#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 4.24 -0.58 2.12 3.01 -1.26 -4.93 119.74 122.34 2k50 s LYS 2 Ca 0.00 1.90 -0.26 0.00 -1.01 0.00 0.00 55.97 56.60 2k50 s LYS 2 Cb 0.00 -3.77 -0.06 0.00 -1.01 0.00 0.00 37.83 33.00 2k50 s LYS 2 CO 0.00 -0.70 2.22 -1.25 0.51 0.00 0.00 175.35 176.13 2k50 s PRO 3 N 3.28 2.23 0.17 -1.68 0.04 -1.26 -4.93 135.00 132.86 2k50 s PRO 3 Ca 0.63 0.99 -0.32 0.00 0.04 0.00 0.00 61.00 62.34 2k50 s PRO 3 Cb -0.28 -4.57 -0.11 0.00 0.04 0.00 0.00 34.50 29.59 2k50 s PRO 3 CO 0.23 -3.23 1.69 -1.21 0.04 0.00 0.00 177.00 174.51 2k50 s GLU 4 N 7.89 4.16 -0.28 4.56 2.02 -1.26 -5.00 118.70 130.79 2k50 s GLU 4 Ca 0.86 2.51 -0.17 0.00 0.02 0.00 0.00 54.97 58.20 2k50 s GLU 4 Cb -0.15 -3.22 0.09 0.00 0.10 0.00 0.00 34.13 30.95 2k50 s GLU 4 CO 0.21 -0.72 0.72 -3.38 0.02 0.00 0.00 175.26 172.11 2k50 s HIS 5 N 1.52 -1.00 -1.08 1.61 -3.43 -1.26 -5.08 115.29 106.57 2k50 s HIS 5 Ca 0.74 2.03 -0.06 0.00 -0.80 0.00 0.00 55.06 56.97 2k50 s HIS 5 Cb -0.47 0.59 0.28 0.00 -1.43 0.00 0.00 32.58 31.55 2k50 s HIS 5 CO 0.32 -0.50 1.19 0.54 -2.00 0.00 0.00 174.74 174.30 2k50 n ARG 6 N 4.14 3.72 -2.74 -0.38 5.12 -1.26 -4.81 116.66 120.44 2k50 n ARG 6 Ca -0.19 -4.50 0.02 0.00 -1.93 0.00 0.00 57.85 51.25 2k50 n ARG 6 Cb 0.59 -2.52 0.01 0.00 -1.16 0.00 0.00 32.46 29.37 2k50 n ARG 6 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2k50 s MET 7 N -1.78 0.09 -0.08 5.56 1.75 -1.26 -4.44 119.30 119.14 2k50 s MET 7 Ca 0.31 -0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.75 2k50 s MET 7 Cb -0.05 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.62 2k50 s MET 7 CO -0.03 -0.14 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.54 2k50 s ASP 8 N 2.05 3.92 0.90 1.11 1.01 -1.26 -5.04 116.67 119.36 2k50 s ASP 8 Ca 0.15 -0.28 -0.12 0.00 0.71 0.00 0.00 52.55 53.01 2k50 s ASP 8 Cb 0.04 -1.15 0.13 0.00 1.01 0.00 0.00 42.92 42.95 2k50 s ASP 8 CO -0.16 0.27 1.11 0.28 0.21 0.00 0.00 175.17 176.87 2k50 s THR 9 N -0.25 2.42 0.28 -1.27 -1.32 -1.26 -4.78 115.64 109.45 2k50 s THR 9 Ca 0.01 0.14 -0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2k50 s THR 9 Cb -0.13 -2.78 0.28 0.00 -1.51 0.00 0.00 72.50 68.36 2k50 s THR 9 CO 0.03 -0.18 1.87 0.40 -2.21 0.00 0.00 174.62 174.53 2k50 h ILE 10 N -1.49 1.02 0.00 5.08 2.04 -1.90 0.36 117.51 122.62 2k50 h ILE 10 Ca -0.50 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2k50 h ILE 10 Cb 1.31 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2k50 h ILE 10 CO 0.59 0.20 -0.03 -1.28 0.00 0.00 0.00 178.15 177.63 2k50 h SER 11 N 1.09 0.00 -0.37 1.72 0.87 -1.90 -2.67 113.55 112.30 2k50 h SER 11 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2k50 h SER 11 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k50 h SER 11 CO -0.20 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 176.42 2k50 n LYS 12 N -3.60 2.36 -2.06 2.24 4.76 0.10 -4.99 118.16 116.97 2k50 n LYS 12 Ca -0.03 -2.07 -0.42 0.00 -2.87 0.00 0.00 58.31 52.93 2k50 n LYS 12 Cb 0.13 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.11 4.31 0.05 -0.35 1.43 -1.01 -4.90 118.68 117.11 2k50 s LEU 13 Ca 0.30 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 55.62 2k50 s LEU 13 Cb 0.17 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 2k50 s LEU 13 CO 0.22 -0.88 0.07 -0.70 0.23 0.00 0.00 176.35 175.29 2k50 s GLU 14 N 3.62 2.92 0.07 1.70 2.12 -1.26 -5.05 118.70 122.81 2k50 s GLU 14 Ca 0.71 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 2k50 s GLU 14 Cb -0.33 -2.75 -0.10 0.00 0.26 0.00 0.00 34.13 31.21 2k50 s GLU 14 CO 0.28 0.59 1.92 -1.83 -0.54 0.00 0.00 175.26 175.69 2k50 s GLU 15 N -2.12 4.14 0.00 4.30 -1.05 -1.26 -1.21 118.70 121.49 2k50 s GLU 15 Ca 0.26 2.62 0.00 0.00 -0.15 0.00 0.00 54.97 57.71 2k50 s GLU 15 Cb -0.12 -3.94 0.00 0.00 -0.44 0.00 0.00 34.13 29.63 2k50 s GLU 15 CO 0.18 -0.92 0.00 0.41 0.95 0.00 0.00 175.26 175.89 2k50 n GLY 16 N 4.44 0.29 3.68 -3.83 0.00 0.48 -5.02 105.19 105.24 2k50 n GLY 16 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 3.57 -0.42 4.61 0.00 -0.35 -4.79 121.76 122.31 2k50 s ALA 17 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 2k50 s ALA 17 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2k50 s ALA 17 CO 0.00 -0.93 0.29 -2.00 0.00 0.00 0.00 175.76 173.12 2k50 s GLU 18 N 2.59 2.87 0.04 0.00 2.12 -1.26 -1.16 118.70 123.90 2k50 s GLU 18 Ca 0.60 -1.20 -0.17 0.00 0.36 0.00 0.00 54.97 54.57 2k50 s GLU 18 Cb -0.28 -3.92 0.03 0.00 0.26 0.00 0.00 34.13 30.23 2k50 s GLU 18 CO 0.23 -0.84 0.39 -0.08 -0.54 0.00 0.00 175.26 174.42 2k50 s THR 19 N 1.59 0.06 0.29 -1.70 -1.32 -0.58 -4.84 115.64 109.15 2k50 s THR 19 Ca 0.03 -0.50 -0.29 0.00 -1.21 0.00 0.00 61.69 59.72 2k50 s THR 19 Cb -0.21 -0.94 -0.10 0.00 -1.51 0.00 0.00 72.50 69.74 2k50 s THR 19 CO 0.07 -0.27 1.19 -2.16 -2.21 0.00 0.00 174.62 171.24 2k50 s PRO 20 N -2.46 4.51 0.09 7.08 0.04 -1.26 -1.25 135.00 141.75 2k50 s PRO 20 Ca -0.05 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2k50 s PRO 20 Cb -0.01 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2k50 s PRO 20 CO -0.02 0.02 -0.21 0.14 0.04 0.00 0.00 177.00 176.97 2k50 s VAL 21 N -1.06 1.74 -0.03 -0.36 -7.23 0.46 -4.28 120.40 109.65 2k50 s VAL 21 Ca 0.47 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2k50 s VAL 21 Cb -0.35 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 2k50 s VAL 21 CO 0.46 0.02 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.16 2k50 s THR 22 N -1.06 1.75 -0.08 5.32 2.01 -1.26 0.03 115.64 122.36 2k50 s THR 22 Ca 0.07 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 2k50 s THR 22 Cb -0.10 -1.46 0.10 0.00 0.01 0.00 0.00 72.50 71.05 2k50 s THR 22 CO 0.04 0.49 0.84 -0.83 -0.69 0.00 0.00 174.62 174.47 2k50 s GLY 23 N -0.41 -0.43 -0.29 4.40 0.00 -0.52 -4.80 107.32 105.27 2k50 s GLY 23 Ca 0.06 1.52 -0.24 0.00 0.00 0.00 0.00 44.72 46.05 2k50 s GLY 23 CO 0.00 0.84 0.81 0.50 0.00 0.00 0.00 173.10 175.26 2k50 s ARG 24 N -1.62 4.02 -0.22 2.90 0.52 -0.22 -1.43 118.95 122.90 2k50 s ARG 24 Ca -0.04 0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 55.59 2k50 s ARG 24 Cb -0.00 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 2k50 s ARG 24 CO 0.02 -0.65 2.10 0.08 0.02 0.00 0.00 175.30 176.87 2k50 s VAL 25 N 2.97 3.13 -0.27 3.52 1.01 0.13 -0.43 120.40 130.45 2k50 s VAL 25 Ca 0.34 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 2k50 s VAL 25 Cb -0.14 -3.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.96 2k50 s VAL 25 CO 0.11 -0.10 -0.35 0.80 0.00 0.00 0.00 175.10 175.57 2k50 n MET 26 N 8.58 0.58 -4.28 2.72 1.56 -0.08 -2.02 117.12 124.19 2k50 n MET 26 Ca 0.27 0.25 -0.18 0.00 -0.27 0.00 0.00 57.70 57.78 2k50 n MET 26 Cb 0.45 -1.47 -0.14 0.00 2.15 0.00 0.00 33.22 34.22 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 -2.50 0.70 -0.10 2.12 -0.14 -1.02 -4.71 119.74 114.09 2k50 s LYS 27 Ca -0.38 -0.50 0.01 0.00 -1.36 0.00 0.00 55.97 53.74 2k50 s LYS 27 Cb 0.15 -0.65 0.02 0.00 -1.68 0.00 0.00 37.83 35.67 2k50 s LYS 27 CO 0.48 0.17 -0.12 0.42 -0.76 0.00 0.00 175.35 175.54 2k50 s ILE 28 N -0.58 1.27 0.27 2.17 1.01 -1.26 0.01 121.20 124.08 2k50 s ILE 28 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2k50 s ILE 28 Cb -0.06 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 2k50 s ILE 28 CO 0.00 0.40 0.51 -0.44 0.00 0.00 0.00 174.94 175.41 2k50 s SER 29 N 1.20 6.42 0.53 3.58 0.01 -0.06 -5.02 113.70 120.36 2k50 s SER 29 Ca -0.03 0.60 -0.19 0.00 1.31 0.00 0.00 55.95 57.64 2k50 s SER 29 Cb -0.14 -2.10 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 2k50 s SER 29 CO -0.04 -0.16 1.07 -0.44 0.41 0.00 0.00 173.24 174.09 2k50 s SER 30 N -3.23 5.99 0.04 2.44 0.01 -1.26 -4.23 113.70 113.47 2k50 s SER 30 Ca 0.42 1.99 -0.30 0.00 1.31 0.00 0.00 55.95 59.36 2k50 s SER 30 Cb -0.11 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2k50 s SER 30 CO 0.30 -1.03 1.14 -2.16 0.41 0.00 0.00 173.24 171.91 2k50 s PRO 31 N -3.44 4.47 -0.13 12.44 0.04 -1.26 -4.57 135.00 142.54 2k50 s PRO 31 Ca 0.68 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 2k50 s PRO 31 Cb -0.19 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 2k50 s PRO 31 CO 0.26 -0.20 0.36 0.50 0.04 0.00 0.00 177.00 177.96 2k50 s ARG 32 N 1.05 4.21 -0.22 4.56 3.52 0.67 -4.89 118.95 127.85 2k50 s ARG 32 Ca 0.57 0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 56.26 2k50 s ARG 32 Cb -0.27 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 2k50 s ARG 32 CO 0.29 0.29 0.35 0.99 -0.81 0.00 0.00 175.30 176.41 2k50 s THR 33 N 0.26 5.23 0.47 4.11 2.01 -1.26 -1.33 115.64 125.12 2k50 s THR 33 Ca 0.20 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.81 2k50 s THR 33 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2k50 s THR 33 CO 0.07 0.25 0.02 0.72 -0.69 0.00 0.00 174.62 174.99 2k50 s PHE 34 N 1.40 2.04 -0.18 4.92 -0.12 -0.12 -4.99 117.98 120.93 2k50 s PHE 34 Ca 0.16 -0.91 -0.06 0.00 -0.05 0.00 0.00 56.93 56.07 2k50 s PHE 34 Cb -0.15 -1.61 -0.03 0.00 -0.63 0.00 0.00 43.02 40.60 2k50 s PHE 34 CO 0.08 0.24 0.03 0.99 -0.05 0.00 0.00 175.22 176.50 2k50 s THR 35 N -2.88 4.37 0.80 -4.49 2.01 -1.21 -3.32 115.64 110.92 2k50 s THR 35 Ca 0.16 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 2k50 s THR 35 Cb 0.04 -2.96 0.11 0.00 0.01 0.00 0.00 72.50 69.69 2k50 s THR 35 CO 0.08 0.45 1.13 0.42 -0.69 0.00 0.00 174.62 176.02 2k50 s THR 36 N 0.58 2.12 -0.96 -0.82 -4.23 0.39 -4.97 115.64 107.74 2k50 s THR 36 Ca 0.01 -0.16 0.17 0.00 -1.18 0.00 0.00 61.69 60.52 2k50 s THR 36 Cb -0.13 -2.95 0.63 0.00 1.34 0.00 0.00 72.50 71.38 2k50 s THR 36 CO 0.02 0.00 1.54 -2.11 -0.54 0.00 0.00 174.62 173.53 2k50 n ARG 37 N -3.23 3.47 -0.00 3.99 1.85 -1.26 -4.72 116.66 116.76 2k50 n ARG 37 Ca 0.10 -2.75 -0.00 0.00 -1.00 0.00 0.00 57.85 54.20 2k50 n ARG 37 Cb 0.60 -1.78 -0.00 0.00 -1.05 0.00 0.00 32.46 30.23 2k50 n ARG 37 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2k50 n LYS 38 N 0.79 0.03 0.13 2.89 3.00 -1.26 -5.10 118.16 118.64 2k50 n LYS 38 Ca 0.23 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2k50 n LYS 38 Cb 0.81 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 35.47 2k50 n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k50 n GLY 39 N 2.27 -1.31 3.91 3.14 0.00 -1.26 -5.15 105.19 106.78 2k50 n GLY 39 Ca -0.01 0.26 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 3.16 0.02 1.61 0.52 -1.26 -4.97 118.95 116.02 2k50 s ARG 40 Ca 0.00 0.16 -0.03 0.00 -0.52 0.00 0.00 55.73 55.34 2k50 s ARG 40 Cb 0.00 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.20 2k50 s ARG 40 CO 0.00 -0.58 1.06 1.05 0.02 0.00 0.00 175.30 176.85 2k50 h GLU 41 N -0.12 -0.02 0.00 3.54 4.11 -1.95 -3.27 114.58 116.87 2k50 h GLU 41 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k50 h GLU 41 Cb 1.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k50 h GLU 41 CO 0.61 -0.02 0.00 0.41 0.07 0.00 0.00 179.01 180.09 2k50 n GLY 42 N -1.03 2.21 3.23 1.06 0.00 -1.21 -0.46 105.19 108.99 2k50 n GLY 42 Ca -0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -5.06 0.86 -0.09 1.61 1.02 -1.26 -0.94 119.74 115.87 2k50 s LYS 43 Ca 0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 2k50 s LYS 43 Cb 0.00 0.36 0.03 0.00 -0.52 0.00 0.00 37.83 37.70 2k50 s LYS 43 CO 0.00 -0.28 0.29 -0.48 -0.92 0.00 0.00 175.35 173.96 2k50 s LEU 44 N -2.57 0.90 0.03 3.17 0.05 -0.44 -0.26 118.68 119.56 2k50 s LEU 44 Ca 0.01 0.47 0.02 0.00 0.05 0.00 0.00 54.13 54.68 2k50 s LEU 44 Cb 0.02 1.04 -0.02 0.00 -2.05 0.00 0.00 46.19 45.18 2k50 s LEU 44 CO -0.09 -0.18 -0.07 0.00 -0.55 0.00 0.00 176.35 175.47 2k50 s ALA 45 N -0.18 0.48 -0.30 1.48 0.00 0.70 -0.24 121.76 123.72 2k50 s ALA 45 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2k50 s ALA 45 Cb -0.03 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.17 2k50 s ALA 45 CO 0.01 -0.03 0.01 -0.80 0.00 0.00 0.00 175.76 174.96 2k50 s ASN 46 N -1.38 4.86 -0.20 0.00 0.01 -1.26 -0.30 114.94 116.67 2k50 s ASN 46 Ca -0.09 -1.12 -0.04 0.00 -0.71 0.00 0.00 52.86 50.90 2k50 s ASN 46 Cb -0.09 -1.74 -0.02 0.00 0.41 0.00 0.00 41.25 39.81 2k50 s ASN 46 CO 0.00 -0.24 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.63 2k50 s VAL 47 N 1.31 3.58 -0.44 1.60 1.01 0.02 -0.88 120.40 126.61 2k50 s VAL 47 Ca -0.03 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 2k50 s VAL 47 Cb -0.19 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2k50 s VAL 47 CO -0.01 0.43 0.62 -0.63 0.00 0.00 0.00 175.10 175.52 2k50 s ILE 48 N 1.18 4.85 -0.10 2.22 -1.09 0.10 -0.13 121.20 128.23 2k50 s ILE 48 Ca 0.02 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.43 2k50 s ILE 48 Cb -0.14 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2k50 s ILE 48 CO -0.00 -0.60 0.01 0.27 -1.23 0.00 0.00 174.94 173.39 2k50 s ILE 49 N 2.75 4.37 -0.05 2.92 -4.36 -0.08 -0.90 121.20 125.85 2k50 s ILE 49 Ca 0.21 -0.22 0.04 0.00 -0.26 0.00 0.00 60.65 60.43 2k50 s ILE 49 Cb -0.15 -2.86 -0.00 0.00 1.25 0.00 0.00 42.46 40.70 2k50 s ILE 49 CO 0.18 0.58 -0.19 0.00 0.24 0.00 0.00 174.94 175.76 2k50 s ALA 50 N -0.65 1.66 0.23 2.27 0.00 0.42 -0.36 121.76 125.33 2k50 s ALA 50 Ca 0.11 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.37 2k50 s ALA 50 Cb -0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 2k50 s ALA 50 CO 0.02 0.29 -0.07 0.34 0.00 0.00 0.00 175.76 176.34 2k50 s ASP 51 N 0.06 2.36 0.06 0.00 2.15 0.15 -1.06 116.67 120.39 2k50 s ASP 51 Ca -0.05 -1.13 0.09 0.00 0.43 0.00 0.00 52.55 51.89 2k50 s ASP 51 Cb -0.12 -0.10 0.42 0.00 -0.30 0.00 0.00 42.92 42.82 2k50 s ASP 51 CO 0.03 -0.34 1.28 0.47 -0.17 0.00 0.00 175.17 176.44 2k50 n ASP 52 N -0.44 0.13 0.01 -0.34 8.00 -1.26 -0.99 116.55 121.65 2k50 n ASP 52 Ca -0.07 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.01 2k50 n ASP 52 Cb 0.62 -0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.66 0.80 0.00 -3.53 -2.24 -1.26 -5.08 114.28 101.32 2k50 n THR 53 Ca 0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2k50 n THR 53 Cb 0.08 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 1.58 3.76 3.38 0.00 -0.16 -4.02 105.19 111.12 2k50 n GLY 54 Ca -0.11 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 2.87 -0.01 1.61 2.02 -1.26 -0.68 118.70 121.25 2k50 s GLU 55 Ca 0.00 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 2k50 s GLU 55 Cb 0.00 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2k50 s GLU 55 CO 0.00 0.58 0.09 -1.17 0.02 0.00 0.00 175.26 174.78 2k50 s LEU 56 N -2.22 1.72 -0.42 1.80 2.96 0.51 -4.10 118.68 118.92 2k50 s LEU 56 Ca 0.27 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 2k50 s LEU 56 Cb -0.12 0.43 0.04 0.00 0.50 0.00 0.00 46.19 47.04 2k50 s LEU 56 CO 0.20 -0.22 0.31 -0.60 -1.32 0.00 0.00 176.35 174.71 2k50 s ARG 57 N -0.84 2.91 -0.21 1.98 3.52 -0.06 -0.90 118.95 125.35 2k50 s ARG 57 Ca -0.09 -1.18 -0.24 0.00 -0.13 0.00 0.00 55.73 54.09 2k50 s ARG 57 Cb -0.05 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.36 2k50 s ARG 57 CO 0.00 -0.85 0.77 0.00 -0.81 0.00 0.00 175.30 174.42 2k50 s ALA 58 N 1.62 3.58 -0.44 6.12 0.00 0.81 -0.44 121.76 133.01 2k50 s ALA 58 Ca 0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 2k50 s ALA 58 Cb -0.21 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2k50 s ALA 58 CO 0.08 -0.75 0.43 0.08 0.00 0.00 0.00 175.76 175.59 2k50 s VAL 59 N 2.40 5.12 -0.52 0.00 1.01 0.52 -0.80 120.40 128.12 2k50 s VAL 59 Ca 0.34 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 2k50 s VAL 59 Cb -0.16 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2k50 s VAL 59 CO 0.10 -0.48 0.70 -0.36 0.00 0.00 0.00 175.10 175.06 2k50 s PHE 60 N 2.03 2.98 0.68 5.22 0.40 0.60 -2.41 117.98 127.48 2k50 s PHE 60 Ca 0.10 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 2k50 s PHE 60 Cb -0.19 -3.70 -0.00 0.00 0.51 0.00 0.00 43.02 39.64 2k50 s PHE 60 CO 0.12 -1.13 1.08 -1.58 0.70 0.00 0.00 175.22 174.40 2k50 s TRP 61 N 2.95 3.41 0.27 0.36 0.52 -1.26 -0.21 118.94 124.97 2k50 s TRP 61 Ca 0.18 1.13 -0.01 0.00 0.02 0.00 0.00 56.10 57.42 2k50 s TRP 61 Cb -0.18 -2.96 0.60 0.00 -1.15 0.00 0.00 33.47 29.78 2k50 s TRP 61 CO 0.13 -1.04 1.43 -2.37 0.02 0.00 0.00 176.95 175.12 2k50 n THR 62 N -2.93 -0.38 0.16 2.01 5.66 0.64 0.89 114.28 120.33 2k50 n THR 62 Ca 0.07 2.04 0.05 0.00 -3.05 0.00 0.00 64.05 63.15 2k50 n THR 62 Cb 0.56 -2.92 0.49 0.00 -1.55 0.00 0.00 70.33 66.91 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 0.16 -0.01 1.09 4.39 -1.93 -2.57 114.58 115.71 2k50 h GLU 63 Ca 0.51 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.19 2k50 h GLU 63 Cb 0.98 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2k50 h GLU 63 CO -0.89 0.23 -0.41 0.09 -1.16 0.00 0.00 179.01 176.88 2k50 n ASN 64 N -4.38 1.32 -0.15 1.42 4.13 0.26 -4.18 115.26 113.68 2k50 n ASN 64 Ca -0.01 -1.06 0.08 0.00 1.68 0.00 0.00 54.58 55.27 2k50 n ASN 64 Cb 0.19 0.32 0.41 0.00 -1.54 0.00 0.00 39.78 39.16 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 1.44 0.97 0.00 2.41 1.08 -0.80 -0.36 117.51 122.26 2k50 h ILE 65 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2k50 h ILE 65 Cb 0.59 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2k50 h ILE 65 CO 0.00 0.11 0.02 0.07 -0.69 0.00 0.00 178.15 177.67 2k50 h LYS 66 N 0.63 0.00 0.00 2.37 2.10 -1.75 -1.42 116.57 118.50 2k50 h LYS 66 Ca 0.30 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.93 2k50 h LYS 66 Cb 0.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2k50 h LYS 66 CO -0.10 0.00 -0.27 -0.07 -2.00 0.00 0.00 179.45 177.01 2k50 h LEU 67 N 0.00 0.00 -2.50 7.07 3.38 -1.35 -3.33 115.31 118.58 2k50 h LEU 67 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k50 h LEU 67 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k50 h LEU 67 CO 0.00 0.11 -0.01 -0.07 0.09 0.00 0.00 178.44 178.56 2k50 h LEU 68 N 0.00 0.00 -0.35 1.67 3.38 -1.37 -1.53 115.31 117.11 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 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k50 h LEU 68 CO 0.01 0.01 0.00 0.07 0.09 0.00 0.00 178.44 178.62 2k50 h LYS 69 N 0.00 0.00 -0.00 1.13 2.10 -1.76 -3.29 116.57 114.75 2k50 h LYS 69 Ca -0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 2k50 h LYS 69 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 2k50 h LYS 69 CO 0.00 0.00 -0.84 0.87 -2.00 0.00 0.00 179.45 177.48 2k50 h LYS 70 N 0.00 0.17 -5.23 0.07 1.57 -1.52 -3.46 116.57 108.17 2k50 h LYS 70 Ca 0.00 -0.17 -0.41 0.00 -1.87 0.00 0.00 60.65 58.20 2k50 h LYS 70 Cb 0.80 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.01 2k50 h LYS 70 CO 0.00 0.91 -0.67 -0.59 -0.57 0.00 0.00 179.45 178.53 2k50 s PHE 71 N -3.25 1.63 0.26 -1.35 -0.71 -1.24 -4.97 117.98 108.35 2k50 s PHE 71 Ca -0.03 -0.82 0.02 0.00 -1.04 0.00 0.00 56.93 55.06 2k50 s PHE 71 Cb 0.10 -0.92 -0.05 0.00 -1.21 0.00 0.00 43.02 40.95 2k50 s PHE 71 CO 0.82 0.09 0.08 1.03 -1.34 0.00 0.00 175.22 175.90 2k50 s ARG 72 N -3.80 1.42 -0.51 1.99 0.52 -1.26 -4.89 118.95 112.42 2k50 s ARG 72 Ca 0.27 -1.77 -0.26 0.00 -0.52 0.00 0.00 55.73 53.45 2k50 s ARG 72 Cb 0.04 -0.35 -0.05 0.00 0.52 0.00 0.00 34.95 35.11 2k50 s ARG 72 CO 0.08 -0.27 2.24 -2.00 0.02 0.00 0.00 175.30 175.38 2k50 s GLU 73 N -4.01 2.30 0.00 3.54 2.12 -1.26 -1.73 118.70 119.66 2k50 s GLU 73 Ca 0.37 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.91 2k50 s GLU 73 Cb 0.08 -4.52 0.00 0.00 0.26 0.00 0.00 34.13 29.95 2k50 s GLU 73 CO 0.13 -3.07 0.00 0.41 -0.54 0.00 0.00 175.26 172.19 2k50 n GLY 74 N 5.90 2.55 3.62 -1.50 0.00 -0.86 -5.00 105.19 109.90 2k50 n GLY 74 Ca 0.32 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.01 -0.03 1.61 1.01 -0.70 -4.62 116.67 114.94 2k50 s ASP 75 Ca 0.00 0.54 0.07 0.00 0.71 0.00 0.00 52.55 53.87 2k50 s ASP 75 Cb 0.00 -0.73 -0.01 0.00 1.01 0.00 0.00 42.92 43.19 2k50 s ASP 75 CO 0.00 -4.06 -0.23 -0.69 0.21 0.00 0.00 175.17 170.40 2k50 s VAL 76 N -3.11 1.87 0.03 -1.27 1.01 -1.25 0.20 120.40 117.87 2k50 s VAL 76 Ca 0.72 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2k50 s VAL 76 Cb -0.08 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2k50 s VAL 76 CO 0.56 0.53 -0.09 0.27 0.00 0.00 0.00 175.10 176.36 2k50 s ILE 77 N -0.36 0.67 -0.30 2.22 -4.36 -0.51 -0.14 121.20 118.41 2k50 s ILE 77 Ca 0.04 -0.81 -0.04 0.00 -0.26 0.00 0.00 60.65 59.58 2k50 s ILE 77 Cb -0.11 -0.65 0.03 0.00 1.25 0.00 0.00 42.46 42.98 2k50 s ILE 77 CO 0.01 -0.12 0.04 -0.60 0.24 0.00 0.00 174.94 174.50 2k50 s ARG 78 N -1.03 2.75 -0.17 0.37 3.52 0.34 -1.44 118.95 123.30 2k50 s ARG 78 Ca -0.03 -1.07 -0.16 0.00 -0.13 0.00 0.00 55.73 54.35 2k50 s ARG 78 Cb -0.07 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 2k50 s ARG 78 CO 0.00 -0.53 0.38 0.42 -0.81 0.00 0.00 175.30 174.76 2k50 s ILE 79 N 1.38 5.24 -0.15 4.11 1.01 0.11 -2.26 121.20 130.63 2k50 s ILE 79 Ca -0.01 0.70 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 2k50 s ILE 79 Cb -0.18 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2k50 s ILE 79 CO 0.00 0.32 0.46 -0.75 0.00 0.00 0.00 174.94 174.97 2k50 s LYS 80 N 0.87 4.29 -0.26 2.79 2.20 0.09 -0.40 119.74 129.31 2k50 s LYS 80 Ca 0.20 0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2k50 s LYS 80 Cb -0.14 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 2k50 s LYS 80 CO 0.07 0.08 0.03 -0.25 -0.36 0.00 0.00 175.35 174.92 2k50 n ASP 81 N 3.99 -6.96 -4.26 1.43 8.00 -1.25 -3.79 116.55 113.71 2k50 n ASP 81 Ca -0.07 1.33 -0.14 0.00 0.71 0.00 0.00 54.79 56.62 2k50 n ASP 81 Cb 0.51 -4.96 -0.10 0.00 -0.02 0.00 0.00 41.12 36.56 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 -1.44 1.15 -0.29 2.53 -7.23 -0.38 -4.42 120.40 110.33 2k50 s VAL 82 Ca -0.04 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 57.98 2k50 s VAL 82 Cb 0.00 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2k50 s VAL 82 CO 0.71 -0.71 0.16 0.20 -0.31 0.00 0.00 175.10 175.14 2k50 s ASN 83 N -3.18 5.67 -0.24 4.85 0.02 -0.63 -1.53 114.94 119.90 2k50 s ASN 83 Ca 0.18 -0.27 -0.28 0.00 -1.02 0.00 0.00 52.86 51.47 2k50 s ASN 83 Cb 0.03 -2.04 0.01 0.00 0.02 0.00 0.00 41.25 39.27 2k50 s ASN 83 CO 0.01 -0.11 0.99 -0.63 0.02 0.00 0.00 177.10 177.38 2k50 s ILE 84 N 1.68 4.71 0.00 0.60 -1.09 -0.31 -0.85 121.20 125.93 2k50 s ILE 84 Ca 0.06 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 2k50 s ILE 84 Cb -0.16 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.45 2k50 s ILE 84 CO 0.08 -0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.15 2k50 n ARG 85 N 6.28 0.00 0.00 2.79 5.12 -0.89 -0.38 116.66 129.58 2k50 n ARG 85 Ca 0.10 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 2k50 n ARG 85 Cb 0.46 -0.53 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 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 1.99 -0.95 3.62 -0.13 0.00 -1.26 -4.13 105.19 104.33 2k50 n GLY 86 Ca 0.00 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.24 -0.46 -0.02 0.00 -1.26 -4.86 107.32 101.96 2k50 s GLY 87 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 2k50 s GLY 87 CO 0.00 2.84 1.76 -0.11 0.00 0.00 0.00 173.10 177.59 2k50 s PHE 88 N 5.01 1.85 0.00 1.90 -0.71 -1.26 -3.89 117.98 120.88 2k50 s PHE 88 Ca 0.65 0.69 0.00 0.00 -1.04 0.00 0.00 56.93 57.23 2k50 s PHE 88 Cb -0.20 -4.15 0.00 0.00 -1.21 0.00 0.00 43.02 37.46 2k50 s PHE 88 CO 0.28 -2.53 0.00 0.41 -1.34 0.00 0.00 175.22 172.04 2k50 n GLY 89 N 5.48 0.45 5.00 1.99 0.00 -1.26 -4.89 105.19 111.97 2k50 n GLY 89 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.45 3.56 -0.02 0.00 -1.25 -4.85 105.19 104.07 2k50 n GLY 90 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 2.83 0.47 1.61 0.52 -1.26 -4.88 118.95 118.24 2k50 s ARG 91 Ca 0.00 -0.53 -0.08 0.00 -0.52 0.00 0.00 55.73 54.60 2k50 s ARG 91 Cb 0.00 -5.15 0.12 0.00 0.52 0.00 0.00 34.95 30.44 2k50 s ARG 91 CO 0.00 -3.08 0.35 1.63 0.02 0.00 0.00 175.30 174.22 2k50 n LYS 92 N 8.85 -2.33 -4.08 3.54 5.02 -1.25 -4.20 118.16 123.71 2k50 n LYS 92 Ca 0.38 -0.57 -0.15 0.00 -2.02 0.00 0.00 58.31 55.95 2k50 n LYS 92 Cb 0.48 -0.62 -0.14 0.00 -0.02 0.00 0.00 35.03 34.73 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 -3.81 0.33 -0.22 1.97 -1.05 -1.26 -0.88 118.70 113.77 2k50 s GLU 93 Ca 0.24 -0.12 0.01 0.00 -0.15 0.00 0.00 54.97 54.96 2k50 s GLU 93 Cb -0.03 -0.33 0.04 0.00 -0.44 0.00 0.00 34.13 33.36 2k50 s GLU 93 CO 0.19 0.06 -0.14 0.00 0.95 0.00 0.00 175.26 176.33 2k50 s ALA 94 N 0.01 2.49 -0.19 -0.84 0.00 0.41 -2.09 121.76 121.55 2k50 s ALA 94 Ca 0.00 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 2k50 s ALA 94 Cb -0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 2k50 s ALA 94 CO -0.00 -0.78 0.47 -1.01 0.00 0.00 0.00 175.76 174.44 2k50 s HIS 95 N 1.21 3.39 0.49 0.00 3.76 -0.03 -0.36 115.29 123.75 2k50 s HIS 95 Ca -0.02 0.73 -0.13 0.00 -0.15 0.00 0.00 55.06 55.49 2k50 s HIS 95 Cb -0.17 -2.61 -0.06 0.00 1.11 0.00 0.00 32.58 30.85 2k50 s HIS 95 CO -0.08 -0.04 0.90 -0.51 -0.85 0.00 0.00 174.74 174.16 2k50 s LEU 96 N 1.41 3.64 0.30 0.89 1.02 -1.01 -1.60 118.68 123.32 2k50 s LEU 96 Ca 0.22 1.35 0.09 0.00 0.02 0.00 0.00 54.13 55.82 2k50 s LEU 96 Cb -0.15 -4.29 -0.05 0.00 0.02 0.00 0.00 46.19 41.73 2k50 s LEU 96 CO 0.09 -0.56 0.02 -0.04 0.02 0.00 0.00 176.35 175.87 2k50 s MET 97 N -4.21 2.21 0.00 1.70 -1.94 -1.26 -4.72 119.30 111.08 2k50 s MET 97 Ca 0.55 -1.55 0.01 0.00 -1.71 0.00 0.00 55.69 52.99 2k50 s MET 97 Cb -0.10 -2.08 0.05 0.00 2.01 0.00 0.00 34.83 34.71 2k50 s MET 97 CO 0.36 0.25 0.94 -0.35 -0.01 0.00 0.00 175.02 176.21 2k50 n PRO 98 N -0.94 0.01 -0.00 2.03 -0.04 -1.26 -0.84 135.00 133.95 2k50 n PRO 98 Ca -0.05 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2k50 n PRO 98 Cb 0.60 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 2k50 n PRO 98 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k50 n ARG 99 N -1.40 0.33 -2.52 0.54 1.74 -1.26 -5.00 116.66 109.09 2k50 n ARG 99 Ca 0.00 -0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 2k50 n ARG 99 Cb 0.01 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 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 -3.15 7.29 0.27 0.55 0.01 -0.02 -5.01 113.70 113.64 2k50 s SER 100 Ca 0.05 2.10 0.11 0.00 1.31 0.00 0.00 55.95 59.52 2k50 s SER 100 Cb 0.15 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2k50 s SER 100 CO 0.84 -0.19 -0.15 0.42 0.41 0.00 0.00 173.24 174.56 2k50 s THR 101 N -0.37 2.72 0.04 1.44 -4.23 -1.25 -4.88 115.64 109.11 2k50 s THR 101 Ca 0.48 -2.26 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2k50 s THR 101 Cb -0.29 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 2k50 s THR 101 CO 0.35 -0.38 -0.14 0.68 -0.54 0.00 0.00 174.62 174.60 2k50 s VAL 102 N -2.41 1.10 -0.01 2.29 -7.23 -1.26 -0.73 120.40 112.15 2k50 s VAL 102 Ca 0.30 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2k50 s VAL 102 Cb -0.06 -1.01 -0.00 0.00 0.56 0.00 0.00 36.38 35.87 2k50 s VAL 102 CO 0.16 -0.03 0.06 -1.83 -0.31 0.00 0.00 175.10 173.15 2k50 s GLU 103 N -1.22 0.26 -0.20 4.82 -1.05 -0.96 -4.96 118.70 115.39 2k50 s GLU 103 Ca 0.01 -0.23 -0.25 0.00 -0.15 0.00 0.00 54.97 54.34 2k50 s GLU 103 Cb -0.08 0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.70 2k50 s GLU 103 CO 0.01 -0.05 0.84 0.14 0.95 0.00 0.00 175.26 177.15 2k50 s VAL 104 N -0.77 4.86 0.47 1.83 -7.23 -1.26 -0.50 120.40 117.80 2k50 s VAL 104 Ca -0.08 1.62 0.07 0.00 -1.81 0.00 0.00 61.98 61.77 2k50 s VAL 104 Cb -0.05 -4.13 -0.00 0.00 0.56 0.00 0.00 36.38 32.75 2k50 s VAL 104 CO 0.00 -0.02 0.33 -0.76 -0.31 0.00 0.00 175.10 174.35 2k50 s LEU 105 N 2.43 3.02 0.00 1.32 1.43 0.80 -4.58 118.68 123.10 2k50 s LEU 105 Ca 0.37 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2k50 s LEU 105 Cb -0.16 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2k50 s LEU 105 CO 0.10 -0.81 0.00 0.47 0.23 0.00 0.00 176.35 176.34 2k50 n ASP 106 N -1.55 0.00 -3.41 2.29 9.92 -1.26 -3.83 116.55 118.71 2k50 n ASP 106 Ca -0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 2k50 n ASP 106 Cb 0.64 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.02 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 0.00 0.00 -1.99 -0.24 -0.02 -1.26 -4.91 135.00 126.58 2k50 n PRO 107 Ca 0.00 -0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 60.20 2k50 n PRO 107 Cb 0.00 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 2k50 n PRO 107 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k50 s LEU 108 N 0.00 4.37 -0.07 2.45 1.98 -1.26 -4.94 118.68 121.21 2k50 s LEU 108 Ca 0.52 2.53 -0.10 0.00 -2.89 0.00 0.00 54.13 54.20 2k50 s LEU 108 Cb 0.11 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.34 2k50 s LEU 108 CO 0.27 -0.79 -0.20 -0.62 -1.89 0.00 0.00 176.35 173.12 2k50 n GLU 109 N 4.09 0.30 0.00 1.98 1.02 -1.26 -5.11 120.64 121.66 2k50 n GLU 109 Ca 0.13 0.12 0.08 0.00 -0.02 0.00 0.00 57.16 57.48 2k50 n GLU 109 Cb 0.40 -1.03 0.07 0.00 -0.02 0.00 0.00 31.44 30.86 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03