#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h45 n PRO 2 N 0.00 1.12 -2.56 1.61 -0.04 -1.26 -4.94 135.00 128.93 2h45 n PRO 2 Ca 0.00 0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 63.48 2h45 n PRO 2 Cb 0.00 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.02 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2h45 s LEU 3 N -3.36 4.47 0.00 1.53 1.02 -1.26 -4.88 118.68 116.19 2h45 s LEU 3 Ca 0.79 1.99 0.00 0.00 0.02 0.00 0.00 54.13 56.93 2h45 s LEU 3 Cb -0.40 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.21 2h45 s LEU 3 CO 0.44 -0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.19 2h45 n GLY 4 N 2.31 -1.81 0.01 -3.19 0.00 -1.26 -5.01 105.19 96.23 2h45 n GLY 4 Ca 0.04 0.74 0.15 0.00 0.00 0.00 0.00 46.02 46.95 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h45 n SER 5 N 0.00 0.03 -1.47 1.61 3.41 -1.26 -4.84 113.62 111.11 2h45 n SER 5 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2h45 n SER 5 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2h45 n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h45 n HIS 6 N -1.25 0.00 -1.99 7.33 1.44 -1.26 -5.09 115.22 114.41 2h45 n HIS 6 Ca 0.15 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.44 2h45 n HIS 6 Cb 0.24 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.32 2h45 n HIS 6 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2h45 s LEU 7 N 0.00 4.35 0.05 2.39 1.43 -1.26 -4.99 118.68 120.64 2h45 s LEU 7 Ca 0.00 2.37 0.06 0.00 -1.03 0.00 0.00 54.13 55.52 2h45 s LEU 7 Cb 0.00 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 2h45 s LEU 7 CO 0.00 -0.88 -0.16 0.54 0.23 0.00 0.00 176.35 176.08 2h45 s VAL 8 N 3.02 1.28 0.00 -1.59 0.11 -1.26 -5.13 120.40 116.83 2h45 s VAL 8 Ca 0.73 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2h45 s VAL 8 Cb -0.37 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 2h45 s VAL 8 CO 0.31 0.02 0.00 0.00 -3.33 0.00 0.00 175.10 172.10 2h45 n ALA 9 N 1.76 0.00 0.74 1.54 0.00 -1.26 -4.95 120.51 118.35 2h45 n ALA 9 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.34 2h45 n ALA 9 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 2h45 n ALA 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2h45 n THR 10 N 0.00 0.00 -2.67 0.00 -1.04 -1.26 -5.04 114.28 104.27 2h45 n THR 10 Ca 0.00 -0.32 -0.24 0.00 -2.04 0.00 0.00 64.05 61.45 2h45 n THR 10 Cb 0.00 1.19 0.02 0.00 -1.82 0.00 0.00 70.33 69.72 2h45 n THR 10 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2h45 n SER 11 N -0.17 -3.79 -4.77 8.00 2.88 -1.26 -4.85 113.62 109.67 2h45 n SER 11 Ca 0.07 -0.07 -0.38 0.00 -1.33 0.00 0.00 58.87 57.15 2h45 n SER 11 Cb 0.35 -1.08 -0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2h45 n SER 11 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2h45 s GLU 12 N -1.56 3.81 0.00 -1.46 2.02 -1.26 -4.90 118.70 115.35 2h45 s GLU 12 Ca 0.24 1.96 0.28 0.00 0.02 0.00 0.00 54.97 57.47 2h45 s GLU 12 Cb -0.02 -2.55 1.29 0.00 0.10 0.00 0.00 34.13 32.94 2h45 s GLU 12 CO 0.53 -0.57 1.93 -1.13 0.02 0.00 0.00 175.26 176.04 2h45 n SER 13 N -0.25 0.00 -4.53 -0.19 3.41 -1.26 -4.72 113.62 106.09 2h45 n SER 13 Ca 0.06 0.22 -0.34 0.00 -0.26 0.00 0.00 58.87 58.55 2h45 n SER 13 Cb 0.46 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.89 2h45 n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2h45 s VAL 14 N -2.81 3.89 0.00 -3.33 1.01 -1.26 -4.97 120.40 112.94 2h45 s VAL 14 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2h45 s VAL 14 Cb 0.18 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2h45 s VAL 14 CO 0.47 0.52 0.00 0.41 0.00 0.00 0.00 175.10 176.50 2h45 n THR 15 N 3.21 0.00 0.00 3.92 -1.04 -1.26 -4.87 114.28 114.24 2h45 n THR 15 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2h45 n THR 15 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2h45 n THR 15 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2h45 n GLU 16 N 0.00 0.00 0.00 -2.82 -0.58 -1.26 -4.76 120.64 111.21 2h45 n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2h45 n GLU 16 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2h45 n ILE 17 N 0.00 0.00 0.00 -3.67 5.41 -1.25 -2.04 119.36 117.81 2h45 n ILE 17 Ca 0.00 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2h45 n ILE 17 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 2h45 n ILE 17 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2h45 n THR 18 N -1.20 0.00 0.76 1.39 -2.24 -1.26 0.53 114.28 112.26 2h45 n THR 18 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2h45 n THR 18 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 n ALA 19 N 4.51 2.46 -3.48 6.98 0.00 -1.26 -4.68 120.51 125.03 2h45 n ALA 19 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2h45 n ALA 19 Cb 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.48 2h45 n ALA 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h45 n SER 20 N 0.65 -5.67 -4.75 0.00 3.41 2.08 -1.85 113.62 107.49 2h45 n SER 20 Ca 0.00 -0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 57.69 2h45 n SER 20 Cb 0.43 -4.53 -0.03 0.00 -0.26 0.00 0.00 64.21 59.82 2h45 n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2h45 s SER 21 N -3.07 6.79 0.10 4.04 1.04 0.34 -4.62 113.70 118.32 2h45 s SER 21 Ca 0.51 2.55 -0.06 0.00 0.48 0.00 0.00 55.95 59.44 2h45 s SER 21 Cb -0.24 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.21 2h45 s SER 21 CO 0.63 -0.58 0.34 -0.36 0.98 0.00 0.00 173.24 174.25 2h45 s PHE 22 N -0.22 3.52 -0.33 5.02 0.08 -0.94 -3.92 117.98 121.19 2h45 s PHE 22 Ca 0.56 0.57 0.04 0.00 0.12 0.00 0.00 56.93 58.21 2h45 s PHE 22 Cb -0.39 -2.00 0.09 0.00 -0.57 0.00 0.00 43.02 40.15 2h45 s PHE 22 CO 0.43 0.50 0.03 0.08 -0.10 0.00 0.00 175.22 176.16 2h45 s VAL 23 N -1.53 2.20 -0.08 -0.44 1.01 -1.26 -0.16 120.40 120.14 2h45 s VAL 23 Ca 0.36 -2.21 0.01 0.00 0.00 0.00 0.00 61.98 60.14 2h45 s VAL 23 Cb -0.13 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2h45 s VAL 23 CO 0.22 -0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 174.01 2h45 s VAL 24 N 0.96 3.51 0.14 2.92 1.01 -0.93 -4.87 120.40 123.14 2h45 s VAL 24 Ca 0.08 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2h45 s VAL 24 Cb -0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2h45 s VAL 24 CO -0.08 0.58 -0.15 -0.94 0.00 0.00 0.00 175.10 174.50 2h45 s SER 25 N -0.51 2.23 0.00 3.32 1.04 -1.26 -1.53 113.70 116.98 2h45 s SER 25 Ca 0.07 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2h45 s SER 25 Cb -0.12 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2h45 s SER 25 CO 0.02 -0.13 0.00 -2.67 0.98 0.00 0.00 173.24 171.43 2h45 n TRP 26 N 0.31 -0.17 -4.97 5.02 2.14 -0.60 -5.00 117.44 114.17 2h45 n TRP 26 Ca -0.14 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.11 2h45 n TRP 26 Cb 0.58 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.92 2h45 n TRP 26 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2h45 s VAL 27 N -2.01 2.55 -0.91 -1.67 1.01 -1.26 -4.82 120.40 113.29 2h45 s VAL 27 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 2h45 s VAL 27 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2h45 s VAL 27 CO 0.00 0.54 1.95 -0.94 0.00 0.00 0.00 175.10 176.65 2h45 s SER 28 N 0.38 5.13 -0.56 3.32 1.04 -1.26 -4.91 113.70 116.85 2h45 s SER 28 Ca -0.14 -0.70 -0.22 0.00 0.48 0.00 0.00 55.95 55.37 2h45 s SER 28 Cb -0.17 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.45 2h45 s SER 28 CO 0.07 -2.76 0.82 0.00 0.98 0.00 0.00 173.24 172.35 2h45 s ALA 29 N 10.14 3.25 0.00 5.32 0.00 -1.26 -4.64 121.76 134.57 2h45 s ALA 29 Ca 0.70 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2h45 s ALA 29 Cb -0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2h45 s ALA 29 CO -0.00 -2.32 0.00 0.43 0.00 0.00 0.00 175.76 173.87 2h45 n SER 30 N 6.98 0.00 0.21 0.00 7.64 -1.26 -4.90 113.62 122.29 2h45 n SER 30 Ca -0.03 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.99 2h45 n SER 30 Cb 0.46 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.38 2h45 n SER 30 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2h45 h ASP 31 N 0.00 0.00 0.00 6.43 3.58 -1.99 -1.08 116.42 123.36 2h45 h ASP 31 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2h45 h ASP 31 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2h45 h ASP 31 CO 0.00 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 176.71 2h45 n THR 32 N -2.44 0.00 -2.33 2.25 -2.24 -1.26 -4.77 114.28 103.49 2h45 n THR 32 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 2h45 n THR 32 Cb 0.08 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 2h45 n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2h45 s VAL 33 N -2.00 3.56 -0.54 2.28 0.11 -0.41 -2.74 120.40 120.66 2h45 s VAL 33 Ca 0.21 1.24 0.23 0.00 -2.93 0.00 0.00 61.98 60.72 2h45 s VAL 33 Cb 0.09 -3.79 -0.11 0.00 -1.53 0.00 0.00 36.38 31.04 2h45 s VAL 33 CO 0.16 0.16 1.01 -1.20 -3.33 0.00 0.00 175.10 171.90 2h45 n SER 34 N 3.02 0.60 0.00 3.54 7.64 1.20 -4.62 113.62 125.00 2h45 n SER 34 Ca 0.07 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2h45 n SER 34 Cb 0.44 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 2h45 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h45 n GLY 35 N 1.34 -1.45 3.29 0.23 0.00 -0.99 -3.24 105.19 104.37 2h45 n GLY 35 Ca 0.01 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 2h45 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h45 s PHE 36 N -2.17 1.66 -0.08 1.61 0.08 0.64 0.76 117.98 120.48 2h45 s PHE 36 Ca 0.00 -0.48 -0.00 0.00 0.12 0.00 0.00 56.93 56.56 2h45 s PHE 36 Cb 0.00 -0.86 0.02 0.00 -0.57 0.00 0.00 43.02 41.62 2h45 s PHE 36 CO 0.00 0.24 -0.05 0.50 -0.10 0.00 0.00 175.22 175.81 2h45 s ARG 37 N -2.54 1.09 -0.14 0.44 3.52 0.21 0.54 118.95 122.07 2h45 s ARG 37 Ca 0.11 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.55 2h45 s ARG 37 Cb -0.06 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 32.09 2h45 s ARG 37 CO 0.05 -0.21 -0.01 0.08 -0.81 0.00 0.00 175.30 174.40 2h45 s VAL 38 N 1.53 4.17 -0.06 7.11 1.01 0.53 -0.64 120.40 134.04 2h45 s VAL 38 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2h45 s VAL 38 Cb -0.13 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2h45 s VAL 38 CO -0.04 0.51 -0.15 -0.70 0.00 0.00 0.00 175.10 174.72 2h45 s GLU 39 N 0.06 1.86 -0.06 2.72 2.12 -0.87 -0.99 118.70 123.53 2h45 s GLU 39 Ca 0.02 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.79 2h45 s GLU 39 Cb -0.13 -1.53 0.02 0.00 0.26 0.00 0.00 34.13 32.75 2h45 s GLU 39 CO 0.02 0.10 0.16 1.52 -0.54 0.00 0.00 175.26 176.52 2h45 s TYR 40 N 0.47 -0.18 0.19 5.30 1.13 -1.10 -1.98 117.35 121.17 2h45 s TYR 40 Ca -0.12 0.45 -0.05 0.00 -1.41 0.00 0.00 57.07 55.93 2h45 s TYR 40 Cb -0.15 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 2h45 s TYR 40 CO 0.04 -0.11 0.23 -1.83 -2.51 0.00 0.00 175.55 171.37 2h45 s GLU 41 N 0.35 1.21 -0.02 -3.49 -1.05 -1.16 -2.49 118.70 112.04 2h45 s GLU 41 Ca -0.02 -1.40 -0.30 0.00 -0.15 0.00 0.00 54.97 53.10 2h45 s GLU 41 Cb -0.03 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2h45 s GLU 41 CO -0.01 -0.43 1.21 -0.51 0.95 0.00 0.00 175.26 176.47 2h45 s LEU 42 N -3.06 4.30 0.48 1.83 1.43 -1.26 -0.99 118.68 121.42 2h45 s LEU 42 Ca 0.27 1.88 0.25 0.00 -1.03 0.00 0.00 54.13 55.51 2h45 s LEU 42 Cb 0.05 -3.56 1.21 0.00 0.03 0.00 0.00 46.19 43.91 2h45 s LEU 42 CO 0.06 -0.56 1.97 0.77 0.23 0.00 0.00 176.35 178.82 2h45 h SER 43 N 7.33 0.00 0.00 2.29 4.64 -0.67 -0.68 113.55 126.46 2h45 h SER 43 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2h45 h SER 43 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2h45 h SER 43 CO 0.86 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 176.39 2h45 n GLU 44 N -3.60 0.00 0.17 4.77 1.02 -1.26 -4.58 120.64 117.16 2h45 n GLU 44 Ca -0.01 0.13 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 2h45 n GLU 44 Cb 0.32 -0.52 0.50 0.00 -0.02 0.00 0.00 31.44 31.72 2h45 n GLU 44 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2h45 h GLU 45 N 0.00 0.15 0.00 3.49 5.08 -1.92 -3.46 114.58 117.93 2h45 h GLU 45 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2h45 h GLU 45 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2h45 h GLU 45 CO 0.00 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 2h45 n GLY 46 N -1.22 1.62 1.66 -3.84 0.00 -0.26 -4.96 105.19 98.18 2h45 n GLY 46 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2h45 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h45 n ASP 47 N 1.62 0.00 -4.74 1.61 2.03 -1.26 -4.16 116.55 111.65 2h45 n ASP 47 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2h45 n ASP 47 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2h45 s GLU 48 N 0.00 3.26 0.36 -0.67 -1.05 -1.26 -4.92 118.70 114.42 2h45 s GLU 48 Ca 0.00 -0.31 -0.27 0.00 -0.15 0.00 0.00 54.97 54.24 2h45 s GLU 48 Cb 0.00 -2.97 -0.09 0.00 -0.44 0.00 0.00 34.13 30.63 2h45 s GLU 48 CO 0.00 0.67 1.14 -1.25 0.95 0.00 0.00 175.26 176.77 2h45 s PRO 49 N -0.75 4.28 0.04 -4.83 0.04 -1.26 -4.79 135.00 127.73 2h45 s PRO 49 Ca 0.12 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.03 2h45 s PRO 49 Cb -0.12 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 2h45 s PRO 49 CO 0.03 -0.11 -0.10 -0.65 0.04 0.00 0.00 177.00 176.20 2h45 s GLN 50 N -2.02 2.32 -0.03 4.56 -0.21 -1.04 -4.97 119.66 118.26 2h45 s GLN 50 Ca 0.52 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 55.08 2h45 s GLN 50 Cb -0.30 -2.37 -0.01 0.00 1.00 0.00 0.00 33.01 31.33 2h45 s GLN 50 CO 0.39 0.56 -0.19 0.71 -2.12 0.00 0.00 175.29 174.64 2h45 s TYR 51 N -1.05 1.83 -0.06 0.91 2.02 -1.26 -2.72 117.35 117.02 2h45 s TYR 51 Ca 0.18 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2h45 s TYR 51 Cb -0.11 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 2h45 s TYR 51 CO 0.09 -0.12 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.33 2h45 s LEU 52 N -0.18 1.62 -0.15 -1.29 1.43 -0.17 -4.97 118.68 114.97 2h45 s LEU 52 Ca 0.00 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2h45 s LEU 52 Cb -0.10 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2h45 s LEU 52 CO 0.01 0.03 0.04 -1.81 0.23 0.00 0.00 176.35 174.85 2h45 s ASP 53 N 0.65 5.51 0.12 2.29 1.11 -1.26 -0.35 116.67 124.75 2h45 s ASP 53 Ca -0.13 0.10 0.08 0.00 0.18 0.00 0.00 52.55 52.77 2h45 s ASP 53 Cb -0.15 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 2h45 s ASP 53 CO 0.03 0.23 -0.18 -0.76 1.18 0.00 0.00 175.17 175.67 2h45 s LEU 54 N 0.00 2.36 0.72 1.23 1.43 0.19 -4.94 118.68 119.66 2h45 s LEU 54 Ca 0.05 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.24 2h45 s LEU 54 Cb -0.12 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.34 2h45 s LEU 54 CO 0.01 -0.02 1.18 -2.16 0.23 0.00 0.00 176.35 175.59 2h45 s PRO 55 N -2.32 2.29 0.29 1.29 0.04 -1.26 0.23 135.00 135.56 2h45 s PRO 55 Ca 0.09 1.66 0.17 0.00 0.04 0.00 0.00 61.00 62.96 2h45 s PRO 55 Cb -0.08 -1.86 0.94 0.00 0.04 0.00 0.00 34.50 33.54 2h45 s PRO 55 CO 0.05 -1.70 1.50 -1.13 0.04 0.00 0.00 177.00 175.76 2h45 n SER 56 N -2.67 0.45 -0.19 6.66 3.41 -1.20 0.47 113.62 120.55 2h45 n SER 56 Ca 0.13 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 2h45 n SER 56 Cb 0.51 -0.71 0.26 0.00 -0.26 0.00 0.00 64.21 64.00 2h45 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h45 n THR 57 N -2.12 0.00 -3.13 6.66 -2.24 -1.26 -4.88 114.28 107.31 2h45 n THR 57 Ca -0.01 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 2h45 n THR 57 Cb 0.11 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 2h45 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 s ALA 58 N -2.67 3.50 -0.02 6.98 0.00 0.18 -4.96 121.76 124.77 2h45 s ALA 58 Ca 0.19 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.36 2h45 s ALA 58 Cb 0.18 -2.81 0.05 0.00 0.00 0.00 0.00 23.12 20.55 2h45 s ALA 58 CO 0.60 0.30 0.87 0.25 0.00 0.00 0.00 175.76 177.77 2h45 n THR 59 N 1.91 0.63 -3.56 0.00 -2.24 -1.26 -4.88 114.28 104.88 2h45 n THR 59 Ca -0.07 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.86 2h45 n THR 59 Cb 0.50 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 2h45 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2h45 s SER 60 N -1.02 -0.55 -0.07 3.42 1.04 -1.26 -1.56 113.70 113.70 2h45 s SER 60 Ca 0.06 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.03 2h45 s SER 60 Cb 0.05 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2h45 s SER 60 CO 0.01 -0.46 0.31 0.54 0.98 0.00 0.00 173.24 174.62 2h45 s VAL 61 N -0.96 0.03 -0.21 5.02 0.11 -0.58 -5.01 120.40 118.79 2h45 s VAL 61 Ca -0.06 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 2h45 s VAL 61 Cb -0.01 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2h45 s VAL 61 CO 0.05 -0.13 0.10 0.21 -3.33 0.00 0.00 175.10 172.00 2h45 s ASN 62 N -0.56 5.71 -0.38 3.54 3.04 -1.26 -2.18 114.94 122.85 2h45 s ASN 62 Ca -0.07 0.04 -0.16 0.00 0.04 0.00 0.00 52.86 52.72 2h45 s ASN 62 Cb -0.04 -2.01 0.00 0.00 -1.54 0.00 0.00 41.25 37.67 2h45 s ASN 62 CO 0.02 0.10 0.36 -0.63 -3.04 0.00 0.00 177.10 173.91 2h45 s ILE 63 N 0.82 5.18 0.66 -5.21 1.01 0.78 -4.93 121.20 119.51 2h45 s ILE 63 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2h45 s ILE 63 Cb -0.13 -3.90 0.10 0.00 0.01 0.00 0.00 42.46 38.53 2h45 s ILE 63 CO 0.02 -0.23 0.91 -2.16 0.00 0.00 0.00 174.94 173.48 2h45 s PRO 64 N 1.95 1.99 -1.43 2.79 0.04 -1.26 -2.21 135.00 136.87 2h45 s PRO 64 Ca 0.10 -1.09 -0.08 0.00 0.04 0.00 0.00 61.00 59.97 2h45 s PRO 64 Cb -0.17 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 31.96 2h45 s PRO 64 CO 0.12 -1.18 1.00 -0.25 0.04 0.00 0.00 177.00 176.73 2h45 n ASP 65 N -2.63 -6.32 -4.83 6.66 8.00 -1.26 -4.98 116.55 111.19 2h45 n ASP 65 Ca 0.13 -0.46 -0.35 0.00 0.71 0.00 0.00 54.79 54.82 2h45 n ASP 65 Cb 0.60 -5.01 -0.06 0.00 -0.02 0.00 0.00 41.12 36.63 2h45 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2h45 s LEU 66 N -7.12 4.32 -0.41 0.64 1.43 -0.77 -5.03 118.68 111.73 2h45 s LEU 66 Ca 0.50 1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 54.61 2h45 s LEU 66 Cb -0.22 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.53 2h45 s LEU 66 CO 0.61 0.04 0.84 -0.76 0.23 0.00 0.00 176.35 177.31 2h45 s LEU 67 N -2.05 4.12 0.24 1.79 1.43 -1.26 -4.41 118.68 118.52 2h45 s LEU 67 Ca 0.42 0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 53.40 2h45 s LEU 67 Cb -0.15 -3.08 -0.13 0.00 0.03 0.00 0.00 46.19 42.86 2h45 s LEU 67 CO 0.20 -0.88 1.44 -2.65 0.23 0.00 0.00 176.35 174.70 2h45 n PRO 68 N 6.73 2.11 -0.82 1.29 -0.02 -1.26 -1.66 135.00 141.37 2h45 n PRO 68 Ca 0.04 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2h45 n PRO 68 Cb 0.48 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2h45 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h45 n GLY 69 N 2.29 0.55 3.38 -1.23 0.00 -1.26 -5.01 105.19 103.92 2h45 n GLY 69 Ca 0.12 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2h45 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h45 s ARG 70 N -0.75 1.40 -0.20 1.61 1.81 -0.66 -4.93 118.95 117.22 2h45 s ARG 70 Ca 0.00 -1.40 -0.08 0.00 -1.72 0.00 0.00 55.73 52.53 2h45 s ARG 70 Cb 0.00 -1.76 -0.04 0.00 -0.45 0.00 0.00 34.95 32.70 2h45 s ARG 70 CO 0.00 0.40 0.07 0.21 -0.68 0.00 0.00 175.30 175.30 2h45 s LYS 71 N -2.35 3.92 0.22 3.54 2.20 -1.26 -2.01 119.74 124.00 2h45 s LYS 71 Ca 0.16 -0.36 0.10 0.00 -0.36 0.00 0.00 55.97 55.50 2h45 s LYS 71 Cb -0.09 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2h45 s LYS 71 CO 0.07 0.17 -0.10 0.71 -0.36 0.00 0.00 175.35 175.85 2h45 s TYR 72 N 0.66 2.57 -0.12 4.03 1.51 -0.11 0.06 117.35 125.95 2h45 s TYR 72 Ca 0.04 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2h45 s TYR 72 Cb -0.13 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2h45 s TYR 72 CO 0.02 0.58 -0.07 0.42 -1.11 0.00 0.00 175.55 175.39 2h45 s ILE 73 N -2.02 3.66 -0.09 2.71 1.01 -0.16 -1.28 121.20 125.03 2h45 s ILE 73 Ca 0.27 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2h45 s ILE 73 Cb -0.07 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 2h45 s ILE 73 CO 0.16 0.53 -0.24 -0.69 0.00 0.00 0.00 174.94 174.71 2h45 s VAL 74 N 0.00 2.01 -0.07 2.92 1.01 0.13 -2.98 120.40 123.42 2h45 s VAL 74 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2h45 s VAL 74 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.54 2h45 s VAL 74 CO 0.03 0.55 -0.01 0.20 0.00 0.00 0.00 175.10 175.87 2h45 s ASN 75 N 0.28 1.50 -0.20 3.32 0.01 -0.84 -0.42 114.94 118.59 2h45 s ASN 75 Ca -0.16 -0.10 -0.08 0.00 -0.71 0.00 0.00 52.86 51.80 2h45 s ASN 75 Cb -0.17 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 2h45 s ASN 75 CO 0.08 -0.17 0.08 -0.69 -1.51 0.00 0.00 177.10 174.90 2h45 s VAL 76 N 1.77 4.86 -0.05 1.60 1.01 0.14 -2.05 120.40 127.68 2h45 s VAL 76 Ca 0.02 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.06 2h45 s VAL 76 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2h45 s VAL 76 CO -0.05 0.42 -0.23 -0.31 0.00 0.00 0.00 175.10 174.94 2h45 s TYR 77 N 0.66 2.21 -0.14 5.22 2.02 0.18 -0.88 117.35 126.63 2h45 s TYR 77 Ca 0.04 -0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 56.01 2h45 s TYR 77 Cb -0.13 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 39.93 2h45 s TYR 77 CO 0.01 -0.17 0.28 1.14 -1.57 0.00 0.00 175.55 175.24 2h45 s GLN 78 N -0.20 4.10 -0.21 -0.62 -2.07 -0.47 0.66 119.66 120.85 2h45 s GLN 78 Ca -0.01 0.08 -0.13 0.00 -1.82 0.00 0.00 55.36 53.48 2h45 s GLN 78 Cb -0.12 -3.37 -0.04 0.00 -1.09 0.00 0.00 33.01 28.39 2h45 s GLN 78 CO 0.02 0.38 0.27 0.42 -1.32 0.00 0.00 175.29 175.06 2h45 s ILE 79 N 0.05 5.29 0.68 3.63 1.01 0.23 -2.43 121.20 129.66 2h45 s ILE 79 Ca 0.17 0.45 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 2h45 s ILE 79 Cb -0.13 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.78 2h45 s ILE 79 CO 0.05 0.31 0.99 -0.94 0.00 0.00 0.00 174.94 175.35 2h45 s SER 80 N 0.95 5.02 0.55 3.58 1.04 -0.43 0.38 113.70 124.78 2h45 s SER 80 Ca 0.13 0.52 0.37 0.00 0.48 0.00 0.00 55.95 57.45 2h45 s SER 80 Cb -0.14 -1.26 1.93 0.00 0.10 0.00 0.00 66.02 66.65 2h45 s SER 80 CO 0.06 -1.46 2.12 -0.33 0.98 0.00 0.00 173.24 174.60 2h45 h GLU 81 N -0.49 0.00 -0.02 4.02 4.39 -1.85 0.11 114.58 120.74 2h45 h GLU 81 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2h45 h GLU 81 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2h45 h GLU 81 CO 0.60 0.00 -0.05 -0.40 -1.16 0.00 0.00 179.01 178.01 2h45 n ASP 82 N -2.83 1.84 0.00 1.42 5.68 -1.26 -4.93 116.55 116.47 2h45 n ASP 82 Ca -0.02 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 2h45 n ASP 82 Cb 0.10 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2h45 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h45 n GLY 83 N 1.25 0.65 3.80 6.12 0.00 0.40 -5.05 105.19 112.35 2h45 n GLY 83 Ca 0.17 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2h45 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h45 s GLU 84 N -0.33 4.39 -0.08 1.61 0.41 -1.26 -4.77 118.70 118.68 2h45 s GLU 84 Ca 0.00 1.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.66 2h45 s GLU 84 Cb 0.00 -2.75 -0.03 0.00 -1.78 0.00 0.00 34.13 29.57 2h45 s GLU 84 CO 0.00 0.28 -0.06 -0.65 -0.49 0.00 0.00 175.26 174.35 2h45 s GLN 85 N -2.19 2.85 -0.04 1.61 -0.21 -1.26 -1.31 119.66 119.11 2h45 s GLN 85 Ca 0.49 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 55.36 2h45 s GLN 85 Cb -0.16 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.22 2h45 s GLN 85 CO 0.21 0.64 -0.05 0.45 -2.12 0.00 0.00 175.29 174.41 2h45 s SER 86 N -0.72 0.99 -0.11 5.90 0.15 -1.02 -4.93 113.70 113.96 2h45 s SER 86 Ca 0.11 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.32 2h45 s SER 86 Cb -0.11 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.70 2h45 s SER 86 CO 0.02 -0.04 1.33 -0.22 1.20 0.00 0.00 173.24 175.53 2h45 s LEU 87 N 0.81 4.24 -0.04 3.45 2.96 -1.26 -1.36 118.68 127.48 2h45 s LEU 87 Ca -0.11 1.85 0.11 0.00 -0.22 0.00 0.00 54.13 55.76 2h45 s LEU 87 Cb -0.14 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 2h45 s LEU 87 CO 0.01 -0.75 0.20 2.30 -1.32 0.00 0.00 176.35 176.79 2h45 n ILE 88 N 5.15 0.18 -3.66 6.68 -5.35 -0.06 -4.98 119.36 117.32 2h45 n ILE 88 Ca 0.14 -0.31 -0.07 0.00 -0.27 0.00 0.00 62.75 62.24 2h45 n ILE 88 Cb 0.45 -0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.27 2h45 n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2h45 s LEU 89 N -4.04 -0.77 -0.08 7.28 2.96 -1.20 -4.89 118.68 117.93 2h45 s LEU 89 Ca -0.04 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 2h45 s LEU 89 Cb 0.06 2.07 0.03 0.00 0.50 0.00 0.00 46.19 48.85 2h45 s LEU 89 CO 0.46 -0.23 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.69 2h45 s SER 90 N 1.86 1.75 0.02 3.68 0.15 -1.26 0.24 113.70 120.14 2h45 s SER 90 Ca -0.09 -0.15 -0.23 0.00 0.70 0.00 0.00 55.95 56.18 2h45 s SER 90 Cb -0.07 -0.57 0.05 0.00 -1.71 0.00 0.00 66.02 63.72 2h45 s SER 90 CO -0.18 -0.16 0.52 0.28 1.20 0.00 0.00 173.24 174.90 2h45 s THR 91 N 1.84 0.03 0.23 6.45 -1.32 0.45 -5.00 115.64 118.32 2h45 s THR 91 Ca 0.04 -0.24 0.08 0.00 -1.21 0.00 0.00 61.69 60.37 2h45 s THR 91 Cb -0.12 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 2h45 s THR 91 CO -0.06 -0.13 0.02 -0.94 -2.21 0.00 0.00 174.62 171.30 2h45 s SER 92 N -1.76 4.74 0.12 8.08 1.04 -1.26 0.17 113.70 124.84 2h45 s SER 92 Ca -0.07 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 55.78 2h45 s SER 92 Cb -0.01 -0.97 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 2h45 s SER 92 CO 0.01 0.03 0.20 -1.10 0.98 0.00 0.00 173.24 173.36 2h45 s GLN 93 N -3.41 0.98 -0.26 4.02 -0.21 -0.41 -4.96 119.66 115.41 2h45 s GLN 93 Ca 0.30 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.53 2h45 s GLN 93 Cb -0.08 0.34 0.08 0.00 1.00 0.00 0.00 33.01 34.35 2h45 s GLN 93 CO 0.20 -0.32 0.05 0.99 -2.12 0.00 0.00 175.29 174.09 2h45 s THR 94 N -3.94 0.86 -1.13 -0.19 2.01 -1.26 -0.93 115.64 111.06 2h45 s THR 94 Ca 0.13 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2h45 s THR 94 Cb 0.05 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2h45 s THR 94 CO -0.04 -0.42 0.28 0.35 -0.69 0.00 0.00 174.62 174.10