#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 0.28 -0.56 3.17 2.47 -1.26 -5.12 119.74 118.71 2k50 s LYS 2 Ca 0.00 -0.00 -0.25 0.00 -1.56 0.00 0.00 55.97 54.15 2k50 s LYS 2 Cb 0.00 0.05 0.04 0.00 -1.46 0.00 0.00 37.83 36.46 2k50 s LYS 2 CO 0.00 -0.43 1.02 -1.25 0.16 0.00 0.00 175.35 174.85 2k50 s PRO 3 N 2.25 3.38 -0.01 4.03 0.04 -1.26 -4.93 135.00 138.50 2k50 s PRO 3 Ca 0.18 -0.13 -0.11 0.00 0.04 0.00 0.00 61.00 60.98 2k50 s PRO 3 Cb 0.00 -4.05 -0.32 0.00 0.04 0.00 0.00 34.50 30.18 2k50 s PRO 3 CO -0.16 -1.56 0.81 1.05 0.04 0.00 0.00 177.00 177.18 2k50 h GLU 4 N 9.39 0.41 -6.28 4.56 9.09 -2.04 -3.47 114.58 126.24 2k50 h GLU 4 Ca -0.26 -0.71 -0.56 0.00 0.05 0.00 0.00 59.36 57.89 2k50 h GLU 4 Cb 1.07 0.26 -0.03 0.00 -1.65 0.00 0.00 28.75 28.40 2k50 h GLU 4 CO 1.12 1.32 -0.24 -3.38 0.05 0.00 0.00 179.01 177.88 2k50 s HIS 5 N -2.59 3.46 -0.46 2.06 -3.43 -1.26 -5.00 115.29 108.06 2k50 s HIS 5 Ca -0.12 0.63 0.14 0.00 -0.80 0.00 0.00 55.06 54.90 2k50 s HIS 5 Cb 0.05 -2.07 -0.17 0.00 -1.43 0.00 0.00 32.58 28.97 2k50 s HIS 5 CO 0.88 0.35 0.50 -2.13 -2.00 0.00 0.00 174.74 172.34 2k50 n ARG 6 N -0.18 1.93 -3.55 -0.38 0.63 -1.26 -4.95 116.66 108.89 2k50 n ARG 6 Ca -0.02 -0.04 -0.40 0.00 -0.92 0.00 0.00 57.85 56.48 2k50 n ARG 6 Cb 0.52 -1.19 -0.11 0.00 0.45 0.00 0.00 32.46 32.13 2k50 n ARG 6 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2k50 s MET 7 N -2.48 3.62 0.21 -0.14 1.00 -1.26 -4.30 119.30 115.95 2k50 s MET 7 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 55.69 55.18 2k50 s MET 7 Cb 0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 34.83 31.17 2k50 s MET 7 CO 0.56 -0.37 0.08 -0.25 0.00 0.00 0.00 175.02 175.04 2k50 n ASP 8 N 5.09 1.02 -4.71 3.03 8.00 -1.26 -5.03 116.55 122.68 2k50 n ASP 8 Ca -0.13 -2.12 -0.28 0.00 0.71 0.00 0.00 54.79 52.97 2k50 n ASP 8 Cb 0.50 0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 42.07 2k50 n ASP 8 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k50 s THR 9 N -2.35 1.91 0.27 -3.53 2.01 -1.26 -4.61 115.64 108.08 2k50 s THR 9 Ca 0.11 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.26 2k50 s THR 9 Cb 0.01 -2.76 0.27 0.00 0.01 0.00 0.00 72.50 70.03 2k50 s THR 9 CO 0.08 0.00 1.68 0.40 -0.69 0.00 0.00 174.62 176.09 2k50 h ILE 10 N 1.49 0.46 -0.40 1.82 2.04 -1.85 -0.22 117.51 120.85 2k50 h ILE 10 Ca -0.43 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.43 2k50 h ILE 10 Cb 1.26 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2k50 h ILE 10 CO 0.74 0.06 0.30 -1.28 0.00 0.00 0.00 178.15 177.97 2k50 h SER 11 N 0.33 0.00 -0.67 1.72 0.87 -1.90 -1.79 113.55 112.11 2k50 h SER 11 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2k50 h SER 11 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2k50 h SER 11 CO -0.54 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.05 2k50 n LYS 12 N -4.35 2.88 -2.33 2.24 4.76 -0.10 -4.87 118.16 116.39 2k50 n LYS 12 Ca 0.07 -2.61 -0.35 0.00 -2.87 0.00 0.00 58.31 52.54 2k50 n LYS 12 Cb 0.49 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.12 3.38 0.28 -0.35 1.43 -0.68 -4.94 118.68 116.69 2k50 s LEU 13 Ca 0.46 -1.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.02 2k50 s LEU 13 Cb 0.25 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 2k50 s LEU 13 CO 0.30 -2.06 0.79 -0.70 0.23 0.00 0.00 176.35 174.91 2k50 s GLU 14 N 5.74 4.27 0.32 1.70 2.12 -1.26 -4.78 118.70 126.81 2k50 s GLU 14 Ca 0.58 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 56.56 2k50 s GLU 14 Cb -0.02 -2.72 -0.11 0.00 0.26 0.00 0.00 34.13 31.54 2k50 s GLU 14 CO -0.02 0.29 1.48 -1.83 -0.54 0.00 0.00 175.26 174.64 2k50 s GLU 15 N -2.28 4.18 0.00 4.30 -1.05 -1.26 -2.06 118.70 120.53 2k50 s GLU 15 Ca 0.48 2.48 0.00 0.00 -0.15 0.00 0.00 54.97 57.78 2k50 s GLU 15 Cb -0.15 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 2k50 s GLU 15 CO 0.20 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.33 2k50 n GLY 16 N 1.29 1.79 3.90 -3.83 0.00 0.55 -4.96 105.19 103.94 2k50 n GLY 16 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.06 3.53 -0.26 4.61 0.00 -0.87 -4.91 121.76 120.79 2k50 s ALA 17 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2k50 s ALA 17 Cb 0.00 -2.43 0.06 0.00 0.00 0.00 0.00 23.12 20.75 2k50 s ALA 17 CO 0.00 0.09 -0.09 -2.00 0.00 0.00 0.00 175.76 173.76 2k50 s GLU 18 N -3.82 2.07 -0.05 0.00 2.12 -1.26 -1.95 118.70 115.81 2k50 s GLU 18 Ca 0.46 -1.27 -0.18 0.00 0.36 0.00 0.00 54.97 54.33 2k50 s GLU 18 Cb -0.10 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.50 2k50 s GLU 18 CO 0.32 -0.59 0.41 -0.08 -0.54 0.00 0.00 175.26 174.79 2k50 s THR 19 N 1.17 0.04 0.61 -1.70 -1.32 -0.96 -4.92 115.64 108.55 2k50 s THR 19 Ca -0.08 -0.30 -0.19 0.00 -1.21 0.00 0.00 61.69 59.92 2k50 s THR 19 Cb -0.20 -0.70 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 2k50 s THR 19 CO -0.05 -0.16 1.21 -2.65 -2.21 0.00 0.00 174.62 170.75 2k50 n PRO 20 N 1.45 1.17 -4.46 7.08 -0.02 -1.26 -3.63 135.00 135.33 2k50 n PRO 20 Ca -0.20 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.47 2k50 n PRO 20 Cb 0.56 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 2k50 n PRO 20 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2k50 s VAL 21 N -1.40 1.85 0.06 -1.45 -7.23 0.79 -4.23 120.40 108.80 2k50 s VAL 21 Ca 0.78 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 2k50 s VAL 21 Cb -0.40 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2k50 s VAL 21 CO 0.44 0.08 -0.20 -0.89 -0.31 0.00 0.00 175.10 174.22 2k50 s THR 22 N -1.01 1.60 0.00 5.32 2.01 -1.26 -0.24 115.64 122.06 2k50 s THR 22 Ca 0.09 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.79 2k50 s THR 22 Cb -0.10 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.99 2k50 s THR 22 CO 0.04 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2k50 n GLY 23 N 1.58 1.16 3.67 4.40 0.00 -1.06 -4.64 105.19 110.31 2k50 n GLY 23 Ca -0.18 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 2k50 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 24 N -2.00 4.24 -0.40 1.61 0.52 -0.74 -2.48 118.95 119.69 2k50 s ARG 24 Ca 0.00 0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 55.46 2k50 s ARG 24 Cb 0.00 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 2k50 s ARG 24 CO 0.00 -0.13 1.83 0.08 0.02 0.00 0.00 175.30 177.10 2k50 s VAL 25 N 1.54 3.44 -0.21 3.52 1.01 -0.13 -0.50 120.40 129.07 2k50 s VAL 25 Ca 0.27 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 2k50 s VAL 25 Cb -0.16 -3.70 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 2k50 s VAL 25 CO 0.11 -0.52 0.06 0.80 0.00 0.00 0.00 175.10 175.55 2k50 n MET 26 N 8.61 0.62 -4.22 2.72 1.56 -0.50 -1.25 117.12 124.65 2k50 n MET 26 Ca 0.23 0.39 -0.17 0.00 -0.27 0.00 0.00 57.70 57.88 2k50 n MET 26 Cb 0.48 -1.65 -0.13 0.00 2.15 0.00 0.00 33.22 34.07 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 -2.46 0.66 -0.10 2.12 -0.14 -0.98 -4.64 119.74 114.20 2k50 s LYS 27 Ca -0.31 -0.56 0.01 0.00 -1.36 0.00 0.00 55.97 53.75 2k50 s LYS 27 Cb 0.09 -0.59 0.02 0.00 -1.68 0.00 0.00 37.83 35.67 2k50 s LYS 27 CO 0.60 0.14 -0.09 0.42 -0.76 0.00 0.00 175.35 175.66 2k50 s ILE 28 N -0.75 1.09 -0.01 2.17 1.01 -1.26 -0.06 121.20 123.39 2k50 s ILE 28 Ca -0.02 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 2k50 s ILE 28 Cb -0.06 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2k50 s ILE 28 CO 0.00 0.37 0.63 -0.55 0.00 0.00 0.00 174.94 175.39 2k50 s SER 29 N 1.35 6.99 0.62 3.58 0.15 0.54 -5.02 113.70 121.91 2k50 s SER 29 Ca -0.02 1.18 -0.19 0.00 0.70 0.00 0.00 55.95 57.63 2k50 s SER 29 Cb -0.14 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2k50 s SER 29 CO -0.04 0.05 1.29 -0.44 1.20 0.00 0.00 173.24 175.30 2k50 s SER 30 N 0.02 4.80 -0.22 5.45 0.01 -1.26 -3.84 113.70 118.67 2k50 s SER 30 Ca 0.33 2.62 -0.36 0.00 1.31 0.00 0.00 55.95 59.85 2k50 s SER 30 Cb -0.18 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.31 2k50 s SER 30 CO 0.18 -1.88 1.96 -0.81 0.41 0.00 0.00 173.24 173.10 2k50 n PRO 31 N -1.71 1.61 -3.37 12.44 -0.04 -1.26 -4.72 135.00 137.95 2k50 n PRO 31 Ca 0.15 0.55 -0.39 0.00 -0.04 0.00 0.00 63.50 63.77 2k50 n PRO 31 Cb 0.48 -2.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.35 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 4.73 4.05 -0.08 0.54 3.52 0.89 -4.87 118.95 127.74 2k50 s ARG 32 Ca 0.99 0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 56.49 2k50 s ARG 32 Cb -0.81 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 28.91 2k50 s ARG 32 CO 0.53 -0.24 0.59 0.99 -0.81 0.00 0.00 175.30 176.36 2k50 s THR 33 N 1.95 5.08 0.11 4.11 2.01 -1.26 -1.11 115.64 126.53 2k50 s THR 33 Ca 0.16 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.40 2k50 s THR 33 Cb -0.16 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2k50 s THR 33 CO 0.09 0.31 -0.09 0.72 -0.69 0.00 0.00 174.62 174.97 2k50 s PHE 34 N 0.53 1.05 -0.55 4.92 -0.12 0.41 -4.96 117.98 119.25 2k50 s PHE 34 Ca 0.32 -0.76 -0.25 0.00 -0.05 0.00 0.00 56.93 56.19 2k50 s PHE 34 Cb -0.17 -0.57 0.04 0.00 -0.63 0.00 0.00 43.02 41.69 2k50 s PHE 34 CO 0.15 -0.03 0.97 0.99 -0.05 0.00 0.00 175.22 177.25 2k50 s THR 35 N -3.04 4.35 0.12 -4.49 2.01 -1.26 -3.96 115.64 109.37 2k50 s THR 35 Ca 0.10 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 2k50 s THR 35 Cb 0.01 -4.56 0.02 0.00 0.01 0.00 0.00 72.50 67.99 2k50 s THR 35 CO -0.01 -1.13 0.17 1.07 -0.69 0.00 0.00 174.62 174.02 2k50 n THR 36 N 6.26 0.00 -0.57 -0.82 5.66 -1.26 -4.93 114.28 118.62 2k50 n THR 36 Ca 0.03 -0.25 -0.04 0.00 -3.05 0.00 0.00 64.05 60.73 2k50 n THR 36 Cb 0.48 -1.35 -0.06 0.00 -1.55 0.00 0.00 70.33 67.84 2k50 n THR 36 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2k50 n ARG 37 N -1.31 1.14 0.00 1.09 3.00 -1.26 -4.94 116.66 114.37 2k50 n ARG 37 Ca 0.03 -0.37 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 2k50 n ARG 37 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.07 2k50 n ARG 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k50 n LYS 38 N 2.10 0.00 0.00 -0.14 5.02 -1.26 -4.89 118.16 118.99 2k50 n LYS 38 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2k50 n LYS 38 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2k50 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k50 n GLY 39 N 0.00 1.70 3.59 0.72 0.00 -1.26 -4.84 105.19 105.10 2k50 n GLY 39 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 2.05 0.23 1.61 0.52 -1.26 -5.04 118.95 117.06 2k50 s ARG 40 Ca 0.00 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 53.52 2k50 s ARG 40 Cb 0.00 -1.98 0.21 0.00 0.52 0.00 0.00 34.95 33.70 2k50 s ARG 40 CO 0.00 0.28 1.84 1.05 0.02 0.00 0.00 175.30 178.50 2k50 h GLU 41 N 1.97 1.24 -0.28 3.54 4.11 -1.91 -3.43 114.58 119.82 2k50 h GLU 41 Ca -0.43 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2k50 h GLU 41 Cb 1.25 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k50 h GLU 41 CO 0.62 0.93 0.00 0.41 0.07 0.00 0.00 179.01 181.04 2k50 n GLY 42 N -1.08 0.19 3.11 1.06 0.00 -1.25 -4.30 105.19 102.92 2k50 n GLY 42 Ca 0.09 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.84 0.54 -0.01 1.61 1.02 -1.26 -0.45 119.74 120.36 2k50 s LYS 43 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.36 2k50 s LYS 43 Cb 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 2k50 s LYS 43 CO 0.00 -0.13 0.10 -0.48 -0.92 0.00 0.00 175.35 173.91 2k50 s LEU 44 N -1.78 1.69 -0.09 3.17 0.05 -0.27 0.14 118.68 121.59 2k50 s LEU 44 Ca -0.10 -0.10 0.03 0.00 0.05 0.00 0.00 54.13 54.01 2k50 s LEU 44 Cb -0.04 0.46 0.00 0.00 -2.05 0.00 0.00 46.19 44.56 2k50 s LEU 44 CO -0.02 -0.24 -0.20 0.00 -0.55 0.00 0.00 176.35 175.35 2k50 s ALA 45 N -0.87 1.85 -0.40 1.48 0.00 0.81 -0.07 121.76 124.55 2k50 s ALA 45 Ca -0.10 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 2k50 s ALA 45 Cb -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2k50 s ALA 45 CO 0.01 0.22 0.30 -0.80 0.00 0.00 0.00 175.76 175.49 2k50 s ASN 46 N 0.47 6.11 -0.20 0.00 0.01 -1.25 -0.55 114.94 119.53 2k50 s ASN 46 Ca -0.17 -0.78 -0.05 0.00 -0.71 0.00 0.00 52.86 51.14 2k50 s ASN 46 Cb -0.17 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 2k50 s ASN 46 CO 0.07 -0.42 0.01 -0.69 -1.51 0.00 0.00 177.10 174.55 2k50 s VAL 47 N 1.74 4.06 -0.52 1.60 1.01 0.19 -0.34 120.40 128.14 2k50 s VAL 47 Ca 0.06 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 2k50 s VAL 47 Cb -0.18 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.43 2k50 s VAL 47 CO 0.10 0.43 0.59 -0.63 0.00 0.00 0.00 175.10 175.60 2k50 s ILE 48 N 0.92 4.95 -0.10 2.22 -1.09 0.92 -0.79 121.20 128.23 2k50 s ILE 48 Ca 0.02 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2k50 s ILE 48 Cb -0.14 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.39 2k50 s ILE 48 CO 0.02 -0.84 0.00 0.27 -1.23 0.00 0.00 174.94 173.16 2k50 s ILE 49 N 2.41 4.31 -0.07 2.92 -4.36 -0.92 -1.42 121.20 124.07 2k50 s ILE 49 Ca 0.12 -0.24 0.05 0.00 -0.26 0.00 0.00 60.65 60.31 2k50 s ILE 49 Cb -0.22 -2.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.67 2k50 s ILE 49 CO 0.09 0.59 -0.23 0.00 0.24 0.00 0.00 174.94 175.63 2k50 s ALA 50 N -0.73 2.05 0.19 2.27 0.00 0.35 -0.78 121.76 125.11 2k50 s ALA 50 Ca 0.11 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2k50 s ALA 50 Cb -0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 2k50 s ALA 50 CO 0.02 0.34 0.05 0.34 0.00 0.00 0.00 175.76 176.51 2k50 s ASP 51 N 0.10 0.93 0.55 0.00 2.15 0.05 -1.80 116.67 118.65 2k50 s ASP 51 Ca -0.10 -1.26 0.23 0.00 0.43 0.00 0.00 52.55 51.85 2k50 s ASP 51 Cb -0.15 0.19 1.50 0.00 -0.30 0.00 0.00 42.92 44.16 2k50 s ASP 51 CO 0.06 -0.67 2.16 0.44 -0.17 0.00 0.00 175.17 176.99 2k50 h ASP 52 N 2.64 0.00 -0.06 -0.34 5.19 -2.00 -1.30 116.42 120.55 2k50 h ASP 52 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2k50 h ASP 52 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2k50 h ASP 52 CO 0.61 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 177.08 2k50 n THR 53 N -4.21 0.06 0.00 0.35 -2.24 -1.26 -5.02 114.28 101.95 2k50 n THR 53 Ca -0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2k50 n THR 53 Cb 0.17 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.19 3.25 3.73 3.38 0.00 -0.49 -2.82 105.19 113.43 2k50 n GLY 54 Ca 0.18 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.18 3.41 0.01 1.61 2.02 -1.26 -0.77 118.70 121.54 2k50 s GLU 55 Ca 0.00 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.76 2k50 s GLU 55 Cb 0.00 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2k50 s GLU 55 CO 0.00 0.60 -0.21 -1.17 0.02 0.00 0.00 175.26 174.51 2k50 s LEU 56 N -0.57 2.08 -0.56 1.80 2.96 0.04 -4.00 118.68 120.44 2k50 s LEU 56 Ca 0.11 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.41 2k50 s LEU 56 Cb -0.12 -1.04 0.10 0.00 0.50 0.00 0.00 46.19 45.63 2k50 s LEU 56 CO 0.02 0.22 0.62 -0.60 -1.32 0.00 0.00 176.35 175.29 2k50 s ARG 57 N -0.73 3.03 -0.04 1.98 3.52 -0.23 -2.16 118.95 124.31 2k50 s ARG 57 Ca 0.08 -1.37 -0.26 0.00 -0.13 0.00 0.00 55.73 54.04 2k50 s ARG 57 Cb -0.08 -4.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.03 2k50 s ARG 57 CO 0.00 -1.41 0.81 0.00 -0.81 0.00 0.00 175.30 173.89 2k50 s ALA 58 N 2.31 3.27 -0.36 6.12 0.00 0.03 -1.12 121.76 132.01 2k50 s ALA 58 Ca 0.09 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.28 2k50 s ALA 58 Cb -0.25 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2k50 s ALA 58 CO 0.06 -0.16 0.13 0.08 0.00 0.00 0.00 175.76 175.87 2k50 s VAL 59 N 0.90 3.65 -0.54 0.00 1.01 0.39 -0.63 120.40 125.18 2k50 s VAL 59 Ca 0.43 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2k50 s VAL 59 Cb -0.19 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.07 2k50 s VAL 59 CO 0.22 -0.32 0.71 -0.36 0.00 0.00 0.00 175.10 175.35 2k50 s PHE 60 N 1.34 2.97 0.78 5.22 0.40 0.28 -2.72 117.98 126.25 2k50 s PHE 60 Ca 0.00 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 2k50 s PHE 60 Cb -0.21 -3.76 0.06 0.00 0.51 0.00 0.00 43.02 39.63 2k50 s PHE 60 CO 0.01 -1.17 1.08 -1.58 0.70 0.00 0.00 175.22 174.26 2k50 s TRP 61 N 2.96 2.69 0.52 0.36 0.52 -1.26 -0.13 118.94 124.60 2k50 s TRP 61 Ca 0.18 1.42 0.47 0.00 0.02 0.00 0.00 56.10 58.19 2k50 s TRP 61 Cb -0.19 -3.04 1.65 0.00 -1.15 0.00 0.00 33.47 30.75 2k50 s TRP 61 CO 0.12 -1.77 1.50 -2.37 0.02 0.00 0.00 176.95 174.45 2k50 n THR 62 N -3.49 -0.02 -0.11 2.01 5.66 0.12 0.92 114.28 119.37 2k50 n THR 62 Ca 0.08 1.46 -0.11 0.00 -3.05 0.00 0.00 64.05 62.42 2k50 n THR 62 Cb 0.54 -2.43 -0.03 0.00 -1.55 0.00 0.00 70.33 66.86 2k50 n THR 62 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2k50 h GLU 63 N 0.00 0.64 -0.01 1.09 4.39 -1.90 -3.29 114.58 115.50 2k50 h GLU 63 Ca 0.90 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 60.35 2k50 h GLU 63 Cb 3.56 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 32.18 2k50 h GLU 63 CO -0.05 0.82 -0.14 0.09 -1.16 0.00 0.00 179.01 178.57 2k50 n ASN 64 N -4.43 1.54 -0.18 1.42 4.13 0.26 -4.20 115.26 113.81 2k50 n ASN 64 Ca -0.02 -1.33 0.19 0.00 1.68 0.00 0.00 54.58 55.10 2k50 n ASN 64 Cb 0.34 0.10 0.55 0.00 -1.54 0.00 0.00 39.78 39.23 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 2.20 0.71 0.00 2.41 1.08 -1.47 0.61 117.51 123.04 2k50 h ILE 65 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2k50 h ILE 65 Cb 0.58 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2k50 h ILE 65 CO 0.00 0.06 0.00 0.07 -0.69 0.00 0.00 178.15 177.59 2k50 h LYS 66 N 0.32 0.00 0.00 2.37 2.10 -1.82 -2.43 116.57 117.10 2k50 h LYS 66 Ca 0.41 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.03 2k50 h LYS 66 Cb 1.11 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2k50 h LYS 66 CO -0.12 0.00 -0.38 -0.07 -2.00 0.00 0.00 179.45 176.88 2k50 h LEU 67 N 0.00 0.00 -1.72 7.07 3.38 -1.18 -3.35 115.31 119.51 2k50 h LEU 67 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2k50 h LEU 67 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2k50 h LEU 67 CO 0.00 0.14 0.31 -0.07 0.09 0.00 0.00 178.44 178.90 2k50 h LEU 68 N 0.00 0.30 -0.01 1.67 3.38 -1.55 -0.90 115.31 118.21 2k50 h LEU 68 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k50 h LEU 68 Cb 1.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k50 h LEU 68 CO 0.02 0.19 -0.00 2.29 0.09 0.00 0.00 178.44 181.03 2k50 n LYS 69 N -4.47 0.42 0.24 1.13 2.85 -1.26 -3.12 118.16 113.96 2k50 n LYS 69 Ca 0.06 -0.01 0.15 0.00 -1.05 0.00 0.00 58.31 57.47 2k50 n LYS 69 Cb 0.28 -1.50 0.49 0.00 -0.65 0.00 0.00 35.03 33.65 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 0.01 0.00 -4.87 -1.58 1.57 -1.39 -3.46 116.57 106.86 2k50 h LYS 70 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2k50 h LYS 70 Cb 0.29 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.47 2k50 h LYS 70 CO 0.00 0.00 -0.50 -0.59 -0.57 0.00 0.00 179.45 177.79 2k50 s PHE 71 N -3.46 1.71 0.35 -1.35 -0.71 -1.18 -5.05 117.98 108.29 2k50 s PHE 71 Ca 0.04 -1.64 0.04 0.00 -1.04 0.00 0.00 56.93 54.33 2k50 s PHE 71 Cb 0.08 -0.70 -0.06 0.00 -1.21 0.00 0.00 43.02 41.14 2k50 s PHE 71 CO 0.57 -0.86 0.06 1.03 -1.34 0.00 0.00 175.22 174.69 2k50 s ARG 72 N -3.50 1.75 -0.24 1.99 0.52 -1.26 -4.94 118.95 113.26 2k50 s ARG 72 Ca 0.41 -2.00 -0.29 0.00 -0.52 0.00 0.00 55.73 53.33 2k50 s ARG 72 Cb 0.03 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.56 2k50 s ARG 72 CO 0.26 -0.23 1.46 -2.00 0.02 0.00 0.00 175.30 174.82 2k50 s GLU 73 N -3.85 3.89 0.00 3.54 2.12 -1.26 -2.77 118.70 120.37 2k50 s GLU 73 Ca 0.33 1.51 0.00 0.00 0.36 0.00 0.00 54.97 57.17 2k50 s GLU 73 Cb 0.08 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.51 2k50 s GLU 73 CO 0.15 -1.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 2k50 n GLY 74 N 4.43 1.03 3.96 -1.50 0.00 -0.38 -5.02 105.19 107.71 2k50 n GLY 74 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.90 5.97 -0.30 1.61 1.01 -1.11 -4.81 116.67 118.14 2k50 s ASP 75 Ca 0.00 0.16 -0.15 0.00 0.71 0.00 0.00 52.55 53.27 2k50 s ASP 75 Cb 0.00 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 2k50 s ASP 75 CO 0.00 -0.52 0.36 -0.69 0.21 0.00 0.00 175.17 174.53 2k50 s VAL 76 N -2.37 5.18 0.42 -1.27 1.01 -1.26 -0.96 120.40 121.15 2k50 s VAL 76 Ca 0.45 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.83 2k50 s VAL 76 Cb -0.10 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2k50 s VAL 76 CO 0.35 0.07 0.03 0.27 0.00 0.00 0.00 175.10 175.83 2k50 s ILE 77 N 2.04 1.43 -0.20 2.22 -4.36 -1.04 -0.50 121.20 120.80 2k50 s ILE 77 Ca 0.13 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.47 2k50 s ILE 77 Cb -0.16 -2.66 0.10 0.00 1.25 0.00 0.00 42.46 40.99 2k50 s ILE 77 CO 0.11 0.00 0.36 -0.60 0.24 0.00 0.00 174.94 175.05 2k50 s ARG 78 N -3.79 0.28 -0.18 0.37 3.52 0.24 -2.56 118.95 116.83 2k50 s ARG 78 Ca 0.26 0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 56.46 2k50 s ARG 78 Cb 0.07 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 2k50 s ARG 78 CO 0.13 -0.40 0.46 0.42 -0.81 0.00 0.00 175.30 175.11 2k50 s ILE 79 N 2.53 5.16 -0.09 4.11 1.01 0.67 -0.80 121.20 133.80 2k50 s ILE 79 Ca 0.04 0.87 -0.06 0.00 0.00 0.00 0.00 60.65 61.50 2k50 s ILE 79 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2k50 s ILE 79 CO -0.13 0.25 0.15 -0.75 0.00 0.00 0.00 174.94 174.46 2k50 s LYS 80 N 1.22 3.42 -0.45 2.79 2.20 -0.38 -0.15 119.74 128.39 2k50 s LYS 80 Ca 0.23 -0.20 -0.20 0.00 -0.36 0.00 0.00 55.97 55.44 2k50 s LYS 80 Cb -0.15 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.05 2k50 s LYS 80 CO 0.09 0.75 0.62 -0.25 -0.36 0.00 0.00 175.35 176.20 2k50 n ASP 81 N 1.70 -7.43 -4.09 1.43 8.00 -1.26 -3.89 116.55 111.00 2k50 n ASP 81 Ca -0.17 0.37 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 2k50 n ASP 81 Cb 0.54 -4.60 -0.10 0.00 -0.02 0.00 0.00 41.12 36.95 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 -2.39 0.20 -0.09 2.53 -7.23 -1.24 -4.59 120.40 107.59 2k50 s VAL 82 Ca 0.27 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2k50 s VAL 82 Cb -0.06 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2k50 s VAL 82 CO 0.79 0.00 -0.14 0.20 -0.31 0.00 0.00 175.10 175.64 2k50 s ASN 83 N -3.26 4.01 -0.20 4.85 0.02 -0.89 -2.28 114.94 117.18 2k50 s ASN 83 Ca 0.38 -0.26 -0.16 0.00 -1.02 0.00 0.00 52.86 51.80 2k50 s ASN 83 Cb 0.06 -1.20 -0.04 0.00 0.02 0.00 0.00 41.25 40.09 2k50 s ASN 83 CO 0.15 0.26 0.40 -0.63 0.02 0.00 0.00 177.10 177.30 2k50 s ILE 84 N -0.23 5.20 -2.51 0.60 -1.09 -0.82 -0.94 121.20 121.40 2k50 s ILE 84 Ca 0.01 0.71 0.23 0.00 -2.23 0.00 0.00 60.65 59.37 2k50 s ILE 84 Cb -0.13 -3.73 0.42 0.00 -1.58 0.00 0.00 42.46 37.43 2k50 s ILE 84 CO 0.03 0.25 1.41 0.54 -1.23 0.00 0.00 174.94 175.93 2k50 n ARG 85 N 4.49 2.47 0.00 2.79 5.12 -0.86 -0.33 116.66 130.34 2k50 n ARG 85 Ca -0.08 -2.22 0.00 0.00 -1.93 0.00 0.00 57.85 53.62 2k50 n ARG 85 Cb 0.51 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 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 1.49 2.90 2.79 -0.13 0.00 -1.26 -4.74 105.19 106.24 2k50 n GLY 86 Ca 0.19 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -3.63 3.56 -0.02 0.00 -1.26 -3.89 105.19 99.95 2k50 n GLY 87 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 2k50 n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k50 s PHE 88 N -1.38 1.95 0.00 1.61 5.36 -1.26 -3.70 117.98 120.56 2k50 s PHE 88 Ca -0.03 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.27 2k50 s PHE 88 Cb 0.00 -4.17 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 2k50 s PHE 88 CO 0.64 -1.75 0.00 0.41 -1.46 0.00 0.00 175.22 173.06 2k50 n GLY 89 N 6.79 -0.03 5.00 13.12 0.00 -1.26 -4.95 105.19 123.87 2k50 n GLY 89 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 1.59 3.54 -0.02 0.00 -1.24 -4.86 105.19 104.20 2k50 n GLY 90 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 3.19 1.29 1.61 0.52 -1.26 -4.99 118.95 119.32 2k50 s ARG 91 Ca 0.00 -0.27 -0.17 0.00 -0.52 0.00 0.00 55.73 54.76 2k50 s ARG 91 Cb 0.00 -4.18 0.33 0.00 0.52 0.00 0.00 34.95 31.62 2k50 s ARG 91 CO 0.00 -2.12 0.98 0.15 0.02 0.00 0.00 175.30 174.33 2k50 s LYS 92 N 5.61 -1.94 0.01 3.54 1.02 -1.25 -4.36 119.74 122.37 2k50 s LYS 92 Ca 0.34 0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.80 2k50 s LYS 92 Cb -0.09 -1.46 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2k50 s LYS 92 CO 0.15 -4.31 0.04 -1.83 -0.92 0.00 0.00 175.35 168.48 2k50 s GLU 93 N -4.73 0.34 -0.08 1.68 -1.05 -1.26 -1.07 118.70 112.53 2k50 s GLU 93 Ca 0.69 -0.44 0.01 0.00 -0.15 0.00 0.00 54.97 55.07 2k50 s GLU 93 Cb -0.20 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.65 2k50 s GLU 93 CO 0.62 -0.07 -0.09 0.00 0.95 0.00 0.00 175.26 176.67 2k50 s ALA 94 N -1.24 1.17 -0.15 -0.84 0.00 -0.28 -2.02 121.76 118.40 2k50 s ALA 94 Ca -0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 2k50 s ALA 94 Cb -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2k50 s ALA 94 CO 0.00 -0.14 0.06 -1.01 0.00 0.00 0.00 175.76 174.67 2k50 s HIS 95 N 1.17 3.29 0.76 0.00 3.76 -0.12 -0.46 115.29 123.68 2k50 s HIS 95 Ca -0.06 0.18 -0.05 0.00 -0.15 0.00 0.00 55.06 54.98 2k50 s HIS 95 Cb -0.14 -1.98 0.12 0.00 1.11 0.00 0.00 32.58 31.69 2k50 s HIS 95 CO -0.02 0.34 1.05 -0.51 -0.85 0.00 0.00 174.74 174.75 2k50 s LEU 96 N -0.20 2.91 0.23 0.89 1.02 -1.10 -2.11 118.68 120.32 2k50 s LEU 96 Ca 0.08 -0.01 0.05 0.00 0.02 0.00 0.00 54.13 54.27 2k50 s LEU 96 Cb -0.12 -2.39 -0.05 0.00 0.02 0.00 0.00 46.19 43.65 2k50 s LEU 96 CO 0.01 -1.93 -0.04 -0.04 0.02 0.00 0.00 176.35 174.37 2k50 s MET 97 N -5.30 1.34 0.44 1.70 -1.94 -1.26 -4.86 119.30 109.43 2k50 s MET 97 Ca 0.66 -1.66 0.24 0.00 -1.71 0.00 0.00 55.69 53.22 2k50 s MET 97 Cb -0.07 -0.79 1.29 0.00 2.01 0.00 0.00 34.83 37.27 2k50 s MET 97 CO 0.46 -0.01 1.69 -1.00 -0.01 0.00 0.00 175.02 176.14 2k50 h PRO 98 N 2.48 0.00 -0.14 2.03 0.13 -1.98 -0.14 132.00 134.38 2k50 h PRO 98 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k50 h PRO 98 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k50 h PRO 98 CO 0.65 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.96 2k50 n ARG 99 N -2.43 1.45 -2.63 0.86 1.74 -1.26 -4.97 116.66 109.42 2k50 n ARG 99 Ca -0.02 -1.47 -0.42 0.00 -0.77 0.00 0.00 57.85 55.18 2k50 n ARG 99 Cb 0.21 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 2k50 n ARG 99 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2k50 s SER 100 N -0.89 7.32 0.31 0.55 0.01 -0.07 -5.05 113.70 115.88 2k50 s SER 100 Ca 0.15 1.82 0.10 0.00 1.31 0.00 0.00 55.95 59.33 2k50 s SER 100 Cb 0.09 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2k50 s SER 100 CO 0.13 -0.26 -0.08 0.42 0.41 0.00 0.00 173.24 173.86 2k50 s THR 101 N 0.64 2.64 -0.09 1.44 -4.23 -1.25 -4.83 115.64 109.96 2k50 s THR 101 Ca 0.52 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.92 2k50 s THR 101 Cb -0.24 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.98 2k50 s THR 101 CO 0.29 -0.30 -0.24 0.68 -0.54 0.00 0.00 174.62 174.52 2k50 s VAL 102 N -2.50 2.12 0.07 2.29 -7.23 -1.26 -1.25 120.40 112.63 2k50 s VAL 102 Ca 0.32 -1.02 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 2k50 s VAL 102 Cb -0.02 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2k50 s VAL 102 CO 0.17 0.56 -0.15 -1.83 -0.31 0.00 0.00 175.10 173.55 2k50 s GLU 103 N 0.15 2.08 -0.06 4.82 -1.05 0.02 -4.94 118.70 119.73 2k50 s GLU 103 Ca -0.13 -1.00 -0.15 0.00 -0.15 0.00 0.00 54.97 53.54 2k50 s GLU 103 Cb -0.16 -2.24 -0.05 0.00 -0.44 0.00 0.00 34.13 31.24 2k50 s GLU 103 CO 0.07 0.53 0.39 0.14 0.95 0.00 0.00 175.26 177.33 2k50 s VAL 104 N -1.05 5.13 0.00 1.83 -7.23 -1.26 0.81 120.40 118.63 2k50 s VAL 104 Ca 0.17 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 2k50 s VAL 104 Cb -0.11 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2k50 s VAL 104 CO 0.09 0.50 0.00 0.18 -0.31 0.00 0.00 175.10 175.55 2k50 n LEU 105 N 2.51 0.00 -0.90 1.32 4.77 0.34 -4.67 117.00 120.37 2k50 n LEU 105 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2k50 n LEU 105 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2k50 n LEU 105 CO 0.39 0.00 -0.38 0.47 -1.33 0.00 0.00 177.39 176.54 2k50 n ASP 106 N 0.00 -4.88 -0.03 -1.43 9.92 -1.26 -4.80 116.55 114.06 2k50 n ASP 106 Ca 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 2k50 n ASP 106 Cb 0.00 -2.99 0.00 0.00 -0.64 0.00 0.00 41.12 37.49 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k50 n PRO 107 N -3.19 0.00 -1.54 -0.24 -0.02 -1.26 -4.33 135.00 124.42 2k50 n PRO 107 Ca -0.05 0.00 -0.60 0.00 -2.02 0.00 0.00 63.50 60.84 2k50 n PRO 107 Cb 0.40 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.80 2k50 n PRO 107 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k50 n LEU 108 N 0.00 0.28 0.11 2.45 -0.00 -1.26 -4.92 117.00 113.66 2k50 n LEU 108 Ca 0.00 1.16 -0.21 0.00 -0.00 0.00 0.00 56.01 56.96 2k50 n LEU 108 Cb 0.00 -0.94 -0.15 0.00 -0.00 0.00 0.00 43.42 42.33 2k50 n LEU 108 CO 0.00 -1.70 -0.27 -0.33 -0.00 0.00 0.00 177.39 175.09 2k50 h GLU 109 N 3.40 0.41 0.00 1.96 4.39 -1.83 -3.53 114.58 119.37 2k50 h GLU 109 Ca -0.50 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 58.51 2k50 h GLU 109 Cb 1.41 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 2k50 h GLU 109 CO 0.70 1.32 0.00 0.72 -1.16 0.00 0.00 179.01 180.59