#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 4.36 0.34 0.03 -2.85 -1.26 -4.99 119.74 115.37 2k50 s LYS 2 Ca 0.00 1.37 -0.27 0.00 -1.00 0.00 0.00 55.97 56.07 2k50 s LYS 2 Cb 0.00 -2.60 -0.13 0.00 -2.06 0.00 0.00 37.83 33.05 2k50 s LYS 2 CO 0.00 0.06 1.08 -0.35 0.10 0.00 0.00 175.35 176.23 2k50 n PRO 3 N 0.11 1.54 0.01 1.78 -0.04 -1.26 -4.89 135.00 132.25 2k50 n PRO 3 Ca 0.04 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.14 2k50 n PRO 3 Cb 0.50 -2.02 0.52 0.00 -0.04 0.00 0.00 33.50 32.47 2k50 n PRO 3 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k50 h GLU 4 N 1.99 0.33 0.00 0.54 5.08 -2.02 -1.11 114.58 119.39 2k50 h GLU 4 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k50 h GLU 4 Cb 1.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k50 h GLU 4 CO 0.60 0.22 0.00 0.72 -1.00 0.00 0.00 179.01 179.55 2k50 n HIS 5 N -4.47 0.00 -3.02 4.33 8.25 -1.26 -4.65 115.22 114.39 2k50 n HIS 5 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 2k50 n HIS 5 Cb 0.26 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2k50 n HIS 5 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2k50 s ARG 6 N -2.52 3.92 -0.40 -0.41 3.52 -0.42 -5.03 118.95 117.61 2k50 s ARG 6 Ca 0.17 0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.16 2k50 s ARG 6 Cb 0.11 -3.73 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 2k50 s ARG 6 CO 0.25 -0.64 0.20 0.00 -0.81 0.00 0.00 175.30 174.30 2k50 s MET 7 N 2.80 2.26 0.50 5.12 0.23 -1.26 -4.98 119.30 123.96 2k50 s MET 7 Ca 0.29 -1.64 -0.19 0.00 -1.03 0.00 0.00 55.69 53.12 2k50 s MET 7 Cb -0.14 -3.60 -0.08 0.00 -1.53 0.00 0.00 34.83 29.47 2k50 s MET 7 CO 0.12 -0.99 1.01 -0.51 -2.03 0.00 0.00 175.02 172.63 2k50 s ASP 8 N 1.89 6.44 0.68 -1.18 1.11 -1.26 -5.08 116.67 119.28 2k50 s ASP 8 Ca 0.05 1.79 -0.04 0.00 0.18 0.00 0.00 52.55 54.53 2k50 s ASP 8 Cb -0.23 -2.54 0.08 0.00 1.07 0.00 0.00 42.92 41.30 2k50 s ASP 8 CO -0.02 -0.71 0.96 0.42 1.18 0.00 0.00 175.17 177.01 2k50 s THR 9 N -2.22 2.34 0.27 -1.27 -4.23 -1.26 -4.74 115.64 104.52 2k50 s THR 9 Ca 0.64 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2k50 s THR 9 Cb -0.13 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 71.05 2k50 s THR 9 CO 0.23 0.00 1.77 0.40 -0.54 0.00 0.00 174.62 176.48 2k50 h ILE 10 N -0.47 0.74 0.00 2.99 2.04 -1.89 0.48 117.51 121.40 2k50 h ILE 10 Ca -0.42 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 2k50 h ILE 10 Cb 1.29 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2k50 h ILE 10 CO 0.52 0.12 -0.34 -1.28 0.00 0.00 0.00 178.15 177.17 2k50 h SER 11 N 0.68 0.00 0.19 1.72 0.87 -1.91 -3.10 113.55 112.01 2k50 h SER 11 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2k50 h SER 11 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2k50 h SER 11 CO -0.36 0.34 -0.74 0.29 -0.53 0.00 0.00 176.83 175.83 2k50 n LYS 12 N -3.78 0.12 -1.67 2.24 4.76 0.97 -4.95 118.16 115.85 2k50 n LYS 12 Ca -0.01 -0.09 -0.49 0.00 -2.87 0.00 0.00 58.31 54.85 2k50 n LYS 12 Cb 0.43 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.36 3.13 -4.75 -0.35 4.77 0.13 -4.78 117.00 113.80 2k50 n LEU 13 Ca 0.05 1.03 -0.39 0.00 -0.03 0.00 0.00 56.01 56.67 2k50 n LEU 13 Cb 0.34 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2k50 n LEU 13 CO 0.38 -0.22 0.28 -0.70 -1.33 0.00 0.00 177.39 175.80 2k50 s GLU 14 N 2.81 4.33 0.22 3.23 2.12 -1.26 -5.05 118.70 125.10 2k50 s GLU 14 Ca 0.88 0.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.60 2k50 s GLU 14 Cb -0.74 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.18 2k50 s GLU 14 CO 0.48 0.28 1.30 -1.83 -0.54 0.00 0.00 175.26 174.95 2k50 s GLU 15 N 0.14 4.40 0.00 4.30 -1.05 -1.26 -2.25 118.70 122.98 2k50 s GLU 15 Ca 0.31 2.06 0.00 0.00 -0.15 0.00 0.00 54.97 57.19 2k50 s GLU 15 Cb -0.17 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 2k50 s GLU 15 CO 0.16 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.55 2k50 n GLY 16 N 2.13 0.84 3.91 -3.83 0.00 0.99 -5.01 105.19 104.21 2k50 n GLY 16 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.27 3.73 -0.34 4.61 0.00 -0.95 -4.91 121.76 120.63 2k50 s ALA 17 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 2k50 s ALA 17 Cb 0.00 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 21.00 2k50 s ALA 17 CO 0.00 0.40 0.10 -2.00 0.00 0.00 0.00 175.76 174.26 2k50 s GLU 18 N -3.27 2.55 0.01 0.00 2.12 -1.26 -1.71 118.70 117.14 2k50 s GLU 18 Ca 0.42 -1.25 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 2k50 s GLU 18 Cb -0.11 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.88 2k50 s GLU 18 CO 0.28 -0.70 0.37 -0.08 -0.54 0.00 0.00 175.26 174.60 2k50 s THR 19 N 1.36 0.06 0.48 -1.70 -1.32 -0.47 -4.92 115.64 109.12 2k50 s THR 19 Ca -0.02 -0.47 -0.21 0.00 -1.21 0.00 0.00 61.69 59.79 2k50 s THR 19 Cb -0.20 -0.82 -0.08 0.00 -1.51 0.00 0.00 72.50 69.88 2k50 s THR 19 CO 0.02 -0.26 1.04 -2.16 -2.21 0.00 0.00 174.62 171.05 2k50 s PRO 20 N -1.93 3.83 0.18 7.08 0.04 -1.26 -2.71 135.00 140.22 2k50 s PRO 20 Ca -0.09 1.39 0.07 0.00 0.04 0.00 0.00 61.00 62.42 2k50 s PRO 20 Cb -0.02 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2k50 s PRO 20 CO 0.01 -0.41 -0.15 0.14 0.04 0.00 0.00 177.00 176.63 2k50 s VAL 21 N -1.93 1.66 -0.01 -0.36 -7.23 0.38 -4.82 120.40 108.08 2k50 s VAL 21 Ca 0.66 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2k50 s VAL 21 Cb -0.17 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2k50 s VAL 21 CO 0.21 -0.51 0.04 -0.89 -0.31 0.00 0.00 175.10 173.64 2k50 s THR 22 N -2.63 0.01 -0.10 5.32 2.01 -1.26 -0.11 115.64 118.89 2k50 s THR 22 Ca 0.18 -0.10 -0.33 0.00 0.31 0.00 0.00 61.69 61.76 2k50 s THR 22 Cb -0.02 -0.09 0.14 0.00 0.01 0.00 0.00 72.50 72.53 2k50 s THR 22 CO 0.06 -0.05 1.33 -0.83 -0.69 0.00 0.00 174.62 174.44 2k50 s GLY 23 N -0.14 -0.40 -0.18 4.40 0.00 -0.68 -4.75 107.32 105.57 2k50 s GLY 23 Ca -0.02 1.04 -0.22 0.00 0.00 0.00 0.00 44.72 45.52 2k50 s GLY 23 CO 0.00 0.25 0.68 0.50 0.00 0.00 0.00 173.10 174.53 2k50 s ARG 24 N -2.26 4.26 -0.40 2.90 0.52 -0.20 -1.52 118.95 122.25 2k50 s ARG 24 Ca 0.13 0.73 -0.28 0.00 -0.52 0.00 0.00 55.73 55.79 2k50 s ARG 24 Cb 0.04 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 2k50 s ARG 24 CO -0.05 -0.22 1.84 0.08 0.02 0.00 0.00 175.30 176.98 2k50 s VAL 25 N 1.81 3.43 -0.18 3.52 1.01 0.70 -0.41 120.40 130.27 2k50 s VAL 25 Ca 0.32 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.50 2k50 s VAL 25 Cb -0.16 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 2k50 s VAL 25 CO 0.12 -0.51 0.20 -0.03 0.00 0.00 0.00 175.10 174.88 2k50 h MET 26 N 13.65 0.00 -4.87 2.72 4.05 -1.34 -2.03 114.93 127.11 2k50 h MET 26 Ca -0.31 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 58.72 2k50 h MET 26 Cb 1.17 0.00 -0.26 0.00 -0.80 0.00 0.00 31.60 31.71 2k50 h MET 26 CO 1.08 0.76 -0.77 0.15 0.23 0.00 0.00 176.91 178.35 2k50 s LYS 27 N -2.28 0.75 -0.09 0.39 -0.14 -1.07 -4.60 119.74 112.71 2k50 s LYS 27 Ca -0.23 -0.53 0.03 0.00 -1.36 0.00 0.00 55.97 53.88 2k50 s LYS 27 Cb 0.04 -0.70 0.00 0.00 -1.68 0.00 0.00 37.83 35.49 2k50 s LYS 27 CO 0.50 0.18 -0.20 0.42 -0.76 0.00 0.00 175.35 175.49 2k50 s ILE 28 N -0.61 1.73 0.01 2.17 1.01 -1.26 -0.23 121.20 124.02 2k50 s ILE 28 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2k50 s ILE 28 Cb -0.06 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2k50 s ILE 28 CO 0.00 0.49 -0.03 -0.44 0.00 0.00 0.00 174.94 174.96 2k50 s SER 29 N 0.47 4.90 0.61 3.58 0.01 -0.56 -5.01 113.70 117.70 2k50 s SER 29 Ca -0.17 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 56.82 2k50 s SER 29 Cb -0.17 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 2k50 s SER 29 CO 0.07 0.27 1.18 -0.94 0.41 0.00 0.00 173.24 174.23 2k50 s SER 30 N -1.60 5.13 0.32 2.44 1.04 -1.26 -3.99 113.70 115.79 2k50 s SER 30 Ca 0.19 2.29 -0.29 0.00 0.48 0.00 0.00 55.95 58.62 2k50 s SER 30 Cb -0.11 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.30 2k50 s SER 30 CO 0.10 -1.63 1.52 -0.81 0.98 0.00 0.00 173.24 173.41 2k50 n PRO 31 N -1.82 2.61 -3.32 4.02 -0.04 -1.26 -4.59 135.00 130.60 2k50 n PRO 31 Ca 0.13 0.92 -0.40 0.00 -0.04 0.00 0.00 63.50 64.11 2k50 n PRO 31 Cb 0.50 -2.67 -0.08 0.00 -0.04 0.00 0.00 33.50 31.21 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 -1.18 3.93 0.10 0.54 3.52 0.10 -4.83 118.95 121.13 2k50 s ARG 32 Ca 0.60 0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 56.02 2k50 s ARG 32 Cb -0.50 -3.69 -0.07 0.00 -1.56 0.00 0.00 34.95 29.13 2k50 s ARG 32 CO 0.55 -0.37 0.68 0.99 -0.81 0.00 0.00 175.30 176.34 2k50 s THR 33 N 2.19 4.61 0.03 4.11 2.01 -1.26 -1.13 115.64 126.20 2k50 s THR 33 Ca 0.17 1.47 -0.02 0.00 0.31 0.00 0.00 61.69 63.62 2k50 s THR 33 Cb -0.16 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 2k50 s THR 33 CO 0.10 0.50 0.00 0.72 -0.69 0.00 0.00 174.62 175.26 2k50 s PHE 34 N -0.87 0.32 -0.58 4.92 -0.12 0.25 -4.96 117.98 116.94 2k50 s PHE 34 Ca 0.33 -0.67 -0.24 0.00 -0.05 0.00 0.00 56.93 56.30 2k50 s PHE 34 Cb -0.21 -0.23 0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2k50 s PHE 34 CO 0.22 -0.28 0.98 0.99 -0.05 0.00 0.00 175.22 177.08 2k50 s THR 35 N -2.39 4.32 0.14 -4.49 2.01 -1.26 -4.12 115.64 109.84 2k50 s THR 35 Ca -0.07 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2k50 s THR 35 Cb -0.03 -4.59 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2k50 s THR 35 CO -0.04 -1.21 0.30 0.28 -0.69 0.00 0.00 174.62 173.26 2k50 s THR 36 N 4.14 5.29 -1.19 -0.82 -1.32 -1.26 -5.01 115.64 115.47 2k50 s THR 36 Ca 0.31 -0.45 0.29 0.00 -1.21 0.00 0.00 61.69 60.63 2k50 s THR 36 Cb -0.12 -3.70 0.32 0.00 -1.51 0.00 0.00 72.50 67.49 2k50 s THR 36 CO 0.18 -0.04 1.91 -1.14 -2.21 0.00 0.00 174.62 173.33 2k50 n ARG 37 N -0.29 0.20 0.21 7.08 0.63 -1.26 -3.25 116.66 119.98 2k50 n ARG 37 Ca -0.05 -0.03 0.15 0.00 -0.92 0.00 0.00 57.85 57.00 2k50 n ARG 37 Cb 0.53 -1.50 0.71 0.00 0.45 0.00 0.00 32.46 32.65 2k50 n ARG 37 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2k50 h LYS 38 N 0.06 0.00 0.00 -0.14 6.56 -2.02 -3.45 116.57 117.58 2k50 h LYS 38 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k50 h LYS 38 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2k50 h LYS 38 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2k50 n GLY 39 N -0.77 0.76 3.96 3.86 0.00 -1.20 -5.06 105.19 106.74 2k50 n GLY 39 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.45 3.40 0.39 1.61 0.52 -1.26 -5.01 118.95 118.14 2k50 s ARG 40 Ca 0.00 -0.63 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 2k50 s ARG 40 Cb 0.00 -2.79 0.85 0.00 0.52 0.00 0.00 34.95 33.53 2k50 s ARG 40 CO 0.00 0.26 1.97 1.05 0.02 0.00 0.00 175.30 178.60 2k50 h GLU 41 N 0.96 0.60 -3.33 3.54 4.11 -1.94 -3.39 114.58 115.14 2k50 h GLU 41 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2k50 h GLU 41 Cb 1.23 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2k50 h GLU 41 CO 0.60 0.40 -0.49 0.41 0.07 0.00 0.00 179.01 180.00 2k50 n GLY 42 N -1.47 -4.20 3.24 1.06 0.00 -1.26 -4.18 105.19 98.38 2k50 n GLY 42 Ca 0.10 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.31 0.80 -0.04 1.61 1.02 -1.26 -0.58 119.74 119.98 2k50 s LYS 43 Ca -0.02 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 2k50 s LYS 43 Cb 0.00 0.34 0.03 0.00 -0.52 0.00 0.00 37.83 37.69 2k50 s LYS 43 CO 0.04 -0.25 0.08 -0.48 -0.92 0.00 0.00 175.35 173.82 2k50 s LEU 44 N -2.13 0.74 0.03 3.17 0.05 -0.28 0.27 118.68 120.54 2k50 s LEU 44 Ca -0.04 0.16 0.08 0.00 0.05 0.00 0.00 54.13 54.37 2k50 s LEU 44 Cb -0.01 0.10 -0.03 0.00 -2.05 0.00 0.00 46.19 44.20 2k50 s LEU 44 CO -0.04 -0.16 -0.22 0.00 -0.55 0.00 0.00 176.35 175.38 2k50 s ALA 45 N 1.35 2.43 -0.33 1.48 0.00 0.47 0.00 121.76 127.15 2k50 s ALA 45 Ca -0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 2k50 s ALA 45 Cb -0.12 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.39 2k50 s ALA 45 CO -0.04 0.55 0.12 -0.80 0.00 0.00 0.00 175.76 175.59 2k50 s ASN 46 N -1.23 5.36 -0.17 0.00 0.01 -1.26 -0.19 114.94 117.46 2k50 s ASN 46 Ca 0.13 -0.96 -0.03 0.00 -0.71 0.00 0.00 52.86 51.29 2k50 s ASN 46 Cb -0.10 -1.91 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 2k50 s ASN 46 CO 0.03 -0.30 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.57 2k50 s VAL 47 N 1.47 3.43 -0.41 1.60 1.01 0.26 -1.50 120.40 126.26 2k50 s VAL 47 Ca 0.01 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 2k50 s VAL 47 Cb -0.19 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2k50 s VAL 47 CO 0.04 0.47 0.54 -0.63 0.00 0.00 0.00 175.10 175.52 2k50 s ILE 48 N 0.81 4.97 -0.02 2.22 -1.09 0.68 -0.32 121.20 128.45 2k50 s ILE 48 Ca -0.02 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 2k50 s ILE 48 Cb -0.15 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 2k50 s ILE 48 CO 0.01 -0.43 0.01 0.27 -1.23 0.00 0.00 174.94 173.57 2k50 s ILE 49 N 2.47 4.27 -0.06 2.92 -4.36 -0.51 -0.94 121.20 125.00 2k50 s ILE 49 Ca 0.18 -0.51 0.05 0.00 -0.26 0.00 0.00 60.65 60.11 2k50 s ILE 49 Cb -0.15 -2.89 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 2k50 s ILE 49 CO 0.16 0.41 -0.23 0.00 0.24 0.00 0.00 174.94 175.51 2k50 s ALA 50 N -1.07 2.24 0.30 2.27 0.00 0.45 -0.36 121.76 125.60 2k50 s ALA 50 Ca 0.19 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2k50 s ALA 50 Cb -0.12 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 2k50 s ALA 50 CO 0.09 0.42 -0.01 0.34 0.00 0.00 0.00 175.76 176.60 2k50 s ASP 51 N -0.17 2.64 0.51 0.00 2.15 -0.03 -1.03 116.67 120.74 2k50 s ASP 51 Ca -0.03 -1.27 0.24 0.00 0.43 0.00 0.00 52.55 51.91 2k50 s ASP 51 Cb -0.14 -0.14 1.34 0.00 -0.30 0.00 0.00 42.92 43.68 2k50 s ASP 51 CO 0.04 -0.46 1.98 -0.78 -0.17 0.00 0.00 175.17 175.78 2k50 h ASP 52 N 2.20 0.07 0.04 -0.34 1.82 -2.00 -1.55 116.42 116.66 2k50 h ASP 52 Ca -0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 2k50 h ASP 52 Cb 1.24 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2k50 h ASP 52 CO 0.69 0.04 -0.12 0.35 -1.61 0.00 0.00 179.24 178.59 2k50 n THR 53 N -4.39 0.00 0.00 2.25 -2.24 -1.26 -5.04 114.28 103.60 2k50 n THR 53 Ca 0.11 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2k50 n THR 53 Cb 0.60 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 1.29 2.76 3.82 3.38 0.00 -0.58 -3.80 105.19 112.05 2k50 n GLY 54 Ca 0.15 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.04 3.28 0.03 1.61 2.02 -1.26 -0.85 118.70 121.49 2k50 s GLU 55 Ca 0.00 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 54.81 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 0.74 -0.20 -1.17 0.02 0.00 0.00 175.26 174.65 2k50 s LEU 56 N -1.10 2.15 -0.49 1.80 2.96 0.52 -4.22 118.68 120.29 2k50 s LEU 56 Ca 0.16 -0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 53.42 2k50 s LEU 56 Cb -0.12 -0.92 0.07 0.00 0.50 0.00 0.00 46.19 45.72 2k50 s LEU 56 CO 0.05 0.15 0.47 -0.60 -1.32 0.00 0.00 176.35 175.10 2k50 s ARG 57 N -1.07 3.02 -0.10 1.98 3.52 -0.30 -1.42 118.95 124.58 2k50 s ARG 57 Ca 0.07 -1.25 -0.25 0.00 -0.13 0.00 0.00 55.73 54.17 2k50 s ARG 57 Cb -0.08 -4.14 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 2k50 s ARG 57 CO 0.01 -1.11 0.77 0.00 -0.81 0.00 0.00 175.30 174.16 2k50 s ALA 58 N 1.92 3.38 -0.37 6.12 0.00 0.56 -0.35 121.76 133.03 2k50 s ALA 58 Ca 0.07 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 2k50 s ALA 58 Cb -0.23 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2k50 s ALA 58 CO 0.08 -0.31 0.19 0.08 0.00 0.00 0.00 175.76 175.79 2k50 s VAL 59 N 1.31 4.45 -0.50 0.00 1.01 0.49 -0.58 120.40 126.59 2k50 s VAL 59 Ca 0.39 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2k50 s VAL 59 Cb -0.18 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2k50 s VAL 59 CO 0.17 -0.22 0.66 -0.36 0.00 0.00 0.00 175.10 175.35 2k50 s PHE 60 N 1.53 3.02 0.75 5.22 0.40 0.74 -1.99 117.98 127.64 2k50 s PHE 60 Ca 0.01 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.84 2k50 s PHE 60 Cb -0.19 -3.56 0.04 0.00 0.51 0.00 0.00 43.02 39.82 2k50 s PHE 60 CO 0.06 -1.04 1.09 -1.58 0.70 0.00 0.00 175.22 174.45 2k50 s TRP 61 N 2.81 3.08 0.32 0.36 0.52 -1.26 -0.40 118.94 124.37 2k50 s TRP 61 Ca 0.18 1.14 0.19 0.00 0.02 0.00 0.00 56.10 57.63 2k50 s TRP 61 Cb -0.17 -3.06 1.15 0.00 -1.15 0.00 0.00 33.47 30.23 2k50 s TRP 61 CO 0.14 -1.45 1.33 -2.37 0.02 0.00 0.00 176.95 174.62 2k50 n THR 62 N -3.21 -0.34 0.08 2.01 5.66 0.14 0.13 114.28 118.75 2k50 n THR 62 Ca 0.07 1.69 -0.09 0.00 -3.05 0.00 0.00 64.05 62.68 2k50 n THR 62 Cb 0.56 -2.76 0.00 0.00 -1.55 0.00 0.00 70.33 66.59 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 0.24 0.00 1.09 4.39 -1.91 -3.19 114.58 115.19 2k50 h GLU 63 Ca 0.72 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 60.18 2k50 h GLU 63 Cb 1.94 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 2k50 h GLU 63 CO -0.63 0.95 -0.25 0.09 -1.16 0.00 0.00 179.01 178.01 2k50 n ASN 64 N -3.70 0.28 -0.23 1.42 4.13 0.35 -3.83 115.26 113.67 2k50 n ASN 64 Ca -0.04 0.14 0.15 0.00 1.68 0.00 0.00 54.58 56.52 2k50 n ASN 64 Cb 0.79 -0.13 0.46 0.00 -1.54 0.00 0.00 39.78 39.35 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 0.00 0.76 0.00 2.41 1.08 -1.05 0.34 117.51 121.05 2k50 h ILE 65 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2k50 h ILE 65 Cb 0.51 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2k50 h ILE 65 CO 0.00 0.09 0.00 0.07 -0.69 0.00 0.00 178.15 177.62 2k50 h LYS 66 N 0.52 0.00 0.00 2.37 2.10 -1.77 -1.61 116.57 118.17 2k50 h LYS 66 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2k50 h LYS 66 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2k50 h LYS 66 CO -0.18 0.00 -0.06 -0.07 -2.00 0.00 0.00 179.45 177.14 2k50 h LEU 67 N 0.00 0.00 -1.68 7.07 3.38 -1.19 -3.30 115.31 119.59 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 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k50 h LEU 67 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 2k50 h LEU 68 N 0.00 0.00 -0.14 1.67 3.38 -1.39 -0.96 115.31 117.87 2k50 h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k50 h LEU 68 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2k50 h LEU 68 CO 0.00 0.00 -0.08 2.29 0.09 0.00 0.00 178.44 180.74 2k50 n LYS 69 N -2.67 0.57 0.01 1.13 2.85 -1.24 -4.13 118.16 114.67 2k50 n LYS 69 Ca -0.01 -0.14 -0.22 0.00 -1.05 0.00 0.00 58.31 56.90 2k50 n LYS 69 Cb 0.16 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.90 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 0.33 0.27 -5.96 -1.58 1.57 -1.41 -3.48 116.57 106.31 2k50 h LYS 70 Ca 0.00 -0.46 -0.61 0.00 -1.87 0.00 0.00 60.65 57.71 2k50 h LYS 70 Cb 0.33 0.17 -0.14 0.00 0.08 0.00 0.00 32.23 32.68 2k50 h LYS 70 CO 0.00 1.22 -0.70 -0.59 -0.57 0.00 0.00 179.45 178.81 2k50 s PHE 71 N -2.53 2.34 0.32 -1.35 -0.71 -1.26 -5.05 117.98 109.75 2k50 s PHE 71 Ca -0.21 -0.48 0.08 0.00 -1.04 0.00 0.00 56.93 55.29 2k50 s PHE 71 Cb 0.06 -1.28 -0.04 0.00 -1.21 0.00 0.00 43.02 40.55 2k50 s PHE 71 CO 0.77 0.59 0.12 1.03 -1.34 0.00 0.00 175.22 176.39 2k50 s ARG 72 N -3.60 2.40 -1.16 1.99 0.52 -1.26 -4.97 118.95 112.87 2k50 s ARG 72 Ca 0.32 -1.49 -0.21 0.00 -0.52 0.00 0.00 55.73 53.83 2k50 s ARG 72 Cb 0.01 -2.20 -0.07 0.00 0.52 0.00 0.00 34.95 33.21 2k50 s ARG 72 CO 0.16 0.18 1.91 -1.91 0.02 0.00 0.00 175.30 175.65 2k50 n GLU 73 N -1.10 1.91 0.00 3.54 2.13 -1.26 -2.24 120.64 123.61 2k50 n GLU 73 Ca -0.04 -2.54 0.00 0.00 0.66 0.00 0.00 57.16 55.24 2k50 n GLU 73 Cb 0.61 -3.57 0.00 0.00 0.27 0.00 0.00 31.44 28.74 2k50 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k50 n GLY 74 N 5.50 0.08 3.96 8.31 0.00 -0.76 -4.92 105.19 117.37 2k50 n GLY 74 Ca 0.46 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 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 4.21 -0.10 1.61 1.01 -0.95 -4.78 116.67 117.67 2k50 s ASP 75 Ca 0.00 -0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 2k50 s ASP 75 Cb 0.00 -0.35 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2k50 s ASP 75 CO 0.00 -1.96 -0.03 -0.69 0.21 0.00 0.00 175.17 172.69 2k50 s VAL 76 N -3.31 3.98 0.03 -1.27 1.01 -1.26 -0.22 120.40 119.37 2k50 s VAL 76 Ca 0.66 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2k50 s VAL 76 Cb -0.06 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2k50 s VAL 76 CO 0.46 0.57 -0.09 0.27 0.00 0.00 0.00 175.10 176.31 2k50 s ILE 77 N -0.46 0.66 -0.25 2.22 -4.36 -0.58 -0.13 121.20 118.30 2k50 s ILE 77 Ca 0.07 -0.91 -0.02 0.00 -0.26 0.00 0.00 60.65 59.54 2k50 s ILE 77 Cb -0.12 -0.66 0.03 0.00 1.25 0.00 0.00 42.46 42.96 2k50 s ILE 77 CO 0.02 -0.20 -0.06 -0.60 0.24 0.00 0.00 174.94 174.34 2k50 s ARG 78 N -1.22 2.78 -0.23 0.37 3.52 -0.11 -1.69 118.95 122.38 2k50 s ARG 78 Ca -0.05 -1.02 -0.14 0.00 -0.13 0.00 0.00 55.73 54.39 2k50 s ARG 78 Cb -0.08 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 2k50 s ARG 78 CO 0.01 -0.43 0.32 0.42 -0.81 0.00 0.00 175.30 174.81 2k50 s ILE 79 N 1.31 5.24 -0.10 4.11 1.01 0.85 -2.46 121.20 131.15 2k50 s ILE 79 Ca -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 60.65 61.09 2k50 s ILE 79 Cb -0.17 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2k50 s ILE 79 CO -0.04 0.25 0.16 -0.75 0.00 0.00 0.00 174.94 174.56 2k50 s LYS 80 N 1.45 3.46 -0.32 2.79 2.20 -0.86 -0.47 119.74 128.00 2k50 s LYS 80 Ca 0.15 -0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 2k50 s LYS 80 Cb -0.15 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2k50 s LYS 80 CO 0.08 0.76 0.43 -0.25 -0.36 0.00 0.00 175.35 176.01 2k50 n ASP 81 N 1.84 -6.26 -4.13 1.43 8.00 -1.26 -3.93 116.55 112.24 2k50 n ASP 81 Ca -0.19 0.37 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 2k50 n ASP 81 Cb 0.55 -4.15 -0.10 0.00 -0.02 0.00 0.00 41.12 37.40 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 -2.19 0.58 -0.24 2.53 -7.23 -1.10 -4.00 120.40 108.75 2k50 s VAL 82 Ca 0.17 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 2k50 s VAL 82 Cb -0.05 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2k50 s VAL 82 CO 0.55 -0.78 0.07 0.20 -0.31 0.00 0.00 175.10 174.83 2k50 s ASN 83 N -2.67 5.23 -0.27 4.85 0.02 -0.48 -1.37 114.94 120.24 2k50 s ASN 83 Ca 0.06 -0.16 -0.27 0.00 -1.02 0.00 0.00 52.86 51.47 2k50 s ASN 83 Cb 0.02 -1.93 0.01 0.00 0.02 0.00 0.00 41.25 39.36 2k50 s ASN 83 CO -0.04 -0.00 0.98 -0.63 0.02 0.00 0.00 177.10 177.42 2k50 s ILE 84 N 1.43 4.68 -0.06 0.60 -1.09 -0.69 -0.95 121.20 125.12 2k50 s ILE 84 Ca 0.05 1.76 -0.05 0.00 -2.23 0.00 0.00 60.65 60.18 2k50 s ILE 84 Cb -0.15 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 2k50 s ILE 84 CO 0.04 -0.25 -0.10 0.54 -1.23 0.00 0.00 174.94 173.94 2k50 n ARG 85 N 6.39 0.17 -0.71 2.79 5.12 -0.36 -0.01 116.66 130.06 2k50 n ARG 85 Ca 0.10 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 2k50 n ARG 85 Cb 0.47 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 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 1.58 0.28 1.31 -0.13 0.00 -1.25 -4.49 105.19 102.48 2k50 n GLY 86 Ca -0.04 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.46 2.20 3.56 -0.02 0.00 -1.26 -4.88 105.19 104.33 2k50 n GLY 87 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.96 -0.70 -1.14 1.61 5.36 -1.26 -5.08 117.98 114.80 2k50 s PHE 88 Ca 0.36 1.46 -0.24 0.00 -0.96 0.00 0.00 56.93 57.55 2k50 s PHE 88 Cb 0.25 0.34 -0.12 0.00 -0.34 0.00 0.00 43.02 43.15 2k50 s PHE 88 CO 0.14 -0.50 1.99 0.20 -1.46 0.00 0.00 175.22 175.59 2k50 s GLY 89 N -0.50 -0.19 0.00 13.12 0.00 -1.26 -4.25 107.32 114.24 2k50 s GLY 89 Ca -0.06 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.73 2k50 s GLY 89 CO 0.06 3.76 0.00 0.61 0.00 0.00 0.00 173.10 177.53 2k50 n GLY 90 N 5.96 0.52 3.55 0.20 0.00 -1.26 -5.05 105.19 109.11 2k50 n GLY 90 Ca 0.44 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 2.72 0.33 1.61 0.52 -1.26 -4.98 118.95 117.89 2k50 s ARG 91 Ca 0.00 0.22 -0.06 0.00 -0.52 0.00 0.00 55.73 55.37 2k50 s ARG 91 Cb 0.00 -4.56 0.08 0.00 0.52 0.00 0.00 34.95 30.99 2k50 s ARG 91 CO 0.00 -2.79 0.34 1.63 0.02 0.00 0.00 175.30 174.50 2k50 n LYS 92 N 9.12 -1.21 -3.90 3.54 5.02 -1.26 -4.46 118.16 125.01 2k50 n LYS 92 Ca 0.23 -0.53 -0.11 0.00 -2.02 0.00 0.00 58.31 55.88 2k50 n LYS 92 Cb 0.50 -0.45 -0.11 0.00 -0.02 0.00 0.00 35.03 34.96 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 -3.76 0.31 -0.17 1.97 -1.05 -1.26 -1.15 118.70 113.60 2k50 s GLU 93 Ca 0.21 -0.34 0.01 0.00 -0.15 0.00 0.00 54.97 54.70 2k50 s GLU 93 Cb -0.02 0.12 0.03 0.00 -0.44 0.00 0.00 34.13 33.83 2k50 s GLU 93 CO 0.16 -0.06 -0.14 0.00 0.95 0.00 0.00 175.26 176.17 2k50 s ALA 94 N -1.01 1.95 -0.18 -0.84 0.00 0.53 -1.23 121.76 120.98 2k50 s ALA 94 Ca -0.11 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 2k50 s ALA 94 Cb -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2k50 s ALA 94 CO 0.00 -0.50 0.47 -1.01 0.00 0.00 0.00 175.76 174.72 2k50 s HIS 95 N 1.44 3.42 0.59 0.00 3.76 -0.12 -0.38 115.29 123.99 2k50 s HIS 95 Ca 0.03 0.76 -0.07 0.00 -0.15 0.00 0.00 55.06 55.63 2k50 s HIS 95 Cb -0.14 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 30.95 2k50 s HIS 95 CO -0.10 0.01 0.92 -0.51 -0.85 0.00 0.00 174.74 174.21 2k50 s LEU 96 N 1.23 3.28 0.30 0.89 1.02 -0.84 -1.39 118.68 123.16 2k50 s LEU 96 Ca 0.23 0.94 0.10 0.00 0.02 0.00 0.00 54.13 55.43 2k50 s LEU 96 Cb -0.15 -3.83 -0.06 0.00 0.02 0.00 0.00 46.19 42.17 2k50 s LEU 96 CO 0.09 -0.96 -0.14 -0.04 0.02 0.00 0.00 176.35 175.32 2k50 s MET 97 N -5.02 1.69 0.33 1.70 -1.94 -1.26 -4.67 119.30 110.14 2k50 s MET 97 Ca 0.53 -1.82 0.12 0.00 -1.71 0.00 0.00 55.69 52.81 2k50 s MET 97 Cb -0.11 -1.64 0.97 0.00 2.01 0.00 0.00 34.83 36.06 2k50 s MET 97 CO 0.47 0.22 1.71 -1.35 -0.01 0.00 0.00 175.02 176.07 2k50 h PRO 98 N 2.20 0.48 -0.06 2.03 0.11 -1.95 0.47 132.00 135.28 2k50 h PRO 98 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k50 h PRO 98 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k50 h PRO 98 CO 0.65 0.32 0.00 0.54 -0.21 0.00 0.00 178.00 179.29 2k50 n ARG 99 N -4.90 1.55 -2.52 1.05 1.74 -1.26 -4.85 116.66 107.47 2k50 n ARG 99 Ca 0.28 -0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 56.13 2k50 n ARG 99 Cb 0.83 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.83 7.09 0.23 0.55 0.01 0.15 -5.00 113.70 114.89 2k50 s SER 100 Ca 0.37 1.73 0.08 0.00 1.31 0.00 0.00 55.95 59.43 2k50 s SER 100 Cb 0.19 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2k50 s SER 100 CO 0.31 -0.57 0.06 0.42 0.41 0.00 0.00 173.24 173.87 2k50 s THR 101 N 2.28 3.86 -0.02 1.44 -4.23 -1.25 -4.87 115.64 112.84 2k50 s THR 101 Ca 0.54 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.54 2k50 s THR 101 Cb -0.23 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 2k50 s THR 101 CO 0.20 -0.26 -0.21 0.68 -0.54 0.00 0.00 174.62 174.49 2k50 s VAL 102 N -2.04 1.62 0.01 2.29 -7.23 -1.26 -2.02 120.40 111.77 2k50 s VAL 102 Ca 0.30 -0.88 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 2k50 s VAL 102 Cb -0.08 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 2k50 s VAL 102 CO 0.21 0.46 -0.17 -1.83 -0.31 0.00 0.00 175.10 173.46 2k50 s GLU 103 N -0.45 1.26 -0.28 4.82 -1.05 -1.03 -4.96 118.70 117.01 2k50 s GLU 103 Ca 0.07 -0.71 -0.23 0.00 -0.15 0.00 0.00 54.97 53.95 2k50 s GLU 103 Cb -0.08 -1.27 -0.00 0.00 -0.44 0.00 0.00 34.13 32.34 2k50 s GLU 103 CO -0.01 0.33 0.76 0.14 0.95 0.00 0.00 175.26 177.44 2k50 s VAL 104 N -0.58 4.84 0.00 1.83 -7.23 -1.26 -0.93 120.40 117.07 2k50 s VAL 104 Ca 0.06 1.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.48 2k50 s VAL 104 Cb -0.07 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.77 2k50 s VAL 104 CO 0.00 -0.15 0.00 0.18 -0.31 0.00 0.00 175.10 174.82 2k50 n LEU 105 N 6.05 0.00 0.00 1.32 4.77 0.81 -4.49 117.00 125.46 2k50 n LEU 105 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2k50 n LEU 105 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2k50 n LEU 105 CO 0.48 -0.08 0.00 -0.67 -1.33 0.00 0.00 177.39 175.79 2k50 n ASP 106 N -0.69 0.00 -4.57 -1.43 2.03 -1.26 -4.24 116.55 106.39 2k50 n ASP 106 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2k50 n ASP 106 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2k50 s PRO 107 N 0.00 3.63 0.02 -0.67 0.02 -1.26 -4.99 135.00 131.75 2k50 s PRO 107 Ca 0.00 -1.44 -0.35 0.00 0.02 0.00 0.00 61.00 59.23 2k50 s PRO 107 Cb 0.00 -5.41 -0.14 0.00 0.02 0.00 0.00 34.50 28.97 2k50 s PRO 107 CO 0.00 -2.40 1.64 -0.11 -0.33 0.00 0.00 177.00 175.79 2k50 n LEU 108 N 9.31 2.82 0.07 -5.54 -0.00 -1.26 -4.93 117.00 117.48 2k50 n LEU 108 Ca 0.41 1.06 -0.04 0.00 -0.00 0.00 0.00 56.01 57.44 2k50 n LEU 108 Cb 0.48 -1.33 -0.02 0.00 -0.00 0.00 0.00 43.42 42.56 2k50 n LEU 108 CO 0.70 -0.39 0.13 -0.33 -0.00 0.00 0.00 177.39 177.51 2k50 h GLU 109 N 6.75 -0.24 -0.02 1.96 5.08 -1.95 -3.52 114.58 122.64 2k50 h GLU 109 Ca -0.47 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k50 h GLU 109 Cb 1.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2k50 h GLU 109 CO 0.89 -0.16 0.00 0.72 -1.00 0.00 0.00 179.01 179.46