03 -0.46 0.47 -0.94 0.23 0.00 0.00 176.35 175.68 2k75 s SER 81 N -1.56 -0.28 -0.18 2.29 1.04 0.35 -4.43 113.70 110.93 2k75 s SER 81 Ca 0.57 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 2k75 s SER 81 Cb -0.22 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2k75 s SER 81 CO 0.27 -0.94 0.00 -0.76 0.98 0.00 0.00 173.24 172.79 2k75 s LEU 82 N -2.83 3.40 -0.24 2.42 1.43 -0.95 -0.93 118.68 120.99 2k75 s LEU 82 Ca 0.05 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2k75 s LEU 82 Cb 0.00 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2k75 s LEU 82 CO -0.08 0.13 0.15 -0.44 0.23 0.00 0.00 176.35 176.33 2k75 s SER 83 N 0.62 6.03 -0.14 2.29 0.01 0.11 -1.19 113.70 121.44 2k75 s SER 83 Ca -0.00 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2k75 s SER 83 Cb -0.14 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2k75 s SER 83 CO 0.02 0.07 -0.10 -0.69 0.41 0.00 0.00 173.24 172.95 2k75 s VAL 84 N 1.03 3.33 0.00 3.43 1.01 0.19 -2.38 120.40 127.02 2k75 s VAL 84 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2k75 s VAL 84 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2k75 s VAL 84 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2k75 n GLY 85 N 3.50 4.12 0.28 4.51 0.00 -1.26 -1.90 105.19 114.44 2k75 n GLY 85 Ca -0.18 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.86 -0.77 1.61 3.32 -1.98 -2.83 116.42 116.63 2k75 h ASP 86 Ca 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2k75 h ASP 86 Cb 0.00 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2k75 h ASP 86 CO 0.00 0.76 0.47 0.28 -1.72 0.00 0.00 179.24 179.02 2k75 h SER 87 N 0.91 0.92 -4.46 6.45 0.02 -1.95 -3.43 113.55 112.01 2k75 h SER 87 Ca 0.23 -0.06 -0.49 0.00 -0.84 0.00 0.00 61.79 60.63 2k75 h SER 87 Cb 0.13 -0.23 0.09 0.00 0.14 0.00 0.00 62.40 62.52 2k75 h SER 87 CO -0.03 0.71 0.40 -0.94 -1.14 0.00 0.00 176.83 175.83 2k75 s SER 88 N -6.00 5.00 -0.06 3.07 1.04 -1.07 -4.94 113.70 110.74 2k75 s SER 88 Ca -0.13 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.41 2k75 s SER 88 Cb 0.15 -1.80 0.01 0.00 0.10 0.00 0.00 66.02 64.48 2k75 s SER 88 CO 0.79 -1.62 -0.15 -0.60 0.98 0.00 0.00 173.24 172.64 2k75 s ARG 89 N -5.37 1.77 -0.14 4.02 3.52 -0.97 -4.67 118.95 117.12 2k75 s ARG 89 Ca 0.60 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.68 2k75 s ARG 89 Cb -0.12 -1.48 -0.02 0.00 -1.56 0.00 0.00 34.95 31.77 2k75 s ARG 89 CO 0.52 0.12 -0.12 0.42 -0.81 0.00 0.00 175.30 175.43 2k75 s ILE 90 N 0.38 3.17 -0.08 4.11 1.01 -1.26 -1.74 121.20 126.79 2k75 s ILE 90 Ca -0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 2k75 s ILE 90 Cb -0.14 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.01 2k75 s ILE 90 CO 0.03 0.52 -0.05 -0.70 0.00 0.00 0.00 174.94 174.74 2k75 s GLU 91 N 0.38 1.12 0.60 2.79 2.56 -0.71 -4.97 118.70 120.48 2k75 s GLU 91 Ca -0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 54.97 54.60 2k75 s GLU 91 Cb -0.16 -1.22 -0.04 0.00 2.00 0.00 0.00 34.13 34.72 2k75 s GLU 91 CO 0.05 -0.20 1.04 -1.54 -0.56 0.00 0.00 175.26 174.05 2k75 s SER 92 N 1.48 5.97 -0.00 -1.70 1.04 -1.26 -1.17 113.70 118.06 2k75 s SER 92 Ca -0.01 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.08 2k75 s SER 92 Cb -0.13 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.49 2k75 s SER 92 CO -0.04 -1.04 0.67 1.33 0.98 0.00 0.00 173.24 175.14 2k75 n VAL 93 N -2.26 0.21 1.39 5.02 0.24 -0.99 -4.75 118.33 117.19 2k75 n VAL 93 Ca 0.08 -0.23 0.11 0.00 -2.04 0.00 0.00 64.34 62.26 2k75 n VAL 93 Cb 0.53 0.81 0.43 0.00 -1.47 0.00 0.00 33.84 34.14 2k75 n VAL 93 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2k75 n ASN 94 N -0.12 1.35 -4.18 -1.34 5.15 -1.25 -4.80 115.26 110.06 2k75 n ASN 94 Ca 0.01 -1.63 -0.28 0.00 -0.60 0.00 0.00 54.58 52.07 2k75 n ASN 94 Cb 0.50 -0.08 -0.16 0.00 -0.53 0.00 0.00 39.78 39.51 2k75 n ASN 94 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2k75 s VAL 95 N -1.85 1.69 0.32 3.44 0.11 -1.26 -5.08 120.40 117.76 2k75 s VAL 95 Ca 0.32 -0.86 -0.29 0.00 -2.93 0.00 0.00 61.98 58.23 2k75 s VAL 95 Cb 0.17 -1.45 -0.10 0.00 -1.53 0.00 0.00 36.38 33.47 2k75 s VAL 95 CO 0.26 0.48 1.40 0.21 -3.33 0.00 0.00 175.10 174.12 2k75 s ASN 96 N 0.02 6.62 -0.48 3.54 2.47 -1.26 -4.96 114.94 120.89 2k75 s ASN 96 Ca -0.06 2.77 0.08 0.00 0.42 0.00 0.00 52.86 56.08 2k75 s ASN 96 Cb -0.13 -2.65 0.29 0.00 -1.45 0.00 0.00 41.25 37.32 2k75 s ASN 96 CO 0.03 -0.68 0.71 2.30 -3.72 0.00 0.00 177.10 175.75 2k75 n ILE 97 N 1.24 0.88 -2.13 -5.21 -5.35 -1.26 -5.11 119.36 102.42 2k75 n ILE 97 Ca 0.03 -4.74 -0.33 0.00 -0.27 0.00 0.00 62.75 57.43 2k75 n ILE 97 Cb 0.41 -1.47 0.01 0.00 -1.74 0.00 0.00 39.64 36.84 2k75 n ILE 97 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2k75 s PRO 98 N -2.23 3.34 0.47 6.28 0.04 -1.26 -5.02 135.00 136.62 2k75 s PRO 98 Ca 0.40 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 2k75 s PRO 98 Cb 0.23 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2k75 s PRO 98 CO -0.08 -0.80 1.03 -0.51 0.04 0.00 0.00 177.00 176.67 2k75 s LEU 99 N -4.27 3.88 -0.90 -3.56 1.43 -1.26 -4.08 118.68 109.92 2k75 s LEU 99 Ca 0.66 1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 55.62 2k75 s LEU 99 Cb -0.18 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 2k75 s LEU 99 CO 0.33 -0.72 0.78 1.21 0.23 0.00 0.00 176.35 178.18 2k75 n GLU 100 N -0.87 -2.17 -3.60 1.70 2.13 -1.26 -4.98 120.64 111.59 2k75 n GLU 100 Ca 0.09 0.73 -0.40 0.00 0.66 0.00 0.00 57.16 58.24 2k75 n GLU 100 Cb 0.52 -5.18 -0.10 0.00 0.27 0.00 0.00 31.44 26.96 2k75 n GLU 100 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2k75 s HIS 101 N -3.33 3.36 -0.69 4.31 2.46 -1.26 -4.75 115.29 115.39 2k75 s HIS 101 Ca 0.36 -1.60 -0.11 0.00 0.47 0.00 0.00 55.06 54.17 2k75 s HIS 101 Cb -0.05 -3.06 0.02 0.00 -0.13 0.00 0.00 32.58 29.36 2k75 s HIS 101 CO 0.62 -0.88 0.63 1.58 -2.47 0.00 0.00 174.74 174.23 2k75 n HIS 102 N 4.91 -2.43 -3.76 3.88 -0.00 -1.26 -4.99 115.22 111.58 2k75 n HIS 102 Ca -0.09 0.99 -0.13 0.00 0.46 0.00 0.00 57.72 58.95 2k75 n HIS 102 Cb 0.42 -2.77 -0.11 0.00 -0.12 0.00 0.00 29.99 27.41 2k75 n HIS 102 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k75 s HIS 103 N -2.57 -0.36 -0.27 1.57 5.65 -1.26 -5.04 115.29 113.01 2k75 s HIS 103 Ca 0.12 0.85 0.04 0.00 0.25 0.00 0.00 55.06 56.32 2k75 s HIS 103 Cb -0.01 0.12 0.16 0.00 -1.18 0.00 0.00 32.58 31.66 2k75 s HIS 103 CO 0.86 -0.19 1.06 1.58 -0.65 0.00 0.00 174.74 177.41 2k75 n HIS 104 N 3.21 -0.93 -0.78 3.88 -0.00 -1.26 -4.93 115.22 114.42 2k75 n HIS 104 Ca -0.15 -0.93 -0.04 0.00 0.46 0.00 0.00 57.72 57.06 2k75 n HIS 104 Cb 0.57 1.18 -0.02 0.00 -0.12 0.00 0.00 29.99 31.60 2k75 n HIS 104 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k75 n HIS 105 N -0.57 -0.25 -1.30 1.57 -0.00 -1.26 -5.32 115.22 108.10 2k75 n HIS 105 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2k75 n HIS 105 Cb 0.69 -1.52 0.00 0.00 -0.12 0.00 0.00 29.99 29.03 2k75 n HIS 105 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52