#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 2.56 -0.31 2.12 1.02 -1.26 -5.08 119.74 118.79 2k50 s LYS 2 Ca 0.00 -1.20 -0.22 0.00 0.02 0.00 0.00 55.97 54.57 2k50 s LYS 2 Cb 0.00 -3.36 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2k50 s LYS 2 CO 0.00 -0.65 0.71 -1.25 -0.92 0.00 0.00 175.35 173.25 2k50 s PRO 3 N 1.35 3.91 0.00 -1.68 0.04 -1.26 -4.95 135.00 132.42 2k50 s PRO 3 Ca -0.03 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2k50 s PRO 3 Cb -0.20 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2k50 s PRO 3 CO 0.02 -0.65 0.57 0.39 0.04 0.00 0.00 177.00 177.37 2k50 n GLU 4 N 6.07 0.92 -2.89 4.56 1.02 -1.26 -4.78 120.64 124.28 2k50 n GLU 4 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 2k50 n GLU 4 Cb 0.48 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 2k50 n GLU 4 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k50 s HIS 5 N -1.24 2.84 0.69 -0.32 2.46 -1.26 -5.04 115.29 113.41 2k50 s HIS 5 Ca 0.00 -0.09 -0.10 0.00 0.47 0.00 0.00 55.06 55.33 2k50 s HIS 5 Cb 0.00 -3.98 0.16 0.00 -0.13 0.00 0.00 32.58 28.63 2k50 s HIS 5 CO 0.00 -1.29 0.94 0.54 -2.47 0.00 0.00 174.74 172.46 2k50 n ARG 6 N 7.24 -0.80 -3.34 2.88 3.00 -1.26 -5.10 116.66 119.27 2k50 n ARG 6 Ca 0.00 -1.57 -0.12 0.00 -0.01 0.00 0.00 57.85 56.15 2k50 n ARG 6 Cb 0.47 -0.93 -0.07 0.00 0.00 0.00 0.00 32.46 31.93 2k50 n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k50 s MET 7 N -5.02 0.43 0.00 5.56 0.23 -1.26 -4.81 119.30 114.43 2k50 s MET 7 Ca 0.54 -0.09 0.00 0.00 -1.03 0.00 0.00 55.69 55.11 2k50 s MET 7 Cb -0.02 -0.45 0.00 0.00 -1.53 0.00 0.00 34.83 32.84 2k50 s MET 7 CO 0.38 -1.06 0.00 -0.40 -2.03 0.00 0.00 175.02 171.91 2k50 n ASP 8 N 5.17 0.00 -4.44 -1.18 5.68 -1.26 -5.06 116.55 115.45 2k50 n ASP 8 Ca 0.02 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.00 2k50 n ASP 8 Cb 0.48 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.39 2k50 n ASP 8 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2k50 s THR 9 N 1.80 0.79 0.49 2.12 -1.32 -1.26 -4.84 115.64 113.42 2k50 s THR 9 Ca 0.00 -2.00 0.22 0.00 -1.21 0.00 0.00 61.69 58.70 2k50 s THR 9 Cb 0.00 -2.14 0.39 0.00 -1.51 0.00 0.00 72.50 69.24 2k50 s THR 9 CO 0.00 0.00 1.95 0.40 -2.21 0.00 0.00 174.62 174.76 2k50 h ILE 10 N 1.48 0.74 -0.20 5.08 2.04 -1.91 0.32 117.51 125.05 2k50 h ILE 10 Ca -0.39 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2k50 h ILE 10 Cb 1.30 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2k50 h ILE 10 CO 0.64 0.03 -0.15 0.77 0.00 0.00 0.00 178.15 179.44 2k50 h SER 11 N 0.17 0.32 0.65 1.72 4.64 -1.94 -3.10 113.55 116.00 2k50 h SER 11 Ca 0.32 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2k50 h SER 11 Cb 1.03 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2k50 h SER 11 CO -0.05 0.50 -1.26 0.29 -0.87 0.00 0.00 176.83 175.43 2k50 n LYS 12 N -4.22 0.57 -1.36 4.77 4.76 0.05 -4.95 118.16 117.78 2k50 n LYS 12 Ca -0.00 0.02 -0.55 0.00 -2.87 0.00 0.00 58.31 54.90 2k50 n LYS 12 Cb 0.31 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 31.69 2k50 n LYS 12 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k50 n LEU 13 N -2.45 1.49 -4.88 -0.35 4.77 -0.90 -4.90 117.00 109.77 2k50 n LEU 13 Ca -0.01 0.55 -0.36 0.00 -0.03 0.00 0.00 56.01 56.16 2k50 n LEU 13 Cb 0.54 -1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 2k50 n LEU 13 CO 0.42 -0.75 -0.17 -0.70 -1.33 0.00 0.00 177.39 174.86 2k50 s GLU 14 N 6.07 3.44 -0.76 3.23 2.12 -1.26 -4.96 118.70 126.58 2k50 s GLU 14 Ca 1.14 -0.17 -0.26 0.00 0.36 0.00 0.00 54.97 56.04 2k50 s GLU 14 Cb -1.16 -3.17 -0.13 0.00 0.26 0.00 0.00 34.13 29.93 2k50 s GLU 14 CO 0.57 0.76 2.42 -0.85 -0.54 0.00 0.00 175.26 177.62 2k50 n GLU 15 N 1.76 0.61 0.00 4.30 0.28 -1.26 -1.16 120.64 125.17 2k50 n GLU 15 Ca -0.18 -0.76 0.00 0.00 -0.16 0.00 0.00 57.16 56.06 2k50 n GLU 15 Cb 0.54 -3.66 0.00 0.00 1.43 0.00 0.00 31.44 29.75 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 6.72 0.72 3.85 -1.84 0.00 0.11 -4.97 105.19 109.78 2k50 n GLY 16 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.60 3.73 -0.39 4.61 0.00 -0.31 -4.89 121.76 122.90 2k50 s ALA 17 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 2k50 s ALA 17 Cb 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.85 2k50 s ALA 17 CO 0.00 0.51 0.24 -2.00 0.00 0.00 0.00 175.76 174.51 2k50 s GLU 18 N -1.13 2.78 0.00 0.00 2.12 -1.26 -0.90 118.70 120.32 2k50 s GLU 18 Ca 0.23 -1.19 -0.18 0.00 0.36 0.00 0.00 54.97 54.18 2k50 s GLU 18 Cb -0.16 -3.78 0.03 0.00 0.26 0.00 0.00 34.13 30.48 2k50 s GLU 18 CO 0.12 -0.79 0.39 -0.08 -0.54 0.00 0.00 175.26 174.37 2k50 s THR 19 N 1.53 0.05 0.39 -1.70 -1.32 0.15 -4.82 115.64 109.92 2k50 s THR 19 Ca 0.02 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.83 2k50 s THR 19 Cb -0.20 -0.80 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 2k50 s THR 19 CO 0.06 -0.23 1.22 -2.16 -2.21 0.00 0.00 174.62 171.30 2k50 s PRO 20 N -1.75 4.07 0.28 7.08 0.04 -1.26 -2.23 135.00 141.23 2k50 s PRO 20 Ca -0.10 1.97 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2k50 s PRO 20 Cb -0.03 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2k50 s PRO 20 CO 0.03 -0.34 -0.09 0.14 0.04 0.00 0.00 177.00 176.77 2k50 s VAL 21 N -1.33 1.84 -0.05 -0.36 -7.23 0.83 -4.65 120.40 109.46 2k50 s VAL 21 Ca 0.56 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 58.47 2k50 s VAL 21 Cb -0.34 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2k50 s VAL 21 CO 0.43 -0.35 0.18 -0.89 -0.31 0.00 0.00 175.10 174.16 2k50 s THR 22 N -2.89 0.03 -0.10 5.32 2.01 -1.26 -0.12 115.64 118.62 2k50 s THR 22 Ca 0.29 -0.22 -0.33 0.00 0.31 0.00 0.00 61.69 61.74 2k50 s THR 22 Cb 0.02 -0.33 0.13 0.00 0.01 0.00 0.00 72.50 72.32 2k50 s THR 22 CO 0.12 -0.12 1.21 -0.83 -0.69 0.00 0.00 174.62 174.31 2k50 s GLY 23 N -0.39 -0.34 -0.27 4.40 0.00 -0.99 -4.67 107.32 105.05 2k50 s GLY 23 Ca -0.05 1.17 -0.28 0.00 0.00 0.00 0.00 44.72 45.56 2k50 s GLY 23 CO 0.01 0.35 1.00 0.50 0.00 0.00 0.00 173.10 174.96 2k50 s ARG 24 N -2.50 4.16 -0.33 2.90 0.52 -0.14 -2.43 118.95 121.14 2k50 s ARG 24 Ca 0.11 1.15 -0.28 0.00 -0.52 0.00 0.00 55.73 56.18 2k50 s ARG 24 Cb 0.01 -3.68 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 2k50 s ARG 24 CO -0.04 -0.71 1.91 0.08 0.02 0.00 0.00 175.30 176.56 2k50 s VAL 25 N 3.28 3.35 -0.18 3.52 1.01 -0.32 -0.79 120.40 130.27 2k50 s VAL 25 Ca 0.42 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 2k50 s VAL 25 Cb -0.14 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2k50 s VAL 25 CO 0.10 -0.34 -0.19 0.80 0.00 0.00 0.00 175.10 175.47 2k50 n MET 26 N 8.56 0.43 -4.53 2.72 1.56 -0.66 -1.08 117.12 124.11 2k50 n MET 26 Ca 0.25 0.13 -0.22 0.00 -0.27 0.00 0.00 57.70 57.59 2k50 n MET 26 Cb 0.47 -1.30 -0.15 0.00 2.15 0.00 0.00 33.22 34.39 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 1.16 -0.18 2.12 -0.14 -1.06 -4.74 119.74 114.55 2k50 s LYS 27 Ca -0.25 -0.40 0.01 0.00 -1.36 0.00 0.00 55.97 53.97 2k50 s LYS 27 Cb 0.08 -1.07 0.03 0.00 -1.68 0.00 0.00 37.83 35.19 2k50 s LYS 27 CO 0.39 0.17 -0.12 0.42 -0.76 0.00 0.00 175.35 175.45 2k50 s ILE 28 N 0.07 1.65 -0.26 2.17 1.01 -1.26 -0.18 121.20 124.40 2k50 s ILE 28 Ca -0.02 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 2k50 s ILE 28 Cb -0.09 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2k50 s ILE 28 CO 0.01 0.29 0.75 -0.44 0.00 0.00 0.00 174.94 175.55 2k50 s SER 29 N 1.42 6.71 0.46 3.58 0.01 -0.62 -5.02 113.70 120.23 2k50 s SER 29 Ca 0.01 0.84 -0.23 0.00 1.31 0.00 0.00 55.95 57.88 2k50 s SER 29 Cb -0.15 -2.40 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2k50 s SER 29 CO -0.09 -0.49 1.02 -1.20 0.41 0.00 0.00 173.24 172.89 2k50 n SER 30 N 5.95 1.25 -4.69 2.44 7.64 -1.26 -3.84 113.62 121.11 2k50 n SER 30 Ca 0.03 0.99 -0.53 0.00 1.01 0.00 0.00 58.87 60.37 2k50 n SER 30 Cb 0.48 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.25 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 -0.11 1.62 -3.34 1.43 -0.04 -1.26 -4.83 135.00 128.46 2k50 n PRO 31 Ca 0.10 0.59 -0.39 0.00 -0.04 0.00 0.00 63.50 63.76 2k50 n PRO 31 Cb 0.41 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.33 4.16 0.03 0.54 3.52 0.94 -4.86 118.95 126.61 2k50 s ARG 32 Ca 0.94 0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 56.70 2k50 s ARG 32 Cb -0.89 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 28.89 2k50 s ARG 32 CO 0.57 -0.11 0.35 0.99 -0.81 0.00 0.00 175.30 176.28 2k50 s THR 33 N 1.54 5.17 0.27 4.11 2.01 -1.26 -0.77 115.64 126.71 2k50 s THR 33 Ca 0.20 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.67 2k50 s THR 33 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2k50 s THR 33 CO 0.09 0.39 0.20 0.72 -0.69 0.00 0.00 174.62 175.33 2k50 s PHE 34 N -1.28 1.49 -0.42 4.92 -0.12 0.59 -4.99 117.98 118.18 2k50 s PHE 34 Ca 0.28 -1.51 -0.14 0.00 -0.05 0.00 0.00 56.93 55.51 2k50 s PHE 34 Cb -0.14 -0.67 0.03 0.00 -0.63 0.00 0.00 43.02 41.61 2k50 s PHE 34 CO 0.15 -0.73 0.31 0.99 -0.05 0.00 0.00 175.22 175.90 2k50 s THR 35 N -3.77 5.15 0.21 -4.49 2.01 -1.25 -3.88 115.64 109.62 2k50 s THR 35 Ca 0.39 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 2k50 s THR 35 Cb 0.05 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2k50 s THR 35 CO 0.20 -0.37 0.27 1.07 -0.69 0.00 0.00 174.62 175.10 2k50 n THR 36 N 5.14 0.00 0.08 -0.82 5.66 -0.47 -5.01 114.28 118.87 2k50 n THR 36 Ca -0.11 -0.18 -0.06 0.00 -3.05 0.00 0.00 64.05 60.64 2k50 n THR 36 Cb 0.46 -1.74 -0.03 0.00 -1.55 0.00 0.00 70.33 67.47 2k50 n THR 36 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2k50 h ARG 37 N 0.00 -0.31 -1.62 1.09 3.08 -1.90 -3.47 114.38 111.24 2k50 h ARG 37 Ca -0.09 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2k50 h ARG 37 Cb 0.25 0.07 -0.23 0.00 0.08 0.00 0.00 29.97 30.14 2k50 h ARG 37 CO 0.06 -0.21 0.49 0.21 -1.07 0.00 0.00 179.97 179.45 2k50 s LYS 38 N -3.98 0.64 0.00 0.04 2.20 -1.26 -5.02 119.74 112.36 2k50 s LYS 38 Ca -0.06 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2k50 s LYS 38 Cb 0.02 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2k50 s LYS 38 CO 0.21 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2k50 n GLY 39 N 0.93 2.11 3.90 5.54 0.00 -1.26 -4.96 105.19 111.44 2k50 n GLY 39 Ca -0.12 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 3.35 -0.08 1.61 0.52 -1.26 -5.04 118.95 118.05 2k50 s ARG 40 Ca 0.00 0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 2k50 s ARG 40 Cb 0.00 -2.25 -0.10 0.00 0.52 0.00 0.00 34.95 33.12 2k50 s ARG 40 CO 0.00 -0.49 0.50 1.05 0.02 0.00 0.00 175.30 176.39 2k50 h GLU 41 N -0.08 -0.16 -0.26 3.54 4.11 -1.93 -3.40 114.58 116.40 2k50 h GLU 41 Ca -0.46 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k50 h GLU 41 Cb 1.22 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k50 h GLU 41 CO 0.62 0.16 0.00 0.41 0.07 0.00 0.00 179.01 180.27 2k50 n GLY 42 N 1.15 0.23 3.39 1.06 0.00 -1.25 -1.37 105.19 108.38 2k50 n GLY 42 Ca -0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.81 1.45 -0.11 1.61 1.02 -1.26 -0.30 119.74 121.35 2k50 s LYS 43 Ca 0.00 -1.71 -0.11 0.00 0.02 0.00 0.00 55.97 54.17 2k50 s LYS 43 Cb 0.00 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.29 2k50 s LYS 43 CO 0.00 0.06 0.31 -0.48 -0.92 0.00 0.00 175.35 174.32 2k50 s LEU 44 N -3.38 0.80 0.09 3.17 0.05 0.05 -0.06 118.68 119.40 2k50 s LEU 44 Ca 0.27 0.58 0.05 0.00 0.05 0.00 0.00 54.13 55.09 2k50 s LEU 44 Cb 0.03 1.10 -0.03 0.00 -2.05 0.00 0.00 46.19 45.23 2k50 s LEU 44 CO 0.10 -0.14 -0.14 0.00 -0.55 0.00 0.00 176.35 175.62 2k50 s ALA 45 N 0.03 1.28 -0.18 1.48 0.00 0.51 -0.04 121.76 124.84 2k50 s ALA 45 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2k50 s ALA 45 Cb -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2k50 s ALA 45 CO 0.01 0.15 -0.09 -0.80 0.00 0.00 0.00 175.76 175.02 2k50 s ASN 46 N -1.97 3.07 -0.15 0.00 0.01 -1.25 -0.12 114.94 114.52 2k50 s ASN 46 Ca 0.02 -0.74 -0.03 0.00 -0.71 0.00 0.00 52.86 51.40 2k50 s ASN 46 Cb -0.08 -1.10 -0.02 0.00 0.41 0.00 0.00 41.25 40.45 2k50 s ASN 46 CO 0.02 -0.15 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.73 2k50 s VAL 47 N 1.50 3.73 -0.48 1.60 1.01 -0.03 -1.59 120.40 126.13 2k50 s VAL 47 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2k50 s VAL 47 Cb -0.15 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.64 2k50 s VAL 47 CO -0.08 0.49 0.64 -0.63 0.00 0.00 0.00 175.10 175.52 2k50 s ILE 48 N 0.42 4.84 -0.09 2.22 -1.09 0.75 -0.11 121.20 128.14 2k50 s ILE 48 Ca -0.05 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 2k50 s ILE 48 Cb -0.14 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 2k50 s ILE 48 CO 0.03 -0.74 0.01 0.27 -1.23 0.00 0.00 174.94 173.28 2k50 s ILE 49 N 2.75 4.36 -0.16 2.92 -4.36 -0.62 -1.66 121.20 124.42 2k50 s ILE 49 Ca 0.18 -0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.35 2k50 s ILE 49 Cb -0.17 -2.84 0.01 0.00 1.25 0.00 0.00 42.46 40.71 2k50 s ILE 49 CO 0.15 0.60 -0.19 0.00 0.24 0.00 0.00 174.94 175.74 2k50 s ALA 50 N -0.89 2.35 0.50 2.27 0.00 0.03 -0.67 121.76 125.35 2k50 s ALA 50 Ca 0.13 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.05 2k50 s ALA 50 Cb -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2k50 s ALA 50 CO 0.02 -0.14 0.49 0.34 0.00 0.00 0.00 175.76 176.48 2k50 s ASP 51 N 0.98 4.94 0.00 0.00 2.15 0.26 -0.97 116.67 124.03 2k50 s ASP 51 Ca -0.03 -0.94 0.22 0.00 0.43 0.00 0.00 52.55 52.24 2k50 s ASP 51 Cb -0.15 -0.01 0.98 0.00 -0.30 0.00 0.00 42.92 43.44 2k50 s ASP 51 CO -0.05 -0.98 1.72 0.47 -0.17 0.00 0.00 175.17 176.16 2k50 n ASP 52 N -1.80 0.00 -0.00 -0.34 8.00 -1.26 -2.98 116.55 118.17 2k50 n ASP 52 Ca 0.05 0.41 0.07 0.00 0.71 0.00 0.00 54.79 56.03 2k50 n ASP 52 Cb 0.62 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 41.17 2k50 n ASP 52 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k50 n THR 53 N -1.46 0.00 0.00 -3.53 -2.24 -1.26 -5.09 114.28 100.69 2k50 n THR 53 Ca 0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2k50 n THR 53 Cb 0.25 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.39 2.37 3.83 3.38 0.00 -1.16 -4.41 105.19 110.60 2k50 n GLY 54 Ca 0.02 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2k50 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k50 s GLU 55 N -2.02 3.24 -0.00 1.61 2.02 -1.26 -0.57 118.70 121.72 2k50 s GLU 55 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.65 2k50 s GLU 55 Cb 0.00 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 2k50 s GLU 55 CO 0.00 0.68 -0.10 -1.17 0.02 0.00 0.00 175.26 174.70 2k50 s LEU 56 N -1.63 2.04 -0.49 1.80 2.96 0.16 -4.25 118.68 119.27 2k50 s LEU 56 Ca 0.22 -0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 53.74 2k50 s LEU 56 Cb -0.12 -0.47 0.05 0.00 0.50 0.00 0.00 46.19 46.15 2k50 s LEU 56 CO 0.13 0.09 0.58 -0.60 -1.32 0.00 0.00 176.35 175.23 2k50 s ARG 57 N -0.36 3.11 -0.40 1.98 3.52 -0.56 -1.59 118.95 124.65 2k50 s ARG 57 Ca 0.03 -0.89 -0.26 0.00 -0.13 0.00 0.00 55.73 54.47 2k50 s ARG 57 Cb -0.04 -4.08 0.02 0.00 -1.56 0.00 0.00 34.95 29.29 2k50 s ARG 57 CO -0.00 -1.14 0.97 0.00 -0.81 0.00 0.00 175.30 174.32 2k50 s ALA 58 N 2.47 3.34 -0.46 6.12 0.00 0.84 -1.05 121.76 133.02 2k50 s ALA 58 Ca 0.14 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 2k50 s ALA 58 Cb -0.19 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.34 2k50 s ALA 58 CO 0.12 -1.78 0.65 0.08 0.00 0.00 0.00 175.76 174.83 2k50 s VAL 59 N 3.68 4.82 -0.53 0.00 1.01 0.61 -0.85 120.40 129.14 2k50 s VAL 59 Ca 0.40 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 2k50 s VAL 59 Cb -0.11 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2k50 s VAL 59 CO 0.22 -0.68 0.69 -0.36 0.00 0.00 0.00 175.10 174.97 2k50 s PHE 60 N 2.82 2.99 0.77 5.22 0.40 0.83 -2.70 117.98 128.30 2k50 s PHE 60 Ca 0.21 -0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 2k50 s PHE 60 Cb -0.15 -3.69 0.05 0.00 0.51 0.00 0.00 43.02 39.74 2k50 s PHE 60 CO 0.17 -1.13 1.08 -1.58 0.70 0.00 0.00 175.22 174.46 2k50 s TRP 61 N 2.89 2.83 0.52 0.36 0.52 -1.26 -0.36 118.94 124.43 2k50 s TRP 61 Ca 0.17 1.34 0.42 0.00 0.02 0.00 0.00 56.10 58.06 2k50 s TRP 61 Cb -0.18 -3.02 1.62 0.00 -1.15 0.00 0.00 33.47 30.73 2k50 s TRP 61 CO 0.13 -1.65 1.63 0.00 0.02 0.00 0.00 176.95 177.07 2k50 h THR 62 N -1.01 0.11 0.00 2.01 1.03 -0.87 0.67 112.91 114.85 2k50 h THR 62 Ca -0.45 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 2k50 h THR 62 Cb 1.24 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 2k50 h THR 62 CO 0.56 0.00 -0.65 -0.62 -0.01 0.00 0.00 175.52 174.80 2k50 n GLU 63 N -4.21 0.21 -0.14 0.00 -0.58 -1.26 -3.78 120.64 110.88 2k50 n GLU 63 Ca 0.39 0.05 0.09 0.00 -0.42 0.00 0.00 57.16 57.27 2k50 n GLU 63 Cb 1.71 -1.62 0.16 0.00 -0.57 0.00 0.00 31.44 31.13 2k50 n GLU 63 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2k50 n ASN 64 N -1.92 3.01 -0.01 1.62 4.13 0.23 -4.50 115.26 117.81 2k50 n ASN 64 Ca 0.04 -1.88 0.08 0.00 1.68 0.00 0.00 54.58 54.50 2k50 n ASN 64 Cb 0.41 -0.18 0.48 0.00 -1.54 0.00 0.00 39.78 38.95 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 3.49 1.00 0.00 2.41 1.08 -1.46 -0.83 117.51 123.20 2k50 h ILE 65 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2k50 h ILE 65 Cb 0.82 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2k50 h ILE 65 CO 0.00 0.08 0.07 0.07 -0.69 0.00 0.00 178.15 177.68 2k50 h LYS 66 N 0.43 0.00 0.00 2.37 2.10 -1.86 -1.03 116.57 118.58 2k50 h LYS 66 Ca 0.19 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.77 2k50 h LYS 66 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2k50 h LYS 66 CO -0.05 0.00 -0.34 -0.07 -2.00 0.00 0.00 179.45 176.99 2k50 h LEU 67 N 0.00 0.00 -0.64 7.07 3.38 -1.49 -3.33 115.31 120.31 2k50 h LEU 67 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k50 h LEU 67 Cb 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2k50 h LEU 67 CO 0.00 0.31 0.33 -0.07 0.09 0.00 0.00 178.44 179.10 2k50 h LEU 68 N 0.00 0.82 0.00 1.67 3.38 -1.32 -2.12 115.31 117.74 2k50 h LEU 68 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k50 h LEU 68 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2k50 h LEU 68 CO 0.04 0.71 0.00 2.29 0.09 0.00 0.00 178.44 181.57 2k50 n LYS 69 N -4.51 0.10 0.08 1.13 2.85 -1.25 -2.36 118.16 114.20 2k50 n LYS 69 Ca 0.05 0.24 -0.01 0.00 -1.05 0.00 0.00 58.31 57.54 2k50 n LYS 69 Cb 0.11 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.94 2k50 n LYS 69 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2k50 h LYS 70 N 0.00 0.00 -4.87 -1.58 1.57 -1.57 -3.47 116.57 106.65 2k50 h LYS 70 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2k50 h LYS 70 Cb 0.10 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.27 2k50 h LYS 70 CO 0.00 0.53 -0.60 -0.59 -0.57 0.00 0.00 179.45 178.22 2k50 s PHE 71 N -2.88 1.54 0.29 -1.35 -0.71 -1.00 -5.00 117.98 108.87 2k50 s PHE 71 Ca 0.01 -1.25 0.03 0.00 -1.04 0.00 0.00 56.93 54.68 2k50 s PHE 71 Cb 0.08 -0.87 -0.06 0.00 -1.21 0.00 0.00 43.02 40.96 2k50 s PHE 71 CO 0.78 -0.40 0.06 1.03 -1.34 0.00 0.00 175.22 175.35 2k50 s ARG 72 N -3.98 1.52 -0.77 1.99 0.52 -1.26 -4.92 118.95 112.06 2k50 s ARG 72 Ca 0.37 -1.83 -0.25 0.00 -0.52 0.00 0.00 55.73 53.50 2k50 s ARG 72 Cb 0.07 -0.62 -0.06 0.00 0.52 0.00 0.00 34.95 34.86 2k50 s ARG 72 CO 0.15 -0.21 2.05 -2.00 0.02 0.00 0.00 175.30 175.30 2k50 s GLU 73 N -3.94 2.36 0.00 3.54 2.12 -1.26 -2.48 118.70 119.04 2k50 s GLU 73 Ca 0.36 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.92 2k50 s GLU 73 Cb 0.08 -4.80 0.00 0.00 0.26 0.00 0.00 34.13 29.67 2k50 s GLU 73 CO 0.14 -3.40 0.00 0.41 -0.54 0.00 0.00 175.26 171.87 2k50 n GLY 74 N 6.48 1.98 3.76 -1.50 0.00 -0.25 -4.94 105.19 110.73 2k50 n GLY 74 Ca 0.36 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 4.53 -0.37 1.61 1.01 -1.04 -4.46 116.67 117.95 2k50 s ASP 75 Ca 0.00 1.91 -0.17 0.00 0.71 0.00 0.00 52.55 55.00 2k50 s ASP 75 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2k50 s ASP 75 CO 0.00 -2.02 0.45 -0.69 0.21 0.00 0.00 175.17 173.12 2k50 s VAL 76 N -2.72 5.08 0.21 -1.27 1.01 -1.26 -1.18 120.40 120.27 2k50 s VAL 76 Ca 0.63 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.75 2k50 s VAL 76 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2k50 s VAL 76 CO 0.52 -0.24 0.07 0.27 0.00 0.00 0.00 175.10 175.72 2k50 s ILE 77 N 2.22 3.97 -0.24 2.22 -4.36 -1.02 -0.76 121.20 123.23 2k50 s ILE 77 Ca 0.15 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2k50 s ILE 77 Cb -0.16 -3.07 0.06 0.00 1.25 0.00 0.00 42.46 40.54 2k50 s ILE 77 CO 0.13 -0.23 -0.06 -0.60 0.24 0.00 0.00 174.94 174.42 2k50 s ARG 78 N -3.37 1.75 -0.23 0.37 3.52 0.97 -2.35 118.95 119.61 2k50 s ARG 78 Ca 0.30 -1.08 -0.20 0.00 -0.13 0.00 0.00 55.73 54.62 2k50 s ARG 78 Cb -0.08 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 2k50 s ARG 78 CO 0.21 -0.60 0.59 0.42 -0.81 0.00 0.00 175.30 175.11 2k50 s ILE 79 N 1.33 5.03 -0.26 4.11 1.01 0.82 -0.86 121.20 132.38 2k50 s ILE 79 Ca -0.06 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.56 2k50 s ILE 79 Cb -0.19 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 2k50 s ILE 79 CO -0.06 0.08 0.16 -0.75 0.00 0.00 0.00 174.94 174.37 2k50 s LYS 80 N 2.18 3.93 -0.32 2.79 2.20 -0.01 -0.12 119.74 130.40 2k50 s LYS 80 Ca 0.26 -0.34 -0.08 0.00 -0.36 0.00 0.00 55.97 55.45 2k50 s LYS 80 Cb -0.16 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2k50 s LYS 80 CO 0.09 -0.10 0.23 -0.25 -0.36 0.00 0.00 175.35 174.95 2k50 n ASP 81 N 4.78 -7.67 -4.22 1.43 8.00 -1.26 -3.64 116.55 113.97 2k50 n ASP 81 Ca -0.15 0.94 -0.20 0.00 0.71 0.00 0.00 54.79 56.09 2k50 n ASP 81 Cb 0.52 -4.65 -0.10 0.00 -0.02 0.00 0.00 41.12 36.87 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 -1.84 0.66 -0.29 2.53 -7.23 -0.95 -4.60 120.40 108.68 2k50 s VAL 82 Ca 0.10 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.17 2k50 s VAL 82 Cb -0.02 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2k50 s VAL 82 CO 0.69 0.00 0.15 0.20 -0.31 0.00 0.00 175.10 175.84 2k50 s ASN 83 N -3.44 5.65 -0.32 4.85 0.02 -0.24 -0.68 114.94 120.78 2k50 s ASN 83 Ca 0.34 -0.29 -0.26 0.00 -1.02 0.00 0.00 52.86 51.63 2k50 s ASN 83 Cb 0.06 -2.03 0.01 0.00 0.02 0.00 0.00 41.25 39.31 2k50 s ASN 83 CO 0.15 -0.12 0.90 -0.63 0.02 0.00 0.00 177.10 177.42 2k50 s ILE 84 N 1.67 4.67 -0.15 0.60 -1.09 -0.08 -0.25 121.20 126.57 2k50 s ILE 84 Ca 0.06 1.34 0.01 0.00 -2.23 0.00 0.00 60.65 59.82 2k50 s ILE 84 Cb -0.16 -4.27 -0.23 0.00 -1.58 0.00 0.00 42.46 36.22 2k50 s ILE 84 CO 0.08 -0.38 0.25 0.54 -1.23 0.00 0.00 174.94 174.19 2k50 n ARG 85 N 6.52 0.71 -3.21 2.79 5.12 -0.94 0.10 116.66 127.75 2k50 n ARG 85 Ca 0.07 0.22 -0.12 0.00 -1.93 0.00 0.00 57.85 56.09 2k50 n ARG 85 Cb 0.48 -1.66 0.06 0.00 -1.16 0.00 0.00 32.46 30.17 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 1.96 -1.18 3.76 -0.13 0.00 -1.17 -4.51 105.19 103.92 2k50 n GLY 86 Ca -0.33 0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 2k50 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k50 s GLY 87 N -3.31 3.03 -0.60 -0.02 0.00 -1.26 -4.89 107.32 100.27 2k50 s GLY 87 Ca 0.37 1.05 -0.26 0.00 0.00 0.00 0.00 44.72 45.88 2k50 s GLY 87 CO 0.74 1.67 2.36 -0.12 0.00 0.00 0.00 173.10 177.74 2k50 s PHE 88 N -1.17 1.15 -0.26 1.90 5.36 -1.26 -4.53 117.98 119.17 2k50 s PHE 88 Ca 0.47 1.61 0.04 0.00 -0.96 0.00 0.00 56.93 58.08 2k50 s PHE 88 Cb -0.35 -3.59 0.14 0.00 -0.34 0.00 0.00 43.02 38.88 2k50 s PHE 88 CO 0.46 -2.22 1.04 0.41 -1.46 0.00 0.00 175.22 173.44 2k50 n GLY 89 N 6.23 -0.14 5.44 13.12 0.00 -1.26 -5.05 105.19 123.52 2k50 n GLY 89 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.54 1.44 3.84 -0.02 0.00 -1.26 -4.81 105.19 103.83 2k50 n GLY 90 Ca -0.17 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 3.89 0.79 1.61 0.52 -1.26 -5.09 118.95 119.40 2k50 s ARG 91 Ca 0.00 0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 55.45 2k50 s ARG 91 Cb 0.00 -3.22 0.18 0.00 0.52 0.00 0.00 34.95 32.43 2k50 s ARG 91 CO 0.00 0.69 0.96 1.63 0.02 0.00 0.00 175.30 178.60 2k50 n LYS 92 N 1.85 -1.39 -3.82 3.54 5.02 -1.26 -4.73 118.16 117.37 2k50 n LYS 92 Ca -0.14 -1.49 -0.12 0.00 -2.02 0.00 0.00 58.31 54.53 2k50 n LYS 92 Cb 0.52 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 34.35 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 -5.11 0.42 -0.04 1.97 -1.05 -1.26 -1.49 118.70 112.13 2k50 s GLU 93 Ca 0.56 -0.06 0.07 0.00 -0.15 0.00 0.00 54.97 55.38 2k50 s GLU 93 Cb -0.02 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.84 2k50 s GLU 93 CO 0.40 -0.09 -0.24 0.00 0.95 0.00 0.00 175.26 176.28 2k50 s ALA 94 N -0.73 2.21 -0.15 -0.84 0.00 -0.21 -2.22 121.76 119.83 2k50 s ALA 94 Ca -0.08 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2k50 s ALA 94 Cb -0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2k50 s ALA 94 CO 0.01 0.48 -0.09 -1.01 0.00 0.00 0.00 175.76 175.15 2k50 s HIS 95 N -0.40 2.90 0.09 0.00 3.76 0.65 -0.28 115.29 122.01 2k50 s HIS 95 Ca 0.04 -0.55 -0.15 0.00 -0.15 0.00 0.00 55.06 54.25 2k50 s HIS 95 Cb -0.12 -1.91 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 2k50 s HIS 95 CO 0.01 -0.18 0.50 -0.51 -0.85 0.00 0.00 174.74 173.71 2k50 s LEU 96 N 0.45 4.40 0.26 0.89 1.02 -1.10 -1.08 118.68 123.53 2k50 s LEU 96 Ca -0.07 1.04 0.07 0.00 0.02 0.00 0.00 54.13 55.19 2k50 s LEU 96 Cb -0.15 -3.01 -0.03 0.00 0.02 0.00 0.00 46.19 43.02 2k50 s LEU 96 CO 0.04 0.19 0.23 -0.04 0.02 0.00 0.00 176.35 176.79 2k50 s MET 97 N -1.61 2.97 0.65 1.70 -1.94 -1.26 -4.57 119.30 115.23 2k50 s MET 97 Ca 0.32 -1.04 0.30 0.00 -1.71 0.00 0.00 55.69 53.56 2k50 s MET 97 Cb -0.16 -2.60 1.60 0.00 2.01 0.00 0.00 34.83 35.68 2k50 s MET 97 CO 0.18 0.37 1.92 -1.00 -0.01 0.00 0.00 175.02 176.48 2k50 h PRO 98 N 1.42 0.00 0.00 2.03 0.13 -1.99 0.29 132.00 133.88 2k50 h PRO 98 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k50 h PRO 98 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k50 h PRO 98 CO 0.60 0.00 -0.70 0.00 -0.23 0.00 0.00 178.00 177.67 2k50 h ARG 99 N 0.00 0.00 -6.88 0.86 3.08 -1.95 -3.48 114.38 106.01 2k50 h ARG 99 Ca 0.05 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.61 2k50 h ARG 99 Cb 0.76 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.83 2k50 h ARG 99 CO -0.00 0.00 0.44 -1.12 -1.07 0.00 0.00 179.97 178.22 2k50 s SER 100 N -4.26 7.00 0.28 7.04 0.01 0.10 -5.07 113.70 118.80 2k50 s SER 100 Ca 0.05 2.16 0.02 0.00 1.31 0.00 0.00 55.95 59.50 2k50 s SER 100 Cb 0.13 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 2k50 s SER 100 CO 0.74 -0.32 0.07 0.42 0.41 0.00 0.00 173.24 174.55 2k50 s THR 101 N -1.40 0.85 -0.04 1.44 -4.23 -1.24 -4.84 115.64 106.17 2k50 s THR 101 Ca 0.51 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 2k50 s THR 101 Cb -0.27 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.92 2k50 s THR 101 CO 0.34 -0.05 -0.11 0.68 -0.54 0.00 0.00 174.62 174.94 2k50 s VAL 102 N -3.55 0.97 -0.09 2.29 -7.23 -1.26 -0.83 120.40 110.71 2k50 s VAL 102 Ca 0.36 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 2k50 s VAL 102 Cb 0.08 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 2k50 s VAL 102 CO 0.14 0.30 -0.21 -1.83 -0.31 0.00 0.00 175.10 173.18 2k50 s GLU 103 N 0.24 2.89 -0.24 4.82 -1.05 -0.04 -4.96 118.70 120.36 2k50 s GLU 103 Ca -0.05 -0.83 -0.23 0.00 -0.15 0.00 0.00 54.97 53.72 2k50 s GLU 103 Cb -0.10 -2.33 -0.01 0.00 -0.44 0.00 0.00 34.13 31.24 2k50 s GLU 103 CO 0.01 0.31 0.73 0.14 0.95 0.00 0.00 175.26 177.40 2k50 s VAL 104 N 0.05 4.91 -0.62 1.83 -7.23 -1.26 -0.02 120.40 118.05 2k50 s VAL 104 Ca -0.08 1.37 0.25 0.00 -1.81 0.00 0.00 61.98 61.70 2k50 s VAL 104 Cb -0.15 -4.03 0.13 0.00 0.56 0.00 0.00 36.38 32.89 2k50 s VAL 104 CO 0.05 -0.01 1.45 -0.07 -0.31 0.00 0.00 175.10 176.22 2k50 h LEU 105 N 8.93 0.00 0.39 1.32 3.38 -1.26 -0.67 115.31 127.40 2k50 h LEU 105 Ca -0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2k50 h LEU 105 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k50 h LEU 105 CO 0.82 0.06 -0.19 -0.78 0.09 0.00 0.00 178.44 178.45 2k50 h ASP 106 N 0.00 -0.44 1.15 -0.43 3.58 -1.86 -3.14 116.42 115.27 2k50 h ASP 106 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2k50 h ASP 106 Cb 0.78 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2k50 h ASP 106 CO 0.00 0.00 0.00 -0.65 -2.88 0.00 0.00 179.24 175.71 2k50 h PRO 107 N -1.08 0.00 -2.98 0.28 0.11 -1.89 -3.49 132.00 122.94 2k50 h PRO 107 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2k50 h PRO 107 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2k50 h PRO 107 CO 0.09 0.00 -0.40 -0.11 -0.21 0.00 0.00 178.00 177.37 2k50 n LEU 108 N -2.90 -3.85 0.00 2.35 -0.00 -0.32 -5.04 117.00 107.25 2k50 n LEU 108 Ca 0.02 1.18 0.00 0.00 -0.00 0.00 0.00 56.01 57.21 2k50 n LEU 108 Cb 0.33 -1.91 0.00 0.00 -0.00 0.00 0.00 43.42 41.85 2k50 n LEU 108 CO 0.27 -1.11 0.00 -0.62 -0.00 0.00 0.00 177.39 175.93 2k50 n GLU 109 N 0.74 0.00 0.00 1.96 4.71 -0.86 -4.97 120.64 122.23 2k50 n GLU 109 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2k50 n GLU 109 Cb 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94