#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k50 s LYS 2 N 0.00 1.72 -0.94 3.17 1.02 -1.26 -5.06 119.74 118.39 2k50 s LYS 2 Ca 0.00 -2.50 -0.21 0.00 0.02 0.00 0.00 55.97 53.28 2k50 s LYS 2 Cb 0.00 -2.78 0.09 0.00 -0.52 0.00 0.00 37.83 34.62 2k50 s LYS 2 CO 0.00 -1.20 1.26 -1.25 -0.92 0.00 0.00 175.35 173.25 2k50 s PRO 3 N -0.27 3.53 -1.09 -1.68 0.04 -1.26 -4.96 135.00 129.31 2k50 s PRO 3 Ca 0.20 -1.33 -0.23 0.00 0.04 0.00 0.00 61.00 59.69 2k50 s PRO 3 Cb -0.18 -5.01 -0.07 0.00 0.04 0.00 0.00 34.50 29.28 2k50 s PRO 3 CO -0.06 -1.99 1.93 -1.83 0.04 0.00 0.00 177.00 175.10 2k50 s GLU 4 N 3.96 2.56 -0.43 4.56 1.03 -1.26 -4.92 118.70 124.20 2k50 s GLU 4 Ca 0.38 -0.89 -0.29 0.00 0.03 0.00 0.00 54.97 54.20 2k50 s GLU 4 Cb -0.04 -5.19 0.01 0.00 -0.80 0.00 0.00 34.13 28.11 2k50 s GLU 4 CO -0.07 -3.71 1.44 -1.58 -1.33 0.00 0.00 175.26 170.01 2k50 s HIS 5 N 10.46 2.34 0.44 4.83 2.46 -1.26 -4.96 115.29 129.60 2k50 s HIS 5 Ca 0.68 0.64 0.01 0.00 0.47 0.00 0.00 55.06 56.87 2k50 s HIS 5 Cb -0.03 -4.31 0.01 0.00 -0.13 0.00 0.00 32.58 28.12 2k50 s HIS 5 CO 0.08 -2.04 0.07 0.54 -2.47 0.00 0.00 174.74 170.92 2k50 n ARG 6 N 8.20 0.91 -2.92 2.88 1.74 -1.26 -5.07 116.66 121.14 2k50 n ARG 6 Ca 0.16 -3.14 -0.30 0.00 -0.77 0.00 0.00 57.85 53.81 2k50 n ARG 6 Cb 0.48 0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 32.63 2k50 n ARG 6 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2k50 n MET 7 N -1.20 3.64 -2.18 5.56 2.81 -1.26 -4.78 117.12 119.72 2k50 n MET 7 Ca -0.15 -4.81 -0.43 0.00 -1.81 0.00 0.00 57.70 50.50 2k50 n MET 7 Cb 0.55 -2.29 -0.02 0.00 -0.71 0.00 0.00 33.22 30.75 2k50 n MET 7 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k50 s ASP 8 N -2.98 6.12 1.11 7.83 1.01 -1.26 -5.00 116.67 123.50 2k50 s ASP 8 Ca 0.46 1.07 -0.17 0.00 0.71 0.00 0.00 52.55 54.62 2k50 s ASP 8 Cb 0.25 -2.53 0.24 0.00 1.01 0.00 0.00 42.92 41.89 2k50 s ASP 8 CO -0.13 -1.56 1.14 0.42 0.21 0.00 0.00 175.17 175.25 2k50 s THR 9 N 6.12 1.76 0.64 -1.27 -4.23 -1.26 -4.68 115.64 112.73 2k50 s THR 9 Ca 0.70 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.58 2k50 s THR 9 Cb -0.18 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.47 2k50 s THR 9 CO 0.33 0.00 2.22 0.40 -0.54 0.00 0.00 174.62 177.03 2k50 h ILE 10 N -2.24 0.16 -0.06 2.99 2.04 -1.88 0.21 117.51 118.73 2k50 h ILE 10 Ca -0.47 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 2k50 h ILE 10 Cb 1.30 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2k50 h ILE 10 CO 0.42 0.00 -0.60 -1.28 0.00 0.00 0.00 178.15 176.69 2k50 h SER 11 N 0.00 0.24 -0.36 1.72 0.87 -1.91 -3.31 113.55 110.81 2k50 h SER 11 Ca 0.02 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2k50 h SER 11 Cb 0.22 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2k50 h SER 11 CO -0.00 0.78 0.00 0.29 -0.53 0.00 0.00 176.83 177.37 2k50 n LYS 12 N -3.87 2.97 -1.89 2.24 4.76 0.66 -4.93 118.16 118.11 2k50 n LYS 12 Ca -0.02 -2.39 -0.22 0.00 -2.87 0.00 0.00 58.31 52.80 2k50 n LYS 12 Cb 0.61 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 2k50 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k50 s LEU 13 N -1.65 3.03 0.22 -0.35 1.43 -0.70 -4.79 118.68 115.86 2k50 s LEU 13 Ca 0.32 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.58 2k50 s LEU 13 Cb 0.21 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 2k50 s LEU 13 CO 0.15 -3.21 0.88 -0.70 0.23 0.00 0.00 176.35 173.70 2k50 s GLU 14 N 7.59 4.73 0.17 1.70 2.12 -1.26 -4.93 118.70 128.81 2k50 s GLU 14 Ca 0.77 1.36 -0.34 0.00 0.36 0.00 0.00 54.97 57.12 2k50 s GLU 14 Cb -0.08 -3.22 -0.14 0.00 0.26 0.00 0.00 34.13 30.95 2k50 s GLU 14 CO 0.04 0.51 1.48 -0.85 -0.54 0.00 0.00 175.26 175.90 2k50 n GLU 15 N 1.41 1.91 0.00 4.30 0.28 -1.26 -1.82 120.64 125.47 2k50 n GLU 15 Ca -0.03 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 2k50 n GLU 15 Cb 0.48 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 30.95 2k50 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k50 n GLY 16 N 2.93 2.82 3.81 -1.84 0.00 0.66 -5.01 105.19 108.55 2k50 n GLY 16 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2k50 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k50 s ALA 17 N -2.42 2.85 -0.28 4.61 0.00 -0.75 -4.75 121.76 121.02 2k50 s ALA 17 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2k50 s ALA 17 Cb 0.00 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.95 2k50 s ALA 17 CO 0.00 -0.47 -0.06 -2.00 0.00 0.00 0.00 175.76 173.24 2k50 s GLU 18 N -3.63 2.29 0.02 0.00 2.12 -1.26 -1.74 118.70 116.51 2k50 s GLU 18 Ca 0.65 -1.34 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 2k50 s GLU 18 Cb -0.15 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.24 2k50 s GLU 18 CO 0.27 -0.61 0.34 -0.08 -0.54 0.00 0.00 175.26 174.65 2k50 s THR 19 N 1.16 0.06 0.32 -1.70 -1.32 -1.05 -4.78 115.64 108.34 2k50 s THR 19 Ca -0.07 -0.53 -0.28 0.00 -1.21 0.00 0.00 61.69 59.60 2k50 s THR 19 Cb -0.20 -0.82 -0.10 0.00 -1.51 0.00 0.00 72.50 69.87 2k50 s THR 19 CO -0.03 -0.29 1.16 -2.16 -2.21 0.00 0.00 174.62 171.09 2k50 s PRO 20 N -2.01 4.44 0.00 7.08 0.04 -1.26 -3.49 135.00 139.79 2k50 s PRO 20 Ca -0.09 1.90 0.07 0.00 0.04 0.00 0.00 61.00 62.93 2k50 s PRO 20 Cb -0.02 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 2k50 s PRO 20 CO 0.00 -0.01 -0.22 0.14 0.04 0.00 0.00 177.00 176.95 2k50 s VAL 21 N -1.23 1.78 0.01 -0.36 -7.23 0.24 -4.69 120.40 108.92 2k50 s VAL 21 Ca 0.49 -1.05 0.08 0.00 -1.81 0.00 0.00 61.98 59.69 2k50 s VAL 21 Cb -0.33 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2k50 s VAL 21 CO 0.43 0.42 -0.25 -0.89 -0.31 0.00 0.00 175.10 174.50 2k50 s THR 22 N -0.61 1.99 -0.11 5.32 2.01 -1.26 0.29 115.64 123.27 2k50 s THR 22 Ca 0.09 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.59 2k50 s THR 22 Cb -0.09 -1.67 0.12 0.00 0.01 0.00 0.00 72.50 70.87 2k50 s THR 22 CO -0.00 0.45 1.02 -0.83 -0.69 0.00 0.00 174.62 174.57 2k50 s GLY 23 N -0.87 -0.34 -0.30 4.40 0.00 -0.24 -4.58 107.32 105.39 2k50 s GLY 23 Ca 0.10 1.53 -0.16 0.00 0.00 0.00 0.00 44.72 46.18 2k50 s GLY 23 CO 0.00 0.62 0.44 0.50 0.00 0.00 0.00 173.10 174.66 2k50 s ARG 24 N -2.28 3.85 0.10 2.90 0.52 -0.41 -1.29 118.95 122.34 2k50 s ARG 24 Ca 0.04 -0.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.91 2k50 s ARG 24 Cb -0.01 -3.72 -0.09 0.00 0.52 0.00 0.00 34.95 31.65 2k50 s ARG 24 CO -0.05 -0.43 1.73 0.08 0.02 0.00 0.00 175.30 176.65 2k50 s VAL 25 N 2.20 2.76 -0.09 3.52 1.01 -0.07 -0.59 120.40 129.14 2k50 s VAL 25 Ca 0.17 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 2k50 s VAL 25 Cb -0.16 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2k50 s VAL 25 CO 0.11 0.00 -0.18 0.80 0.00 0.00 0.00 175.10 175.84 2k50 n MET 26 N 5.49 0.28 -4.74 2.72 1.56 -0.24 -2.96 117.12 119.22 2k50 n MET 26 Ca 0.17 0.12 -0.26 0.00 -0.27 0.00 0.00 57.70 57.46 2k50 n MET 26 Cb 0.39 -0.97 -0.16 0.00 2.15 0.00 0.00 33.22 34.63 2k50 n MET 26 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2k50 s LYS 27 N -2.35 1.79 -0.21 2.12 -0.14 -1.16 -4.74 119.74 115.05 2k50 s LYS 27 Ca -0.17 -0.54 0.01 0.00 -1.36 0.00 0.00 55.97 53.92 2k50 s LYS 27 Cb 0.05 -1.50 0.03 0.00 -1.68 0.00 0.00 37.83 34.73 2k50 s LYS 27 CO 0.23 0.15 -0.16 0.42 -0.76 0.00 0.00 175.35 175.23 2k50 s ILE 28 N 0.29 2.16 -0.21 2.17 1.01 -1.26 -0.17 121.20 125.18 2k50 s ILE 28 Ca -0.09 -1.18 -0.25 0.00 0.00 0.00 0.00 60.65 59.13 2k50 s ILE 28 Cb -0.13 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 2k50 s ILE 28 CO 0.03 0.32 0.86 -0.44 0.00 0.00 0.00 174.94 175.72 2k50 s SER 29 N 1.23 6.92 0.63 3.58 0.01 0.28 -5.02 113.70 121.32 2k50 s SER 29 Ca -0.00 1.14 -0.17 0.00 1.31 0.00 0.00 55.95 58.22 2k50 s SER 29 Cb -0.16 -2.46 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2k50 s SER 29 CO -0.10 -0.50 0.63 -1.20 0.41 0.00 0.00 173.24 172.49 2k50 n SER 30 N 5.77 -0.68 -4.67 2.44 7.64 -1.26 -3.27 113.62 119.58 2k50 n SER 30 Ca 0.06 0.70 -0.43 0.00 1.01 0.00 0.00 58.87 60.21 2k50 n SER 30 Cb 0.48 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 2k50 n SER 30 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k50 n PRO 31 N -0.53 2.78 -3.38 1.43 -0.04 -1.26 -4.72 135.00 129.28 2k50 n PRO 31 Ca 0.12 1.02 -0.38 0.00 -0.04 0.00 0.00 63.50 64.21 2k50 n PRO 31 Cb 0.48 -2.94 -0.08 0.00 -0.04 0.00 0.00 33.50 30.93 2k50 n PRO 31 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k50 s ARG 32 N 3.67 4.14 -0.22 0.54 3.52 0.13 -4.86 118.95 125.88 2k50 s ARG 32 Ca 0.86 0.18 -0.19 0.00 -0.13 0.00 0.00 55.73 56.45 2k50 s ARG 32 Cb -0.48 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 2k50 s ARG 32 CO 0.41 -0.11 0.55 0.99 -0.81 0.00 0.00 175.30 176.34 2k50 s THR 33 N 1.52 5.07 0.47 4.11 2.01 -1.26 -1.30 115.64 126.26 2k50 s THR 33 Ca 0.18 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.23 2k50 s THR 33 Cb -0.15 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2k50 s THR 33 CO 0.08 0.13 0.09 0.72 -0.69 0.00 0.00 174.62 174.95 2k50 s PHE 34 N 1.93 2.11 -0.51 4.92 -0.12 0.83 -4.98 117.98 122.17 2k50 s PHE 34 Ca 0.25 -0.81 -0.19 0.00 -0.05 0.00 0.00 56.93 56.12 2k50 s PHE 34 Cb -0.16 -1.75 0.06 0.00 -0.63 0.00 0.00 43.02 40.54 2k50 s PHE 34 CO 0.09 0.18 0.63 0.99 -0.05 0.00 0.00 175.22 177.06 2k50 s THR 35 N -2.78 4.86 0.16 -4.49 2.01 -1.26 -3.72 115.64 110.43 2k50 s THR 35 Ca 0.23 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 2k50 s THR 35 Cb 0.03 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.28 2k50 s THR 35 CO 0.12 -0.81 0.22 1.07 -0.69 0.00 0.00 174.62 174.53 2k50 n THR 36 N 5.63 0.00 0.26 -0.82 5.66 -0.47 -5.03 114.28 119.51 2k50 n THR 36 Ca -0.06 -0.18 -0.10 0.00 -3.05 0.00 0.00 64.05 60.66 2k50 n THR 36 Cb 0.45 -1.82 -0.05 0.00 -1.55 0.00 0.00 70.33 67.36 2k50 n THR 36 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2k50 h ARG 37 N 0.00 -0.63 -1.89 1.09 1.12 -1.89 -3.48 114.38 108.69 2k50 h ARG 37 Ca -0.07 0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.82 2k50 h ARG 37 Cb 0.20 0.14 -0.20 0.00 -0.01 0.00 0.00 29.97 30.10 2k50 h ARG 37 CO 0.05 -0.42 0.29 0.21 -3.11 0.00 0.00 179.97 176.99 2k50 s LYS 38 N -4.43 0.94 0.00 0.20 2.20 -1.26 -5.03 119.74 112.36 2k50 s LYS 38 Ca -0.10 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2k50 s LYS 38 Cb 0.01 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 2k50 s LYS 38 CO 0.29 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 2k50 n GLY 39 N 0.85 2.05 3.91 5.54 0.00 -1.26 -4.93 105.19 111.34 2k50 n GLY 39 Ca -0.17 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 2k50 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 40 N 0.00 3.29 -0.04 1.61 0.52 -1.26 -5.04 118.95 118.03 2k50 s ARG 40 Ca 0.00 0.19 -0.13 0.00 -0.52 0.00 0.00 55.73 55.27 2k50 s ARG 40 Cb 0.00 -2.30 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 2k50 s ARG 40 CO 0.00 -0.45 0.57 1.05 0.02 0.00 0.00 175.30 176.49 2k50 h GLU 41 N -0.01 -0.45 0.00 3.54 4.11 -1.91 -3.41 114.58 116.45 2k50 h GLU 41 Ca -0.46 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2k50 h GLU 41 Cb 1.22 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2k50 h GLU 41 CO 0.61 -0.30 0.00 0.41 0.07 0.00 0.00 179.01 179.80 2k50 n GLY 42 N 0.51 2.32 3.09 1.06 0.00 -1.24 -1.37 105.19 109.56 2k50 n GLY 42 Ca -0.06 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 2k50 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k50 s LYS 43 N -3.88 0.61 0.02 1.61 1.02 -1.26 -0.12 119.74 117.74 2k50 s LYS 43 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.01 2k50 s LYS 43 Cb 0.00 -0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 2k50 s LYS 43 CO 0.00 0.00 -0.02 -0.48 -0.92 0.00 0.00 175.35 173.94 2k50 s LEU 44 N -2.17 2.18 0.06 3.17 0.05 -0.42 -0.43 118.68 121.13 2k50 s LEU 44 Ca -0.02 -0.48 0.02 0.00 0.05 0.00 0.00 54.13 53.70 2k50 s LEU 44 Cb -0.03 0.15 -0.03 0.00 -2.05 0.00 0.00 46.19 44.23 2k50 s LEU 44 CO -0.02 -0.31 -0.07 0.00 -0.55 0.00 0.00 176.35 175.40 2k50 s ALA 45 N -1.47 0.71 -0.21 1.48 0.00 0.17 0.21 121.76 122.65 2k50 s ALA 45 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2k50 s ALA 45 Cb -0.10 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.19 2k50 s ALA 45 CO -0.01 -0.14 -0.06 -0.80 0.00 0.00 0.00 175.76 174.75 2k50 s ASN 46 N -2.26 3.54 -0.25 0.00 0.01 -1.20 -0.31 114.94 114.46 2k50 s ASN 46 Ca -0.00 -1.01 -0.06 0.00 -0.71 0.00 0.00 52.86 51.07 2k50 s ASN 46 Cb -0.03 -1.12 -0.02 0.00 0.41 0.00 0.00 41.25 40.50 2k50 s ASN 46 CO -0.02 -0.21 0.04 -0.69 -1.51 0.00 0.00 177.10 174.71 2k50 s VAL 47 N 1.46 3.99 -0.53 1.60 1.01 0.29 -0.56 120.40 127.67 2k50 s VAL 47 Ca -0.04 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 2k50 s VAL 47 Cb -0.18 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.37 2k50 s VAL 47 CO -0.07 0.31 0.69 -0.63 0.00 0.00 0.00 175.10 175.40 2k50 s ILE 48 N 1.56 4.79 -0.11 2.22 -1.09 0.76 -0.64 121.20 128.69 2k50 s ILE 48 Ca 0.06 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 58.01 2k50 s ILE 48 Cb -0.15 -4.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.33 2k50 s ILE 48 CO 0.02 -0.90 0.01 0.27 -1.23 0.00 0.00 174.94 173.11 2k50 s ILE 49 N 2.86 4.38 -0.14 2.92 -4.36 -0.83 -1.07 121.20 124.96 2k50 s ILE 49 Ca 0.17 -0.21 0.02 0.00 -0.26 0.00 0.00 60.65 60.36 2k50 s ILE 49 Cb -0.19 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.67 2k50 s ILE 49 CO 0.12 0.58 -0.18 0.00 0.24 0.00 0.00 174.94 175.70 2k50 s ALA 50 N -0.61 1.97 0.39 2.27 0.00 0.24 -0.33 121.76 125.70 2k50 s ALA 50 Ca 0.10 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.20 2k50 s ALA 50 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2k50 s ALA 50 CO 0.02 -0.17 0.29 0.34 0.00 0.00 0.00 175.76 176.24 2k50 s ASP 51 N 1.10 4.91 0.58 0.00 2.15 0.53 -1.29 116.67 124.64 2k50 s ASP 51 Ca -0.02 -0.78 0.35 0.00 0.43 0.00 0.00 52.55 52.52 2k50 s ASP 51 Cb -0.14 -0.64 1.72 0.00 -0.30 0.00 0.00 42.92 43.56 2k50 s ASP 51 CO -0.05 -0.53 2.13 0.44 -0.17 0.00 0.00 175.17 176.98 2k50 h ASP 52 N 1.22 0.00 0.77 -0.34 3.32 -2.00 -0.95 116.42 118.43 2k50 h ASP 52 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2k50 h ASP 52 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2k50 h ASP 52 CO 0.61 0.05 -0.41 0.35 -1.72 0.00 0.00 179.24 178.12 2k50 n THR 53 N -3.29 0.14 0.00 0.35 -2.24 -1.26 -5.04 114.28 102.95 2k50 n THR 53 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2k50 n THR 53 Cb 0.21 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2k50 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k50 n GLY 54 N 1.44 3.01 3.56 3.38 0.00 -0.36 -3.96 105.19 112.26 2k50 n GLY 54 Ca 0.05 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 2k50 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k50 s GLU 55 N -2.12 2.02 0.04 1.61 -1.05 -1.26 -0.34 118.70 117.59 2k50 s GLU 55 Ca 0.00 -1.30 0.02 0.00 -0.15 0.00 0.00 54.97 53.54 2k50 s GLU 55 Cb 0.00 -2.13 -0.02 0.00 -0.44 0.00 0.00 34.13 31.54 2k50 s GLU 55 CO 0.00 0.43 -0.08 -1.17 0.95 0.00 0.00 175.26 175.39 2k50 s LEU 56 N -2.86 2.26 -0.51 1.83 2.96 0.55 -4.35 118.68 118.56 2k50 s LEU 56 Ca 0.25 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 2k50 s LEU 56 Cb -0.09 -0.16 0.06 0.00 0.50 0.00 0.00 46.19 46.50 2k50 s LEU 56 CO 0.15 -0.21 0.63 -0.60 -1.32 0.00 0.00 176.35 175.01 2k50 s ARG 57 N -1.60 3.13 -0.24 1.98 3.52 -0.25 -1.96 118.95 123.53 2k50 s ARG 57 Ca -0.10 -0.86 -0.21 0.00 -0.13 0.00 0.00 55.73 54.43 2k50 s ARG 57 Cb -0.10 -4.09 -0.02 0.00 -1.56 0.00 0.00 34.95 29.18 2k50 s ARG 57 CO 0.00 -1.22 0.64 0.00 -0.81 0.00 0.00 175.30 173.91 2k50 s ALA 58 N 2.67 3.61 -0.46 6.12 0.00 0.19 -0.62 121.76 133.26 2k50 s ALA 58 Ca 0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 2k50 s ALA 58 Cb -0.19 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.94 2k50 s ALA 58 CO 0.12 -0.78 0.46 0.08 0.00 0.00 0.00 175.76 175.65 2k50 s VAL 59 N 2.44 5.09 -0.52 0.00 1.01 0.21 -0.55 120.40 128.08 2k50 s VAL 59 Ca 0.27 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2k50 s VAL 59 Cb -0.16 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.16 2k50 s VAL 59 CO 0.09 -0.57 0.67 -0.36 0.00 0.00 0.00 175.10 174.93 2k50 s PHE 60 N 2.08 3.01 0.73 5.22 0.40 0.57 -2.92 117.98 127.08 2k50 s PHE 60 Ca 0.10 -0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 55.78 2k50 s PHE 60 Cb -0.20 -3.65 0.03 0.00 0.51 0.00 0.00 43.02 39.71 2k50 s PHE 60 CO 0.11 -1.10 1.08 -1.58 0.70 0.00 0.00 175.22 174.43 2k50 s TRP 61 N 2.78 3.11 0.57 0.36 0.52 -1.26 0.43 118.94 125.45 2k50 s TRP 61 Ca 0.16 1.20 0.39 0.00 0.02 0.00 0.00 56.10 57.87 2k50 s TRP 61 Cb -0.19 -3.01 1.49 0.00 -1.15 0.00 0.00 33.47 30.61 2k50 s TRP 61 CO 0.12 -1.37 1.64 0.00 0.02 0.00 0.00 176.95 177.35 2k50 h THR 62 N -0.80 0.19 0.00 2.01 1.03 -1.13 0.78 112.91 114.98 2k50 h THR 62 Ca -0.45 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.82 2k50 h THR 62 Cb 1.24 0.22 -0.02 0.00 -1.07 0.00 0.00 68.15 68.52 2k50 h THR 62 CO 0.60 0.00 -0.61 -0.33 -0.01 0.00 0.00 175.52 175.17 2k50 h GLU 63 N 0.00 0.00 -0.01 0.00 4.39 -1.91 -3.27 114.58 113.78 2k50 h GLU 63 Ca 0.64 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.34 2k50 h GLU 63 Cb 2.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.44 2k50 h GLU 63 CO -0.01 0.61 -0.47 0.09 -1.16 0.00 0.00 179.01 178.08 2k50 n ASN 64 N -3.48 1.41 -0.12 1.42 4.13 0.27 -4.30 115.26 114.58 2k50 n ASN 64 Ca 0.00 -1.12 0.14 0.00 1.68 0.00 0.00 54.58 55.28 2k50 n ASN 64 Cb 0.69 0.40 0.51 0.00 -1.54 0.00 0.00 39.78 39.84 2k50 n ASN 64 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2k50 h ILE 65 N 1.48 0.84 0.00 2.41 1.08 -1.42 0.41 117.51 122.31 2k50 h ILE 65 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2k50 h ILE 65 Cb 0.61 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2k50 h ILE 65 CO 0.00 0.07 0.04 0.07 -0.69 0.00 0.00 178.15 177.64 2k50 h LYS 66 N 0.39 0.00 0.00 2.37 2.10 -1.81 -0.64 116.57 118.98 2k50 h LYS 66 Ca 0.32 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.88 2k50 h LYS 66 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2k50 h LYS 66 CO -0.09 0.00 -0.74 -0.07 -2.00 0.00 0.00 179.45 176.55 2k50 h LEU 67 N 0.00 0.00 -1.18 7.07 3.38 -1.22 -3.36 115.31 120.00 2k50 h LEU 67 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k50 h LEU 67 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2k50 h LEU 67 CO 0.00 0.39 0.36 -0.07 0.09 0.00 0.00 178.44 179.21 2k50 h LEU 68 N 0.00 0.83 -1.51 1.67 3.38 -1.20 -2.10 115.31 116.39 2k50 h LEU 68 Ca -0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k50 h LEU 68 Cb 1.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k50 h LEU 68 CO 0.04 0.67 0.00 0.07 0.09 0.00 0.00 178.44 179.32 2k50 h LYS 69 N 0.94 0.00 0.00 1.13 2.10 -1.71 -2.60 116.57 116.42 2k50 h LYS 69 Ca 0.24 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.79 2k50 h LYS 69 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2k50 h LYS 69 CO -0.04 0.00 -0.46 0.87 -2.00 0.00 0.00 179.45 177.82 2k50 h LYS 70 N 0.00 0.00 -4.78 0.07 1.57 -1.62 -3.46 116.57 108.35 2k50 h LYS 70 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2k50 h LYS 70 Cb 0.14 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.32 2k50 h LYS 70 CO 0.00 0.46 -0.53 -0.59 -0.57 0.00 0.00 179.45 178.22 2k50 s PHE 71 N -3.40 1.53 0.30 -1.35 -0.71 -0.98 -5.04 117.98 108.34 2k50 s PHE 71 Ca 0.01 -1.56 0.03 0.00 -1.04 0.00 0.00 56.93 54.37 2k50 s PHE 71 Cb 0.10 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 41.22 2k50 s PHE 71 CO 0.71 -0.79 0.16 1.03 -1.34 0.00 0.00 175.22 175.00 2k50 s ARG 72 N -3.70 1.58 -0.48 1.99 0.52 -1.26 -4.92 118.95 112.68 2k50 s ARG 72 Ca 0.40 -1.90 -0.27 0.00 -0.52 0.00 0.00 55.73 53.44 2k50 s ARG 72 Cb 0.04 -0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.43 2k50 s ARG 72 CO 0.22 -0.46 1.86 -2.00 0.02 0.00 0.00 175.30 174.94 2k50 s GLU 73 N -3.81 2.91 0.00 3.54 2.12 -1.26 -2.31 118.70 119.89 2k50 s GLU 73 Ca 0.36 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.70 2k50 s GLU 73 Cb 0.05 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 30.13 2k50 s GLU 73 CO 0.18 -2.38 0.00 0.41 -0.54 0.00 0.00 175.26 172.93 2k50 n GLY 74 N 5.59 1.29 3.87 -1.50 0.00 -1.16 -4.99 105.19 108.29 2k50 n GLY 74 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2k50 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k50 s ASP 75 N -0.54 5.82 -0.28 1.61 1.01 -0.98 -4.62 116.67 118.70 2k50 s ASP 75 Ca 0.00 1.31 -0.14 0.00 0.71 0.00 0.00 52.55 54.42 2k50 s ASP 75 Cb 0.00 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 2k50 s ASP 75 CO 0.00 -1.12 0.33 -0.69 0.21 0.00 0.00 175.17 173.90 2k50 s VAL 76 N -3.25 5.20 0.23 -1.27 1.01 -1.26 -0.89 120.40 120.17 2k50 s VAL 76 Ca 0.57 0.44 0.11 0.00 0.00 0.00 0.00 61.98 63.09 2k50 s VAL 76 Cb -0.11 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2k50 s VAL 76 CO 0.53 0.16 -0.20 0.27 0.00 0.00 0.00 175.10 175.86 2k50 s ILE 77 N 2.00 2.22 -0.18 2.22 -4.36 -0.41 -0.55 121.20 122.14 2k50 s ILE 77 Ca 0.13 -2.21 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2k50 s ILE 77 Cb -0.16 -2.14 0.05 0.00 1.25 0.00 0.00 42.46 41.46 2k50 s ILE 77 CO 0.10 -0.35 0.02 -0.60 0.24 0.00 0.00 174.94 174.35 2k50 s ARG 78 N -3.22 0.79 -0.27 0.37 3.52 0.14 -1.08 118.95 119.20 2k50 s ARG 78 Ca 0.24 -0.40 -0.16 0.00 -0.13 0.00 0.00 55.73 55.29 2k50 s ARG 78 Cb -0.05 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2k50 s ARG 78 CO 0.11 -0.57 0.43 0.42 -0.81 0.00 0.00 175.30 174.88 2k50 s ILE 79 N 1.82 5.13 -0.10 4.11 1.01 0.15 -0.88 121.20 132.44 2k50 s ILE 79 Ca -0.00 0.64 -0.13 0.00 0.00 0.00 0.00 60.65 61.15 2k50 s ILE 79 Cb -0.16 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2k50 s ILE 79 CO -0.07 0.10 0.32 -0.75 0.00 0.00 0.00 174.94 174.54 2k50 s LYS 80 N 2.17 4.01 -0.19 2.79 2.20 -0.37 -0.59 119.74 129.77 2k50 s LYS 80 Ca 0.17 0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2k50 s LYS 80 Cb -0.16 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2k50 s LYS 80 CO 0.10 0.47 0.13 -0.25 -0.36 0.00 0.00 175.35 175.44 2k50 n ASP 81 N 2.73 -5.10 -4.08 1.43 8.00 -1.26 -3.49 116.55 114.77 2k50 n ASP 81 Ca -0.14 0.55 -0.07 0.00 0.71 0.00 0.00 54.79 55.85 2k50 n ASP 81 Cb 0.52 -3.26 -0.10 0.00 -0.02 0.00 0.00 41.12 38.27 2k50 n ASP 81 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2k50 s VAL 82 N -1.25 0.21 -0.17 2.53 -7.23 -1.23 -4.26 120.40 109.00 2k50 s VAL 82 Ca 0.05 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2k50 s VAL 82 Cb -0.01 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 2k50 s VAL 82 CO 0.40 -0.97 -0.07 0.20 -0.31 0.00 0.00 175.10 174.34 2k50 s ASN 83 N -2.86 4.30 -0.19 4.85 0.02 -0.91 -2.53 114.94 117.61 2k50 s ASN 83 Ca 0.06 -0.31 -0.28 0.00 -1.02 0.00 0.00 52.86 51.31 2k50 s ASN 83 Cb 0.07 -1.70 0.00 0.00 0.02 0.00 0.00 41.25 39.64 2k50 s ASN 83 CO -0.10 0.09 0.99 -0.63 0.02 0.00 0.00 177.10 177.47 2k50 s ILE 84 N 0.81 4.74 -0.39 0.60 -1.09 -0.71 -1.59 121.20 123.57 2k50 s ILE 84 Ca -0.03 1.95 0.23 0.00 -2.23 0.00 0.00 60.65 60.57 2k50 s ILE 84 Cb -0.15 -4.27 -0.08 0.00 -1.58 0.00 0.00 42.46 36.38 2k50 s ILE 84 CO 0.01 -0.10 0.99 0.54 -1.23 0.00 0.00 174.94 175.15 2k50 n ARG 85 N 5.86 0.46 -2.55 2.79 5.12 -0.81 -0.25 116.66 127.28 2k50 n ARG 85 Ca 0.10 0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 55.97 2k50 n ARG 85 Cb 0.47 -1.69 0.04 0.00 -1.16 0.00 0.00 32.46 30.12 2k50 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k50 n GLY 86 N 1.28 -0.43 3.68 -0.13 0.00 -1.23 -4.82 105.19 103.53 2k50 n GLY 86 Ca 0.01 0.24 -0.47 0.00 0.00 0.00 0.00 46.02 45.80 2k50 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 87 N -1.35 1.37 3.74 -0.02 0.00 -1.26 -4.86 105.19 102.81 2k50 n GLY 87 Ca -0.04 0.78 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 2k50 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k50 s PHE 88 N 2.94 3.34 0.00 1.61 -0.71 -1.26 -4.09 117.98 119.80 2k50 s PHE 88 Ca 0.87 1.33 0.00 0.00 -1.04 0.00 0.00 56.93 58.09 2k50 s PHE 88 Cb -0.67 -3.52 0.00 0.00 -1.21 0.00 0.00 43.02 37.62 2k50 s PHE 88 CO 0.46 -1.54 0.00 0.41 -1.34 0.00 0.00 175.22 173.21 2k50 n GLY 89 N 2.24 0.37 0.00 1.99 0.00 -1.26 -4.95 105.19 103.58 2k50 n GLY 89 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k50 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 90 N 0.00 2.42 3.60 -0.02 0.00 -1.26 -5.03 105.19 104.91 2k50 n GLY 90 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2k50 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 91 N 0.00 3.52 0.82 1.61 0.52 -1.26 -4.99 118.95 119.17 2k50 s ARG 91 Ca 0.00 1.16 -0.14 0.00 -0.52 0.00 0.00 55.73 56.23 2k50 s ARG 91 Cb 0.00 -4.08 0.21 0.00 0.52 0.00 0.00 34.95 31.60 2k50 s ARG 91 CO 0.00 -1.63 0.66 1.63 0.02 0.00 0.00 175.30 175.98 2k50 n LYS 92 N 8.14 -2.73 -4.05 3.54 5.02 -1.26 -4.71 118.16 122.12 2k50 n LYS 92 Ca 0.19 -1.06 -0.12 0.00 -2.02 0.00 0.00 58.31 55.29 2k50 n LYS 92 Cb 0.47 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 2k50 n LYS 92 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k50 s GLU 93 N -4.51 0.44 -0.03 1.97 -1.05 -1.26 -1.10 118.70 113.17 2k50 s GLU 93 Ca 0.44 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.65 2k50 s GLU 93 Cb -0.05 -0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.46 2k50 s GLU 93 CO 0.35 0.03 -0.05 0.00 0.95 0.00 0.00 175.26 176.54 2k50 s ALA 94 N -1.20 0.63 -0.17 -0.84 0.00 0.21 -1.93 121.76 118.47 2k50 s ALA 94 Ca -0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 2k50 s ALA 94 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2k50 s ALA 94 CO -0.00 0.02 0.08 -1.01 0.00 0.00 0.00 175.76 174.86 2k50 s HIS 95 N 0.70 3.33 0.54 0.00 3.76 -0.62 -0.62 115.29 122.38 2k50 s HIS 95 Ca -0.09 0.21 -0.04 0.00 -0.15 0.00 0.00 55.06 54.98 2k50 s HIS 95 Cb -0.12 -2.06 -0.00 0.00 1.11 0.00 0.00 32.58 31.51 2k50 s HIS 95 CO 0.00 0.29 0.82 -0.51 -0.85 0.00 0.00 174.74 174.50 2k50 s LEU 96 N 0.07 3.40 0.19 0.89 1.02 -1.15 -2.14 118.68 120.96 2k50 s LEU 96 Ca 0.07 0.63 0.09 0.00 0.02 0.00 0.00 54.13 54.94 2k50 s LEU 96 Cb -0.12 -3.49 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 2k50 s LEU 96 CO 0.00 -0.90 -0.10 -0.04 0.02 0.00 0.00 176.35 175.34 2k50 s MET 97 N -4.84 2.04 0.57 1.70 -1.94 -1.26 -4.83 119.30 110.73 2k50 s MET 97 Ca 0.51 -1.29 0.28 0.00 -1.71 0.00 0.00 55.69 53.49 2k50 s MET 97 Cb -0.10 -2.14 1.48 0.00 2.01 0.00 0.00 34.83 36.07 2k50 s MET 97 CO 0.43 0.43 1.95 -1.00 -0.01 0.00 0.00 175.02 176.82 2k50 h PRO 98 N 2.88 0.00 0.00 2.03 0.13 -1.97 0.88 132.00 135.95 2k50 h PRO 98 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k50 h PRO 98 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k50 h PRO 98 CO 0.54 0.00 -0.72 0.00 -0.23 0.00 0.00 178.00 177.59 2k50 h ARG 99 N 0.00 0.00 -7.09 0.86 3.08 -1.95 -3.47 114.38 105.81 2k50 h ARG 99 Ca 0.24 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.74 2k50 h ARG 99 Cb 1.13 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.34 2k50 h ARG 99 CO -0.00 0.00 0.55 -1.12 -1.07 0.00 0.00 179.97 178.33 2k50 s SER 100 N -4.34 4.79 0.12 7.04 0.01 0.30 -5.04 113.70 116.59 2k50 s SER 100 Ca 0.05 2.69 0.06 0.00 1.31 0.00 0.00 55.95 60.07 2k50 s SER 100 Cb 0.13 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2k50 s SER 100 CO 0.74 -1.88 -0.15 0.42 0.41 0.00 0.00 173.24 172.78 2k50 s THR 101 N -1.35 1.36 -0.10 1.44 -4.23 -1.23 -4.92 115.64 106.62 2k50 s THR 101 Ca 0.79 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 2k50 s THR 101 Cb -0.39 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 2k50 s THR 101 CO 0.43 -0.39 -0.24 0.68 -0.54 0.00 0.00 174.62 174.56 2k50 s VAL 102 N -2.05 2.08 -0.07 2.29 -7.23 -1.26 -1.23 120.40 112.92 2k50 s VAL 102 Ca 0.09 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 2k50 s VAL 102 Cb -0.05 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 2k50 s VAL 102 CO 0.03 0.56 -0.15 -1.83 -0.31 0.00 0.00 175.10 173.40 2k50 s GLU 103 N 0.29 2.72 -0.09 4.82 -1.05 -0.06 -4.94 118.70 120.40 2k50 s GLU 103 Ca -0.17 -0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 53.88 2k50 s GLU 103 Cb -0.18 -2.42 -0.04 0.00 -0.44 0.00 0.00 34.13 31.05 2k50 s GLU 103 CO 0.08 0.50 0.14 0.14 0.95 0.00 0.00 175.26 177.07 2k50 s VAL 104 N -0.42 5.37 0.22 1.83 -7.23 -1.26 0.25 120.40 119.17 2k50 s VAL 104 Ca 0.05 0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.35 2k50 s VAL 104 Cb -0.12 -3.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2k50 s VAL 104 CO 0.02 0.55 0.22 -0.76 -0.31 0.00 0.00 175.10 174.82 2k50 s LEU 105 N -1.24 3.96 0.00 1.32 1.43 0.28 -3.18 118.68 121.25 2k50 s LEU 105 Ca 0.18 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2k50 s LEU 105 Cb -0.12 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2k50 s LEU 105 CO 0.07 -0.01 0.00 -0.67 0.23 0.00 0.00 176.35 175.97 2k50 n ASP 106 N -0.96 0.00 -3.59 2.29 2.03 -1.26 -4.33 116.55 110.73 2k50 n ASP 106 Ca -0.08 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.79 2k50 n ASP 106 Cb 0.57 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.87 2k50 n ASP 106 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k50 n PRO 107 N 0.00 0.67 -1.43 -0.67 -0.04 -1.26 -4.87 135.00 127.40 2k50 n PRO 107 Ca 0.00 -1.40 -0.47 0.00 -0.04 0.00 0.00 63.50 61.59 2k50 n PRO 107 Cb 0.00 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 30.61 2k50 n PRO 107 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k50 n LEU 108 N 8.65 0.71 -3.78 1.53 -0.00 -1.26 -4.84 117.00 118.01 2k50 n LEU 108 Ca 0.48 0.29 -0.33 0.00 -0.00 0.00 0.00 56.01 56.45 2k50 n LEU 108 Cb 0.41 -0.99 -0.06 0.00 -0.00 0.00 0.00 43.42 42.79 2k50 n LEU 108 CO 1.11 -0.80 0.40 -0.62 -0.00 0.00 0.00 177.39 177.49 2k50 n GLU 109 N 8.22 3.00 -0.77 1.96 1.02 -1.19 -5.07 120.64 127.80 2k50 n GLU 109 Ca 0.59 -4.59 0.00 0.00 -0.02 0.00 0.00 57.16 53.14 2k50 n GLU 109 Cb 0.06 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03