#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cm1 s SER 3 N 0.00 3.05 0.00 4.04 0.01 -1.26 -2.43 113.70 117.11 3cm1 s SER 3 Ca 0.00 -0.48 0.10 0.00 1.31 0.00 0.00 55.95 56.88 3cm1 s SER 3 Cb 0.00 -0.50 -0.09 0.00 0.21 0.00 0.00 66.02 65.64 3cm1 s SER 3 CO 0.00 0.30 0.48 -1.54 0.41 0.00 0.00 173.24 172.88 3cm1 n SER 4 N 2.60 0.62 0.00 2.44 3.41 -0.84 -5.00 113.62 116.86 3cm1 n SER 4 Ca -0.16 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 3cm1 n SER 4 Cb 0.51 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 3cm1 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cm1 n GLY 5 N 1.19 2.94 0.07 5.00 0.00 -1.26 -4.78 105.19 108.35 3cm1 n GLY 5 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3cm1 n GLY 5 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cm1 n THR 6 N -0.06 0.81 -4.01 2.61 5.66 -1.26 -4.99 114.28 113.04 3cm1 n THR 6 Ca 0.00 -0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 60.55 3cm1 n THR 6 Cb 0.00 -0.96 -0.12 0.00 -1.55 0.00 0.00 70.33 67.69 3cm1 n THR 6 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3cm1 s SER 7 N -5.24 0.40 0.05 1.09 0.15 -1.26 -1.50 113.70 107.39 3cm1 s SER 7 Ca -0.17 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.21 3cm1 s SER 7 Cb 0.05 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 3cm1 s SER 7 CO 0.35 -0.15 -0.17 -0.63 1.20 0.00 0.00 173.24 173.84 3cm1 s ILE 8 N -0.89 1.34 0.01 6.45 1.01 0.68 -1.98 121.20 127.83 3cm1 s ILE 8 Ca -0.08 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.41 3cm1 s ILE 8 Cb -0.06 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3cm1 s ILE 8 CO -0.00 0.01 -0.03 -0.89 0.00 0.00 0.00 174.94 174.04 3cm1 s THR 9 N -0.94 0.15 0.21 2.92 2.01 -1.02 -0.72 115.64 118.26 3cm1 s THR 9 Ca 0.03 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3cm1 s THR 9 Cb -0.09 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 3cm1 s THR 9 CO 0.02 -0.19 0.38 0.00 -0.69 0.00 0.00 174.62 174.14 3cm1 s GLU 11 N -4.01 2.43 -0.01 0.00 2.02 -1.26 -0.69 118.70 117.19 3cm1 s GLU 11 Ca 0.22 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.47 3cm1 s GLU 11 Cb 0.01 -2.30 -0.00 0.00 0.10 0.00 0.00 34.13 31.94 3cm1 s GLU 11 CO 0.06 0.59 -0.06 0.08 0.02 0.00 0.00 175.26 175.95 3cm1 s VAL 12 N -0.66 0.49 0.13 2.63 1.01 -0.08 -4.98 120.40 118.93 3cm1 s VAL 12 Ca 0.10 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3cm1 s VAL 12 Cb -0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.78 3cm1 s VAL 12 CO 0.00 0.15 1.12 -0.83 0.00 0.00 0.00 175.10 175.54 3cm1 s GLY 13 N -0.01 2.72 0.14 4.51 0.00 -1.26 -1.12 107.32 112.30 3cm1 s GLY 13 Ca 0.01 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 3cm1 s GLY 13 CO -0.00 1.77 0.05 1.08 0.00 0.00 0.00 173.10 176.01 3cm1 s LEU 14 N 0.16 1.78 -0.02 0.66 1.02 0.31 -4.55 118.68 118.03 3cm1 s LEU 14 Ca 0.52 -1.22 0.04 0.00 0.02 0.00 0.00 54.13 53.49 3cm1 s LEU 14 Cb -0.29 0.24 -0.01 0.00 0.02 0.00 0.00 46.19 46.16 3cm1 s LEU 14 CO 0.33 -0.71 -0.13 -1.10 0.02 0.00 0.00 176.35 174.75 3cm1 s GLN 15 N -4.04 1.14 -0.43 1.70 -0.21 -0.42 -1.18 119.66 116.22 3cm1 s GLN 15 Ca 0.25 -0.46 -0.17 0.00 0.02 0.00 0.00 55.36 55.00 3cm1 s GLN 15 Cb 0.07 -1.08 0.03 0.00 1.00 0.00 0.00 33.01 33.03 3cm1 s GLN 15 CO 0.03 0.25 0.45 -0.48 -2.12 0.00 0.00 175.29 173.42 3cm1 s LEU 16 N -0.17 4.95 -0.33 2.90 0.05 -0.41 -0.89 118.68 124.77 3cm1 s LEU 16 Ca 0.02 -0.76 -0.21 0.00 0.05 0.00 0.00 54.13 53.23 3cm1 s LEU 16 Cb -0.07 -2.37 -0.00 0.00 -2.05 0.00 0.00 46.19 41.70 3cm1 s LEU 16 CO -0.00 -0.62 0.66 -0.63 -0.55 0.00 0.00 176.35 175.22 3cm1 s ILE 17 N 2.13 4.88 0.01 1.48 1.01 -0.05 -2.81 121.20 127.86 3cm1 s ILE 17 Ca 0.11 0.78 0.04 0.00 0.00 0.00 0.00 60.65 61.59 3cm1 s ILE 17 Cb -0.18 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 3cm1 s ILE 17 CO 0.13 -0.26 -0.14 -2.84 0.00 0.00 0.00 174.94 171.84 3cm1 s PRO 23 N 2.74 1.01 -0.20 2.79 0.02 -1.26 -4.45 135.00 135.66 3cm1 s PRO 23 Ca 0.26 -0.59 0.00 0.00 0.02 0.00 0.00 61.00 60.70 3cm1 s PRO 23 Cb -0.14 -1.00 0.02 0.00 0.02 0.00 0.00 34.50 33.40 3cm1 s PRO 23 CO 0.14 0.26 -0.16 0.08 -0.33 0.00 0.00 177.00 176.99 3cm1 s VAL 24 N -0.53 2.33 0.39 3.83 1.01 -1.12 -5.12 120.40 121.19 3cm1 s VAL 24 Ca 0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3cm1 s VAL 24 Cb -0.06 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3cm1 s VAL 24 CO 0.00 0.46 1.03 -2.16 0.00 0.00 0.00 175.10 174.44 3cm1 s PRO 25 N 1.31 4.22 0.01 2.72 0.04 -1.26 -1.29 135.00 140.75 3cm1 s PRO 25 Ca 0.04 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 3cm1 s PRO 25 Cb -0.14 -2.56 0.06 0.00 0.04 0.00 0.00 34.50 31.90 3cm1 s PRO 25 CO -0.10 -0.08 0.59 -0.51 0.04 0.00 0.00 177.00 176.93 3cm1 s LEU 26 N -2.58 -0.35 -0.15 -3.56 1.43 -0.33 -4.93 118.68 108.21 3cm1 s LEU 26 Ca 0.57 0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 54.01 3cm1 s LEU 26 Cb -0.21 2.32 -0.03 0.00 0.03 0.00 0.00 46.19 48.30 3cm1 s LEU 26 CO 0.27 -0.69 0.02 0.54 0.23 0.00 0.00 176.35 176.72 3cm1 s VAL 27 N -1.98 4.43 -0.06 -1.59 0.11 -1.26 -0.53 120.40 119.51 3cm1 s VAL 27 Ca -0.08 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 3cm1 s VAL 27 Cb -0.01 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 3cm1 s VAL 27 CO 0.02 0.50 -0.09 0.00 -3.33 0.00 0.00 175.10 172.20 3cm1 s ALA 28 N 0.11 2.89 -0.35 1.54 0.00 -0.28 -4.32 121.76 121.35 3cm1 s ALA 28 Ca 0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3cm1 s ALA 28 Cb -0.13 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.85 3cm1 s ALA 28 CO 0.02 0.57 0.21 0.50 0.00 0.00 0.00 175.76 177.05 3cm1 s ARG 29 N -0.78 3.15 -0.09 0.00 3.52 -0.80 -0.90 118.95 123.04 3cm1 s ARG 29 Ca 0.12 -0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.73 3cm1 s ARG 29 Cb -0.11 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 3cm1 s ARG 29 CO 0.01 -0.56 0.30 -0.51 -0.81 0.00 0.00 175.30 173.73 3cm1 s LEU 30 N 1.62 4.37 0.01 -0.88 1.43 0.14 -0.96 118.68 124.41 3cm1 s LEU 30 Ca 0.04 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 3cm1 s LEU 30 Cb -0.18 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3cm1 s LEU 30 CO 0.08 0.26 0.21 1.51 0.23 0.00 0.00 176.35 178.64 3cm1 s ASP 31 N -0.50 -0.04 -0.02 2.29 1.47 0.81 -0.94 116.67 119.73 3cm1 s ASP 31 Ca 0.19 -0.15 0.02 0.00 1.18 0.00 0.00 52.55 53.78 3cm1 s ASP 31 Cb -0.14 0.26 0.01 0.00 -0.34 0.00 0.00 42.92 42.70 3cm1 s ASP 31 CO 0.07 -0.44 -0.06 -0.47 0.68 0.00 0.00 175.17 174.95 3cm1 s TYR 32 N -1.65 0.69 -0.04 2.11 5.04 0.10 -1.17 117.35 122.43 3cm1 s TYR 32 Ca -0.12 -0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.37 3cm1 s TYR 32 Cb -0.05 -0.52 0.01 0.00 0.35 0.00 0.00 41.96 41.75 3cm1 s TYR 32 CO 0.01 -0.08 -0.07 0.45 -1.34 0.00 0.00 175.55 174.52 3cm1 s SER 33 N 0.28 1.08 0.59 4.32 0.15 -1.26 -0.23 113.70 118.62 3cm1 s SER 33 Ca -0.03 -0.16 0.29 0.00 0.70 0.00 0.00 55.95 56.74 3cm1 s SER 33 Cb -0.08 -0.44 1.75 0.00 -1.71 0.00 0.00 66.02 65.54 3cm1 s SER 33 CO -0.00 -0.00 2.20 -0.37 1.20 0.00 0.00 173.24 176.26 3cm1 h VAL 34 N 5.85 0.52 0.00 4.45 -1.51 -1.65 0.62 116.25 124.53 3cm1 h VAL 34 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 3cm1 h VAL 34 Cb 1.16 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3cm1 h VAL 34 CO 0.48 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.92 3cm1 n ASP 35 N -3.86 0.00 -3.20 4.19 5.68 -1.26 -3.17 116.55 114.93 3cm1 n ASP 35 Ca -0.01 0.41 -0.23 0.00 -0.50 0.00 0.00 54.79 54.46 3cm1 n ASP 35 Cb 0.17 -0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 39.63 3cm1 n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3cm1 n ASP 36 N -1.46 1.06 0.18 -1.12 2.03 0.21 -4.96 116.55 112.49 3cm1 n ASP 36 Ca 0.05 -2.93 0.13 0.00 0.52 0.00 0.00 54.79 52.56 3cm1 n ASP 36 Cb 0.19 -0.63 0.61 0.00 -0.72 0.00 0.00 41.12 40.56 3cm1 n ASP 36 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3cm1 h PRO 37 N 3.69 0.00 0.00 -0.67 0.13 -1.57 -1.85 132.00 131.72 3cm1 h PRO 37 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3cm1 h PRO 37 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3cm1 h PRO 37 CO 0.54 0.00 -0.68 0.66 -0.23 0.00 0.00 178.00 178.29 3cm1 n TYR 38 N -2.41 0.01 -4.08 1.56 4.01 -1.26 -4.94 117.16 110.05 3cm1 n TYR 38 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 3cm1 n TYR 38 Cb 0.15 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 3cm1 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cm1 s ALA 39 N -3.01 3.56 -0.05 -0.72 0.00 -0.70 0.23 121.76 121.08 3cm1 s ALA 39 Ca 0.10 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3cm1 s ALA 39 Cb 0.17 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3cm1 s ALA 39 CO 0.76 0.56 -0.11 0.42 0.00 0.00 0.00 175.76 177.40 3cm1 s ILE 40 N -1.66 0.97 -0.13 0.00 -1.09 0.13 -4.64 121.20 114.77 3cm1 s ILE 40 Ca 0.30 -0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 58.27 3cm1 s ILE 40 Cb -0.11 -0.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 3cm1 s ILE 40 CO 0.23 0.31 0.05 -0.13 -1.23 0.00 0.00 174.94 174.16 3cm1 s ARG 41 N 0.52 3.44 -0.03 2.79 0.52 -0.31 -1.68 118.95 124.19 3cm1 s ARG 41 Ca -0.10 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.83 3cm1 s ARG 41 Cb -0.13 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 3cm1 s ARG 41 CO 0.02 0.55 -0.21 0.00 0.02 0.00 0.00 175.30 175.69 3cm1 s ALA 42 N -0.43 1.75 -0.20 2.13 0.00 -0.13 -0.14 121.76 124.75 3cm1 s ALA 42 Ca 0.09 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3cm1 s ALA 42 Cb -0.12 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.55 3cm1 s ALA 42 CO 0.02 0.38 -0.10 0.00 0.00 0.00 0.00 175.76 176.07 3cm1 s ALA 43 N -0.29 1.97 0.55 0.00 0.00 -0.13 -0.59 121.76 123.27 3cm1 s ALA 43 Ca 0.03 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3cm1 s ALA 43 Cb -0.10 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.76 3cm1 s ALA 43 CO 0.01 -0.85 0.78 -0.06 0.00 0.00 0.00 175.76 175.63 3cm1 s PHE 44 N 1.41 2.90 0.09 0.00 0.40 -0.30 -1.91 117.98 120.57 3cm1 s PHE 44 Ca -0.02 0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 3cm1 s PHE 44 Cb -0.16 -2.73 -0.01 0.00 0.51 0.00 0.00 43.02 40.62 3cm1 s PHE 44 CO -0.08 -0.85 0.14 -1.01 0.70 0.00 0.00 175.22 174.12 3cm1 s HIS 45 N -2.77 0.32 0.00 0.36 3.76 -1.26 -2.66 115.29 113.04 3cm1 s HIS 45 Ca 0.56 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 3cm1 s HIS 45 Cb -0.10 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.42 3cm1 s HIS 45 CO 0.39 -0.53 0.00 1.33 -0.85 0.00 0.00 174.74 175.08 3cm1 n VAL 46 N -0.04 0.00 -4.35 -0.90 0.24 -1.26 -4.86 118.33 107.17 3cm1 n VAL 46 Ca -0.13 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.92 3cm1 n VAL 46 Cb 0.62 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.87 3cm1 n VAL 46 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3cm1 s PRO 51 N -1.00 1.30 -0.02 7.34 0.01 -1.26 -5.26 135.00 136.11 3cm1 s PRO 51 Ca 0.00 -1.34 0.01 0.00 0.01 0.00 0.00 61.00 59.68 3cm1 s PRO 51 Cb 0.00 -1.55 0.01 0.00 0.01 0.00 0.00 34.50 32.97 3cm1 s PRO 51 CO 0.00 0.34 -0.02 0.54 0.01 0.00 0.00 177.00 177.87 3cm1 s VAL 52 N -1.51 0.28 -0.19 3.83 0.11 -1.09 -4.98 120.40 116.85 3cm1 s VAL 52 Ca 0.13 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 3cm1 s VAL 52 Cb -0.08 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 3cm1 s VAL 52 CO 0.06 0.12 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.26 3cm1 s GLU 53 N 0.47 3.68 -0.06 1.54 2.12 -1.26 -1.15 118.70 124.05 3cm1 s GLU 53 Ca -0.05 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 3cm1 s GLU 53 Cb -0.08 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 3cm1 s GLU 53 CO -0.01 0.11 0.01 -1.58 -0.54 0.00 0.00 175.26 173.26 3cm1 s TRP 54 N 0.74 3.16 -0.10 5.30 0.52 0.24 -4.97 118.94 123.82 3cm1 s TRP 54 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 56.10 56.29 3cm1 s TRP 54 Cb -0.14 -1.75 0.02 0.00 -1.15 0.00 0.00 33.47 30.45 3cm1 s TRP 54 CO 0.02 0.48 -0.08 -1.50 0.02 0.00 0.00 176.95 175.89 3cm1 s ILE 55 N -0.97 1.02 0.12 2.03 1.10 -1.26 -0.95 121.20 122.30 3cm1 s ILE 55 Ca 0.16 -0.32 -0.02 0.00 -0.51 0.00 0.00 60.65 59.96 3cm1 s ILE 55 Cb -0.11 -1.02 -0.04 0.00 0.15 0.00 0.00 42.46 41.44 3cm1 s ILE 55 CO 0.05 0.36 0.08 0.72 -2.11 0.00 0.00 174.94 174.04 3cm1 s PHE 56 N 1.46 0.75 0.12 3.50 -0.12 -0.68 -4.98 117.98 118.04 3cm1 s PHE 56 Ca 0.00 -1.14 -0.32 0.00 -0.05 0.00 0.00 56.93 55.42 3cm1 s PHE 56 Cb -0.13 -0.41 -0.12 0.00 -0.63 0.00 0.00 43.02 41.73 3cm1 s PHE 56 CO -0.05 -0.53 1.77 0.00 -0.05 0.00 0.00 175.22 176.36 3cm1 n ALA 57 N -0.09 1.98 -0.25 1.99 0.00 -1.26 -0.70 120.51 122.18 3cm1 n ALA 57 Ca -0.07 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.75 3cm1 n ALA 57 Cb 0.63 -2.52 0.15 0.00 0.00 0.00 0.00 19.45 17.71 3cm1 n ALA 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3cm1 h ARG 58 N 7.82 0.58 0.00 0.00 2.43 -0.49 -2.11 114.38 122.61 3cm1 h ARG 58 Ca -0.46 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3cm1 h ARG 58 Cb 1.23 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3cm1 h ARG 58 CO 0.94 0.39 -0.03 1.05 -1.51 0.00 0.00 179.97 180.80 3cm1 h GLU 59 N 0.60 0.00 -0.23 0.20 -0.00 -1.91 -2.00 114.58 111.24 3cm1 h GLU 59 Ca 0.37 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.59 3cm1 h GLU 59 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 3cm1 h GLU 59 CO -0.29 0.03 -0.43 1.25 -0.00 0.00 0.00 179.01 179.57 3cm1 h LEU 60 N 0.00 0.59 -0.05 3.06 5.85 -1.76 -1.50 115.31 121.50 3cm1 h LEU 60 Ca -0.00 -0.27 -0.26 0.00 0.84 0.00 0.00 57.88 58.20 3cm1 h LEU 60 Cb 0.09 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 40.97 3cm1 h LEU 60 CO 0.00 0.94 -1.00 0.25 -0.34 0.00 0.00 178.44 178.29 3cm1 h LEU 61 N 0.45 0.84 -0.74 2.25 5.85 -1.41 -0.90 115.31 121.65 3cm1 h LEU 61 Ca 0.03 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 3cm1 h LEU 61 Cb 0.93 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3cm1 h LEU 61 CO 0.08 1.46 0.44 0.74 -0.34 0.00 0.00 178.44 180.82 3cm1 h THR 62 N 0.37 1.21 -0.12 1.05 2.02 -1.33 -2.57 112.91 113.54 3cm1 h THR 62 Ca -0.11 -0.48 -0.19 0.00 0.77 0.00 0.00 66.41 66.40 3cm1 h THR 62 Cb 1.65 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3cm1 h THR 62 CO 0.19 0.22 -0.66 0.58 0.37 0.00 0.00 175.52 176.22 3cm1 h VAL 63 N 1.01 1.32 -0.03 3.16 2.07 -1.31 -3.29 116.25 119.18 3cm1 h VAL 63 Ca 0.26 -1.92 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3cm1 h VAL 63 Cb -0.02 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3cm1 h VAL 63 CO -0.05 0.59 0.03 1.23 0.02 0.00 0.00 177.57 179.40 3cm1 h GLY 64 N 0.33 0.00 1.97 2.17 0.00 -1.01 0.17 103.07 106.70 3cm1 h GLY 64 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3cm1 h GLY 64 CO 0.14 0.00 -0.49 -2.22 0.00 0.00 0.00 176.54 173.97 3cm1 h ILE 65 N 0.00 1.35 0.08 2.60 2.04 -1.53 -2.88 117.51 119.17 3cm1 h ILE 65 Ca 0.01 -1.69 -0.37 0.00 1.00 0.00 0.00 64.86 63.82 3cm1 h ILE 65 Cb 0.08 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3cm1 h ILE 65 CO -0.00 0.48 -2.13 -0.38 0.00 0.00 0.00 178.15 176.13 3cm1 n ILE 66 N -3.96 1.67 -3.49 -0.67 2.08 -0.24 -4.61 119.36 110.16 3cm1 n ILE 66 Ca -0.02 -0.65 -0.12 0.00 0.56 0.00 0.00 62.75 62.52 3cm1 n ILE 66 Cb 0.51 -1.54 -0.03 0.00 -0.75 0.00 0.00 39.64 37.83 3cm1 n ILE 66 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3cm1 s ARG 67 N -2.55 1.19 0.15 0.38 1.70 0.42 -4.85 118.95 115.39 3cm1 s ARG 67 Ca -0.24 -0.46 -0.33 0.00 -0.47 0.00 0.00 55.73 54.22 3cm1 s ARG 67 Cb 0.07 0.55 -0.13 0.00 -0.57 0.00 0.00 34.95 34.87 3cm1 s ARG 67 CO 0.73 -0.50 1.63 -1.91 -1.08 0.00 0.00 175.30 174.17 3cm1 n GLU 68 N -0.20 2.27 -3.91 3.89 0.00 -1.26 -3.76 120.64 117.68 3cm1 n GLU 68 Ca -0.17 0.82 -0.11 0.00 0.00 0.00 0.00 57.16 57.70 3cm1 n GLU 68 Cb 0.64 -2.61 0.00 0.00 0.00 0.00 0.00 31.44 29.47 3cm1 n GLU 68 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3cm1 s THR 69 N 1.19 0.00 -0.13 6.31 -1.32 -0.28 -4.98 115.64 116.43 3cm1 s THR 69 Ca 0.79 -1.21 -0.34 0.00 -1.21 0.00 0.00 61.69 59.72 3cm1 s THR 69 Cb -0.65 -2.83 0.14 0.00 -1.51 0.00 0.00 72.50 67.66 3cm1 s THR 69 CO 0.38 0.00 1.34 -0.83 -2.21 0.00 0.00 174.62 173.30 3cm1 s GLY 70 N -3.14 -0.37 -0.20 6.08 0.00 -1.26 -1.50 107.32 106.93 3cm1 s GLY 70 Ca 0.21 1.22 -0.04 0.00 0.00 0.00 0.00 44.72 46.11 3cm1 s GLY 70 CO 0.15 0.33 0.32 1.85 0.00 0.00 0.00 173.10 175.75 3cm1 s GLU 71 N -2.22 0.25 7.15 2.90 2.12 -0.85 -5.01 118.70 123.06 3cm1 s GLU 71 Ca 0.13 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.04 3cm1 s GLU 71 Cb 0.03 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.00 3cm1 s GLU 71 CO -0.05 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 3cm1 n GLY 72 N 5.35 2.98 0.11 -1.50 0.00 -1.26 -2.17 105.19 108.71 3cm1 n GLY 72 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3cm1 n GLY 72 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3cm1 h ASP 73 N 0.00 0.00 -3.85 1.61 3.04 -1.95 -3.46 116.42 111.80 3cm1 h ASP 73 Ca 0.00 0.00 -0.50 0.00 -3.24 0.00 0.00 57.03 53.29 3cm1 h ASP 73 Cb 0.00 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.31 3cm1 h ASP 73 CO 0.00 0.32 0.45 -0.69 -2.04 0.00 0.00 179.24 177.28 3cm1 s VAL 74 N -3.11 3.58 -0.05 4.15 1.01 -0.92 -1.55 120.40 123.51 3cm1 s VAL 74 Ca -0.01 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 3cm1 s VAL 74 Cb 0.09 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.61 3cm1 s VAL 74 CO 0.79 0.26 0.09 -0.13 0.00 0.00 0.00 175.10 176.11 3cm1 s ARG 75 N -1.75 -0.00 -0.04 2.72 1.81 -1.10 -2.00 118.95 118.60 3cm1 s ARG 75 Ca 0.48 0.34 0.05 0.00 -1.72 0.00 0.00 55.73 54.88 3cm1 s ARG 75 Cb -0.29 -0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 33.91 3cm1 s ARG 75 CO 0.37 -0.23 -0.18 0.42 -0.68 0.00 0.00 175.30 175.00 3cm1 s ILE 76 N 1.54 1.45 -0.02 1.52 1.01 -0.56 -0.40 121.20 125.73 3cm1 s ILE 76 Ca -0.04 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 3cm1 s ILE 76 Cb -0.12 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.16 3cm1 s ILE 76 CO -0.04 0.42 0.49 -1.66 0.00 0.00 0.00 174.94 174.15 3cm1 s TRP 77 N -0.08 -0.41 0.67 3.97 -2.14 -0.16 -1.13 118.94 119.65 3cm1 s TRP 77 Ca -0.01 0.65 -0.08 0.00 2.66 0.00 0.00 56.10 59.32 3cm1 s TRP 77 Cb -0.10 0.26 0.03 0.00 -3.10 0.00 0.00 33.47 30.56 3cm1 s TRP 77 CO 0.01 -0.52 1.00 -1.25 -2.66 0.00 0.00 176.95 173.53 3cm1 s PRO 78 N -1.44 2.61 0.22 3.25 0.04 -1.09 -0.29 135.00 138.30 3cm1 s PRO 78 Ca -0.11 0.02 -0.21 0.00 0.04 0.00 0.00 61.00 60.74 3cm1 s PRO 78 Cb -0.02 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3cm1 s PRO 78 CO 0.06 -1.00 0.64 -1.12 0.04 0.00 0.00 177.00 175.62 3cm1 s SER 79 N -4.40 -0.39 0.12 6.66 0.01 -1.26 -4.85 113.70 109.59 3cm1 s SER 79 Ca 0.57 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.57 3cm1 s SER 79 Cb -0.11 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 3cm1 s SER 79 CO 0.47 -1.15 -0.11 0.00 0.41 0.00 0.00 173.24 172.86 3cm1 s GLN 80 N -3.84 2.06 -0.28 12.44 0.00 -1.26 -4.62 119.66 124.15 3cm1 s GLN 80 Ca 0.07 -1.09 0.15 0.00 -0.00 0.00 0.00 55.36 54.48 3cm1 s GLN 80 Cb -0.03 -2.25 0.48 0.00 0.00 0.00 0.00 33.01 31.21 3cm1 s GLN 80 CO -0.03 0.49 1.14 -0.25 0.00 0.00 0.00 175.29 176.64 3cm1 n ASP 81 N 0.58 3.24 0.00 12.60 9.92 -1.26 -5.00 116.55 136.63 3cm1 n ASP 81 Ca -0.13 -2.91 0.00 0.00 -0.53 0.00 0.00 54.79 51.21 3cm1 n ASP 81 Cb 0.53 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 3cm1 n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cm1 n GLY 82 N -0.62 2.69 0.00 0.44 0.00 -1.26 -4.94 105.19 101.50 3cm1 n GLY 82 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3cm1 n GLY 82 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cm1 n GLU 84 N 0.00 0.00 -2.53 1.61 -0.00 -1.26 -5.30 120.64 113.16 3cm1 n GLU 84 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.16 56.90 3cm1 n GLU 84 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.46 3cm1 n GLU 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3cm1 s ARG 85 N 0.00 3.06 -0.28 3.44 1.81 -1.26 -4.54 118.95 121.18 3cm1 s ARG 85 Ca 0.00 -0.04 -0.22 0.00 -1.72 0.00 0.00 55.73 53.75 3cm1 s ARG 85 Cb 0.00 -2.34 0.09 0.00 -0.45 0.00 0.00 34.95 32.25 3cm1 s ARG 85 CO 0.00 -0.54 0.77 0.08 -0.68 0.00 0.00 175.30 174.93 3cm1 s VAL 87 N -2.88 0.00 -0.13 3.52 1.01 0.47 -1.93 120.40 120.46 3cm1 s VAL 87 Ca 0.52 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.52 3cm1 s VAL 87 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3cm1 s VAL 87 CO 0.44 0.00 -0.19 0.20 0.00 0.00 0.00 175.10 175.55 3cm1 s ASN 88 N 0.79 3.38 -0.05 3.32 0.01 0.60 -1.79 114.94 121.20 3cm1 s ASN 88 Ca -0.03 -0.52 0.06 0.00 -0.71 0.00 0.00 52.86 51.66 3cm1 s ASN 88 Cb -0.05 -1.49 -0.02 0.00 0.41 0.00 0.00 41.25 40.10 3cm1 s ASN 88 CO -0.07 0.11 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.77 3cm1 s ILE 89 N 0.63 2.29 -0.34 0.60 1.01 -0.73 -0.99 121.20 123.67 3cm1 s ILE 89 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3cm1 s ILE 89 Cb -0.16 -1.84 0.15 0.00 0.01 0.00 0.00 42.46 40.61 3cm1 s ILE 89 CO 0.03 0.57 0.33 0.00 0.00 0.00 0.00 174.94 175.87 3cm1 s ALA 90 N -0.30 -0.31 -0.17 9.38 0.00 0.46 0.33 121.76 131.15 3cm1 s ALA 90 Ca 0.01 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 3cm1 s ALA 90 Cb -0.13 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3cm1 s ALA 90 CO 0.02 -1.97 0.90 -0.51 0.00 0.00 0.00 175.76 174.20 3cm1 s LEU 91 N 1.75 4.17 -1.38 0.00 1.43 -1.26 -2.70 118.68 120.70 3cm1 s LEU 91 Ca 0.14 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 3cm1 s LEU 91 Cb -0.15 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.82 3cm1 s LEU 91 CO -0.14 -0.45 2.06 -1.20 0.23 0.00 0.00 176.35 176.84 3cm1 n SER 92 N 5.38 4.44 -3.40 2.29 7.64 -0.60 -4.98 113.62 124.39 3cm1 n SER 92 Ca 0.06 -2.96 -0.16 0.00 1.01 0.00 0.00 58.87 56.82 3cm1 n SER 92 Cb 0.48 -1.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.01 3cm1 n SER 92 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3cm1 s ARG 99 N 1.94 0.31 0.06 1.43 3.00 -1.26 -4.89 118.95 119.54 3cm1 s ARG 99 Ca 0.44 -0.00 0.01 0.00 -1.00 0.00 0.00 55.73 55.17 3cm1 s ARG 99 Cb 0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 34.95 34.34 3cm1 s ARG 99 CO -0.05 -0.94 0.13 -0.06 0.00 0.00 0.00 175.30 174.38 3cm1 s PHE 100 N 2.39 3.33 -0.07 5.12 0.40 0.15 -0.87 117.98 128.43 3cm1 s PHE 100 Ca 0.09 0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.58 3cm1 s PHE 100 Cb -0.14 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.72 3cm1 s PHE 100 CO -0.28 0.56 -0.01 -1.58 0.70 0.00 0.00 175.22 174.61 3cm1 s HIS 101 N -1.40 0.74 0.06 0.36 2.46 -0.07 -1.77 115.29 115.68 3cm1 s HIS 101 Ca 0.30 -0.22 -0.08 0.00 0.47 0.00 0.00 55.06 55.53 3cm1 s HIS 101 Cb -0.12 -0.83 -0.00 0.00 -0.13 0.00 0.00 32.58 31.49 3cm1 s HIS 101 CO 0.23 -0.34 0.17 0.00 -2.47 0.00 0.00 174.74 172.33 3cm1 s ALA 102 N 1.89 -0.25 0.44 1.58 0.00 -0.74 -1.30 121.76 123.39 3cm1 s ALA 102 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 3cm1 s ALA 102 Cb -0.12 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 3cm1 s ALA 102 CO -0.05 -0.40 1.12 -0.65 0.00 0.00 0.00 175.76 175.78 3cm1 s GLN 103 N -3.03 3.87 0.08 0.00 1.11 -1.26 -0.40 119.66 120.04 3cm1 s GLN 103 Ca -0.01 1.66 -0.15 0.00 0.01 0.00 0.00 55.36 56.87 3cm1 s GLN 103 Cb 0.01 -2.42 -0.17 0.00 -1.01 0.00 0.00 33.01 29.43 3cm1 s GLN 103 CO -0.06 -0.43 1.27 0.28 0.01 0.00 0.00 175.29 176.36 3cm1 h VAL 104 N 1.93 1.31 -0.56 1.09 2.07 -1.77 -3.37 116.25 116.95 3cm1 h VAL 104 Ca -0.49 -1.92 0.10 0.00 0.82 0.00 0.00 66.70 65.21 3cm1 h VAL 104 Cb 1.24 2.06 -0.11 0.00 -1.52 0.00 0.00 31.29 32.96 3cm1 h VAL 104 CO 0.61 0.60 -0.34 0.00 0.02 0.00 0.00 177.57 178.46 3cm1 h ALA 105 N 0.52 -0.07 -0.44 1.67 0.00 -1.94 0.21 119.26 119.20 3cm1 h ALA 105 Ca -0.05 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3cm1 h ALA 105 Cb 1.32 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 3cm1 h ALA 105 CO 0.14 -0.69 0.10 -1.35 0.00 0.00 0.00 179.25 177.45 3cm1 h PRO 106 N -0.18 0.71 -0.58 0.00 0.11 -2.00 -0.90 132.00 129.16 3cm1 h PRO 106 Ca 0.22 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3cm1 h PRO 106 Cb 0.55 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3cm1 h PRO 106 CO -0.66 0.72 0.28 -0.07 -0.21 0.00 0.00 178.00 178.06 3cm1 h LEU 107 N 0.58 0.76 -0.33 2.35 3.38 -1.58 -1.38 115.31 119.09 3cm1 h LEU 107 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cm1 h LEU 107 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3cm1 h LEU 107 CO 0.00 0.68 0.21 -1.28 0.09 0.00 0.00 178.44 178.14 3cm1 h SER 108 N 0.79 0.40 -0.58 -0.43 0.87 -0.43 0.08 113.55 114.26 3cm1 h SER 108 Ca 0.20 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3cm1 h SER 108 Cb 0.11 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3cm1 h SER 108 CO -0.03 0.32 0.34 -0.08 -0.53 0.00 0.00 176.83 176.86 3cm1 h GLU 109 N 0.44 0.80 -0.29 2.24 4.57 -0.96 0.75 114.58 122.13 3cm1 h GLU 109 Ca 0.12 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3cm1 h GLU 109 Cb -0.00 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 3cm1 h GLU 109 CO -0.02 0.59 0.19 0.35 -1.18 0.00 0.00 179.01 178.93 3cm1 h PHE 110 N 0.79 0.36 -0.90 0.92 3.57 -1.00 -1.64 116.94 119.03 3cm1 h PHE 110 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3cm1 h PHE 110 Cb 0.01 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3cm1 h PHE 110 CO -0.02 0.22 0.56 -0.07 -2.23 0.00 0.00 178.31 176.77 3cm1 h LEU 111 N 0.39 1.07 -0.59 0.59 3.38 -0.52 -1.67 115.31 117.96 3cm1 h LEU 111 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cm1 h LEU 111 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3cm1 h LEU 111 CO -0.02 0.81 0.37 -0.74 0.09 0.00 0.00 178.44 178.95 3cm1 h HIS 112 N 1.24 0.76 -0.64 1.13 2.76 -0.30 -0.25 115.15 119.84 3cm1 h HIS 112 Ca 0.33 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.53 3cm1 h HIS 112 Cb -0.07 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.60 3cm1 h HIS 112 CO 0.00 0.50 0.40 0.00 -1.30 0.00 0.00 177.93 177.54 3cm1 h ARG 113 N 0.79 0.77 -0.81 5.26 2.47 -0.84 -1.15 114.38 120.87 3cm1 h ARG 113 Ca 0.21 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 3cm1 h ARG 113 Cb -0.05 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.06 3cm1 h ARG 113 CO -0.04 0.51 0.38 1.79 0.56 0.00 0.00 179.97 183.17 3cm1 h THR 114 N 0.79 1.25 0.00 2.04 1.35 -0.54 -1.69 112.91 116.11 3cm1 h THR 114 Ca 0.25 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 3cm1 h THR 114 Cb 0.00 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.63 3cm1 h THR 114 CO -0.10 0.30 -0.23 1.88 -0.25 0.00 0.00 175.52 177.12 3cm1 h TYR 115 N 1.15 0.00 -0.25 4.73 0.05 -0.46 -0.17 116.97 122.02 3cm1 h TYR 115 Ca 0.28 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.91 3cm1 h TYR 115 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3cm1 h TYR 115 CO 0.01 0.23 -0.46 0.93 -1.05 0.00 0.00 178.16 177.82 3cm1 h GLU 116 N 0.00 0.66 -0.07 4.88 5.08 -0.32 -1.65 114.58 123.16 3cm1 h GLU 116 Ca -0.00 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 3cm1 h GLU 116 Cb 0.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3cm1 h GLU 116 CO 0.03 0.98 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.74 3cm1 h LEU 117 N 0.53 0.31 -6.93 1.33 3.38 -1.05 -3.42 115.31 109.45 3cm1 h LEU 117 Ca 0.03 -0.62 -0.57 0.00 0.09 0.00 0.00 57.88 56.82 3cm1 h LEU 117 Cb 1.01 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.27 3cm1 h LEU 117 CO 0.09 0.87 -0.78 -0.69 0.09 0.00 0.00 178.44 178.03 3cm1 s VAL 118 N -3.75 0.48 0.64 1.22 1.01 -0.11 -5.11 120.40 114.77 3cm1 s VAL 118 Ca -0.15 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.34 3cm1 s VAL 118 Cb 0.03 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3cm1 s VAL 118 CO 0.75 -0.76 1.28 -2.84 0.00 0.00 0.00 175.10 173.53 3cm1 s PRO 119 N 1.61 2.61 0.14 2.72 0.02 -0.62 -4.17 135.00 137.31 3cm1 s PRO 119 Ca 0.11 2.02 -0.34 0.00 0.02 0.00 0.00 61.00 62.82 3cm1 s PRO 119 Cb -0.18 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.34 3cm1 s PRO 119 CO -0.24 -1.54 1.59 0.00 -0.33 0.00 0.00 177.00 176.48 3cm1 n ALA 120 N -1.87 1.26 -0.04 -1.55 0.00 -1.26 -1.73 120.51 115.33 3cm1 n ALA 120 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3cm1 n ALA 120 Cb 0.48 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3cm1 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cm1 n GLY 121 N 3.44 0.44 0.51 0.00 0.00 -1.26 -4.91 105.19 103.41 3cm1 n GLY 121 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3cm1 n GLY 121 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cm1 n GLN 122 N -2.00 2.56 0.23 1.61 6.02 -0.70 -4.62 117.38 120.47 3cm1 n GLN 122 Ca 0.00 -2.38 0.07 0.00 -0.01 0.00 0.00 57.00 54.68 3cm1 n GLN 122 Cb 0.00 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.36 3cm1 n GLN 122 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3cm1 h GLU 123 N 1.17 0.05 -0.92 -1.09 3.07 -1.91 -3.05 114.58 111.89 3cm1 h GLU 123 Ca 0.00 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.07 3cm1 h GLU 123 Cb 1.02 -0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.81 3cm1 h GLU 123 CO 0.08 0.07 0.46 0.77 -1.40 0.00 0.00 179.01 179.00 3cm1 h SER 124 N 0.05 0.48 -0.55 1.42 0.02 -1.97 -0.75 113.55 112.25 3cm1 h SER 124 Ca 0.01 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3cm1 h SER 124 Cb 0.06 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 3cm1 h SER 124 CO 0.00 0.09 0.28 0.44 -1.14 0.00 0.00 176.83 176.49 3cm1 h ASP 125 N 0.51 0.74 0.94 3.07 3.32 -1.91 0.79 116.42 123.88 3cm1 h ASP 125 Ca 0.56 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 57.33 3cm1 h ASP 125 Cb 1.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 3cm1 h ASP 125 CO -0.47 0.63 -0.99 1.88 -1.72 0.00 0.00 179.24 178.57 3cm1 h TYR 126 N 0.82 0.04 -0.36 4.55 0.05 -1.34 -2.30 116.97 118.43 3cm1 h TYR 126 Ca 0.20 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3cm1 h TYR 126 Cb 0.09 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 3cm1 h TYR 126 CO 0.01 0.99 0.05 0.82 -1.05 0.00 0.00 178.16 178.98 3cm1 h ILE 127 N 0.01 1.24 -0.61 -2.88 1.08 -0.69 -2.04 117.51 113.62 3cm1 h ILE 127 Ca -0.02 -0.87 0.08 0.00 -0.39 0.00 0.00 64.86 63.66 3cm1 h ILE 127 Cb 1.73 1.11 -0.07 0.00 -3.07 0.00 0.00 36.82 36.53 3cm1 h ILE 127 CO 0.13 0.29 0.27 0.44 -0.69 0.00 0.00 178.15 178.59 3cm1 h ASP 128 N 0.44 0.32 -0.54 1.72 3.32 -0.72 -0.77 116.42 120.18 3cm1 h ASP 128 Ca 0.11 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3cm1 h ASP 128 Cb 0.38 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3cm1 h ASP 128 CO 0.01 0.19 0.19 0.40 -1.72 0.00 0.00 179.24 178.31 3cm1 h ILE 129 N 0.48 1.23 -0.97 0.35 2.04 -1.28 0.11 117.51 119.46 3cm1 h ILE 129 Ca 0.30 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.47 3cm1 h ILE 129 Cb 0.32 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 3cm1 h ILE 129 CO -0.26 0.28 0.63 0.44 0.00 0.00 0.00 178.15 179.23 3cm1 h ASP 130 N 0.75 1.02 -0.51 1.72 5.19 -0.76 -0.77 116.42 123.06 3cm1 h ASP 130 Ca 0.18 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.46 3cm1 h ASP 130 Cb 0.24 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3cm1 h ASP 130 CO -0.01 0.67 -0.19 0.00 -3.12 0.00 0.00 179.24 176.60 3cm1 h ALA 131 N 1.42 0.71 -0.71 3.45 0.00 -0.53 -2.77 119.26 120.83 3cm1 h ALA 131 Ca 0.41 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3cm1 h ALA 131 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3cm1 h ALA 131 CO -0.15 0.68 0.20 0.93 0.00 0.00 0.00 179.25 180.90 3cm1 h GLU 132 N 0.89 1.11 0.04 0.00 5.08 -0.13 -1.70 114.58 119.88 3cm1 h GLU 132 Ca 0.12 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3cm1 h GLU 132 Cb 0.77 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3cm1 h GLU 132 CO 0.06 0.96 -0.02 0.82 -1.00 0.00 0.00 179.01 179.83 3cm1 h ILE 133 N 1.06 0.99 -0.63 3.13 2.04 -1.16 -3.22 117.51 119.72 3cm1 h ILE 133 Ca 0.23 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3cm1 h ILE 133 Cb 0.33 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3cm1 h ILE 133 CO -0.00 0.02 0.41 0.00 0.00 0.00 0.00 178.15 178.58 3cm1 h ALA 134 N 0.85 0.80 0.00 1.87 0.00 -1.25 -2.10 119.26 119.43 3cm1 h ALA 134 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cm1 h ALA 134 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3cm1 h ALA 134 CO 0.01 0.25 0.32 0.93 0.00 0.00 0.00 179.25 180.76 3cm1 h GLU 135 N 0.86 0.00 -3.05 0.00 5.08 -1.32 -3.24 114.58 112.91 3cm1 h GLU 135 Ca 0.23 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.97 3cm1 h GLU 135 Cb -0.08 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.77 3cm1 h GLU 135 CO -0.05 0.00 -0.71 -1.01 -1.00 0.00 0.00 179.01 176.24 3cm1 s HIS 136 N -3.42 2.37 0.00 4.33 3.76 -0.79 -5.13 115.29 116.41 3cm1 s HIS 136 Ca -0.02 -2.68 0.00 0.00 -0.15 0.00 0.00 55.06 52.21 3cm1 s HIS 136 Cb 0.04 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3cm1 s HIS 136 CO 0.13 -0.75 0.09 1.28 -0.85 0.00 0.00 174.74 174.64