#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k50 s LYS 2 N 0.00 1.63 -0.82 3.17 1.02 -1.26 -5.05 119.74 118.44 2k50 s LYS 2 Ca 0.00 -1.73 -0.22 0.00 0.02 0.00 0.00 55.97 54.04 2k50 s LYS 2 Cb 0.00 -1.70 -0.19 0.00 -0.52 0.00 0.00 37.83 35.41 2k50 s LYS 2 CO 0.00 0.32 2.37 -2.30 -0.92 0.00 0.00 175.35 174.82 2k50 n PRO 3 N -0.54 0.43 -3.00 -1.68 -0.02 -1.26 -4.89 135.00 124.04 2k50 n PRO 3 Ca -0.06 -0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 60.57 2k50 n PRO 3 Cb 0.60 -2.75 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 2k50 n PRO 3 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2k50 s GLU 4 N 8.32 3.30 -0.24 -0.52 -1.05 -1.26 -5.01 118.70 122.24 2k50 s GLU 4 Ca 1.08 -0.37 -0.04 0.00 -0.15 0.00 0.00 54.97 55.49 2k50 s GLU 4 Cb -0.43 -4.01 0.09 0.00 -0.44 0.00 0.00 34.13 29.34 2k50 s GLU 4 CO 0.28 -1.21 0.13 -3.38 0.95 0.00 0.00 175.26 172.02 2k50 s HIS 5 N 3.22 0.21 0.33 4.83 -3.43 -1.26 -5.14 115.29 114.06 2k50 s HIS 5 Ca 0.25 -0.60 0.02 0.00 -0.80 0.00 0.00 55.06 53.93 2k50 s HIS 5 Cb -0.14 -0.78 -0.01 0.00 -1.43 0.00 0.00 32.58 30.22 2k50 s HIS 5 CO 0.19 -0.71 0.40 0.54 -2.00 0.00 0.00 174.74 173.15 2k50 n ARG 6 N 5.27 0.57 -3.11 -0.38 5.12 -1.26 -5.15 116.66 117.71 2k50 n ARG 6 Ca -0.06 -2.94 -0.39 0.00 -1.93 0.00 0.00 57.85 52.52 2k50 n ARG 6 Cb 0.45 2.65 -0.05 0.00 -1.16 0.00 0.00 32.46 34.34 2k50 n ARG 6 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2k50 s MET 7 N -3.00 4.39 -0.03 5.56 -1.94 -1.26 -5.04 119.30 117.99 2k50 s MET 7 Ca 0.33 0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 54.88 2k50 s MET 7 Cb 0.00 -3.35 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 2k50 s MET 7 CO 0.23 0.33 1.14 0.16 -0.01 0.00 0.00 175.02 176.88 2k50 s ASP 8 N -0.14 7.13 0.14 3.03 -4.77 -1.26 -4.98 116.67 115.82 2k50 s ASP 8 Ca 0.34 1.79 0.03 0.00 -3.30 0.00 0.00 52.55 51.41 2k50 s ASP 8 Cb -0.19 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.03 2k50 s ASP 8 CO 0.20 -0.49 -0.06 0.42 0.70 0.00 0.00 175.17 175.94 2k50 s THR 9 N 1.76 0.86 0.29 2.11 -4.23 -1.26 -4.77 115.64 110.40 2k50 s THR 9 Ca 0.55 -1.99 0.32 0.00 -1.18 0.00 0.00 61.69 59.38 2k50 s THR 9 Cb -0.24 -1.88 0.34 0.00 1.34 0.00 0.00 72.50 72.06 2k50 s THR 9 CO 0.24 -0.70 2.04 0.40 -0.54 0.00 0.00 174.62 176.06 2k50 h ILE 10 N 2.81 0.26 0.00 2.99 2.04 -1.85 0.61 117.51 124.37 2k50 h ILE 10 Ca -0.36 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2k50 h ILE 10 Cb 1.19 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2k50 h ILE 10 CO 0.64 0.07 0.00 -0.24 0.00 0.00 0.00 178.15 178.62 2k50 n SER 11 N -3.30 0.00 -0.07 1.72 2.88 -1.25 -3.09 113.62 110.51 2k50 n SER 11 Ca -0.01 0.49 0.07 0.00 -1.33 0.00 0.00 58.87 58.09 2k50 n SER 11 Cb 0.27 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.17 2k50 n SER 11 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k50 n LYS 12 N -1.50 2.13 -2.14 -1.46 4.76 0.13 -4.92 118.16 115.16 2k50 n LYS 12 Ca 0.06 -0.16 -0.35 0.00 -2.87 0.00 0.00 58.31 54.99 2k50 n LYS 12 Cb 0.30 -1.20 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 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 -2.54 3.25 -0.07 -0.35 1.43 -0.71 -4.90 118.68 114.78 2k50 s LEU 13 Ca 0.07 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 2k50 s LEU 13 Cb 0.11 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 2k50 s LEU 13 CO 0.55 -2.36 0.48 -0.70 0.23 0.00 0.00 176.35 174.55 2k50 s GLU 14 N 6.73 4.25 -0.04 1.70 2.12 -1.26 -5.04 118.70 127.16 2k50 s GLU 14 Ca 0.63 0.48 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 2k50 s GLU 14 Cb -0.09 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 2k50 s GLU 14 CO 0.11 0.30 1.55 -1.83 -0.54 0.00 0.00 175.26 174.86 2k50 s GLU 15 N 0.13 4.21 0.00 4.30 -1.05 -1.26 -1.53 118.70 123.51 2k50 s GLU 15 Ca 0.26 2.09 0.00 0.00 -0.15 0.00 0.00 54.97 57.17 2k50 s GLU 15 Cb -0.16 -3.83 0.00 0.00 -0.44 0.00 0.00 34.13 29.71 2k50 s GLU 15 CO 0.12 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 175.98 2k50 n GLY 16 N 3.94 1.15 3.85 -3.83 0.00 0.35 -5.00 105.19 105.65 2k50 n GLY 16 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.07 3.72 -0.43 4.61 0.00 -0.58 -4.93 121.76 122.09 2k50 s ALA 17 Ca 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 2k50 s ALA 17 Cb 0.00 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.84 2k50 s ALA 17 CO 0.00 0.52 0.37 -2.00 0.00 0.00 0.00 175.76 174.65 2k50 s GLU 18 N -1.37 3.01 0.05 0.00 2.12 -1.26 -2.35 118.70 118.89 2k50 s GLU 18 Ca 0.26 -1.00 -0.17 0.00 0.36 0.00 0.00 54.97 54.42 2k50 s GLU 18 Cb -0.15 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.26 2k50 s GLU 18 CO 0.14 -0.84 0.38 -0.08 -0.54 0.00 0.00 175.26 174.32 2k50 s THR 19 N 1.83 0.06 0.63 -1.70 -1.32 -0.57 -4.89 115.64 109.69 2k50 s THR 19 Ca 0.07 -0.52 -0.18 0.00 -1.21 0.00 0.00 61.69 59.85 2k50 s THR 19 Cb -0.19 -0.96 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 2k50 s THR 19 CO 0.10 -0.29 1.21 -2.84 -2.21 0.00 0.00 174.62 170.59 2k50 s PRO 20 N -2.56 2.75 0.19 7.08 0.02 -1.26 -2.38 135.00 138.84 2k50 s PRO 20 Ca -0.05 1.80 0.09 0.00 0.02 0.00 0.00 61.00 62.86 2k50 s PRO 20 Cb -0.01 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 2k50 s PRO 20 CO -0.03 -1.37 -0.18 0.14 -0.33 0.00 0.00 177.00 175.23 2k50 s VAL 21 N -1.72 1.90 0.02 3.83 -7.23 0.88 -4.83 120.40 113.24 2k50 s VAL 21 Ca 0.76 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 2k50 s VAL 21 Cb -0.30 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2k50 s VAL 21 CO 0.37 -0.39 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.81 2k50 s THR 22 N -2.33 0.45 0.00 5.32 2.01 -1.26 0.14 115.64 119.97 2k50 s THR 22 Ca 0.19 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2k50 s THR 22 Cb -0.04 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.99 2k50 s THR 22 CO 0.08 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2k50 n GLY 23 N 2.08 2.19 3.73 4.40 0.00 -0.82 -4.63 105.19 112.14 2k50 n GLY 23 Ca -0.19 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 4.72 -0.41 1.61 0.52 0.21 -2.21 118.95 121.39 2k50 s ARG 24 Ca 0.00 1.48 -0.28 0.00 -0.52 0.00 0.00 55.73 56.41 2k50 s ARG 24 Cb 0.00 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 2k50 s ARG 24 CO 0.00 0.27 1.84 0.08 0.02 0.00 0.00 175.30 177.51 2k50 s VAL 25 N -0.25 3.42 -0.20 3.52 1.01 0.50 -0.27 120.40 128.14 2k50 s VAL 25 Ca 0.46 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 2k50 s VAL 25 Cb -0.24 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2k50 s VAL 25 CO 0.31 -0.52 -0.25 0.80 0.00 0.00 0.00 175.10 175.43 2k50 n MET 26 N 8.65 0.53 -4.44 2.72 1.56 -0.80 -2.33 117.12 123.00 2k50 n MET 26 Ca 0.23 0.34 -0.20 0.00 -0.27 0.00 0.00 57.70 57.80 2k50 n MET 26 Cb 0.49 -1.54 -0.15 0.00 2.15 0.00 0.00 33.22 34.17 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 -2.61 0.86 -0.11 2.12 -0.14 -0.91 -4.71 119.74 114.25 2k50 s LYS 27 Ca -0.28 -0.37 0.03 0.00 -1.36 0.00 0.00 55.97 54.00 2k50 s LYS 27 Cb 0.06 -0.82 0.00 0.00 -1.68 0.00 0.00 37.83 35.39 2k50 s LYS 27 CO 0.41 0.22 -0.23 0.42 -0.76 0.00 0.00 175.35 175.41 2k50 s ILE 28 N -0.21 2.00 -0.15 2.17 1.01 -1.26 -0.11 121.20 124.64 2k50 s ILE 28 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2k50 s ILE 28 Cb -0.04 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2k50 s ILE 28 CO -0.00 0.54 0.24 -0.44 0.00 0.00 0.00 174.94 175.28 2k50 s SER 29 N 0.49 6.40 0.56 3.58 0.01 0.36 -5.01 113.70 120.10 2k50 s SER 29 Ca -0.15 0.47 -0.20 0.00 1.31 0.00 0.00 55.95 57.38 2k50 s SER 29 Cb -0.17 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.85 2k50 s SER 29 CO 0.06 0.18 1.06 -1.20 0.41 0.00 0.00 173.24 173.75 2k50 n SER 30 N 3.20 1.29 -4.74 2.44 7.64 -1.26 -3.51 113.62 118.67 2k50 n SER 30 Ca -0.14 0.88 -0.42 0.00 1.01 0.00 0.00 58.87 60.20 2k50 n SER 30 Cb 0.52 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.27 2k50 n SER 30 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k50 s PRO 31 N -2.69 4.16 -0.26 1.43 0.04 -1.26 -4.61 135.00 131.81 2k50 s PRO 31 Ca 0.73 2.51 -0.16 0.00 0.04 0.00 0.00 61.00 64.12 2k50 s PRO 31 Cb -0.44 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 2k50 s PRO 31 CO 0.49 -0.61 0.44 0.50 0.04 0.00 0.00 177.00 177.85 2k50 s ARG 32 N -0.01 4.06 -0.21 4.56 3.52 0.10 -4.82 118.95 126.15 2k50 s ARG 32 Ca 0.65 0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 56.17 2k50 s ARG 32 Cb -0.47 -3.64 -0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2k50 s ARG 32 CO 0.43 -0.28 0.92 0.99 -0.81 0.00 0.00 175.30 176.55 2k50 s THR 33 N 2.07 4.79 0.16 4.11 2.01 -1.26 -1.68 115.64 125.84 2k50 s THR 33 Ca 0.18 1.78 0.10 0.00 0.31 0.00 0.00 61.69 64.06 2k50 s THR 33 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2k50 s THR 33 CO 0.09 -0.08 -0.21 0.72 -0.69 0.00 0.00 174.62 174.45 2k50 s PHE 34 N 2.73 2.01 -0.19 4.92 -0.12 -0.04 -4.95 117.98 122.35 2k50 s PHE 34 Ca 0.40 -0.42 -0.25 0.00 -0.05 0.00 0.00 56.93 56.62 2k50 s PHE 34 Cb -0.16 -1.03 -0.01 0.00 -0.63 0.00 0.00 43.02 41.19 2k50 s PHE 34 CO 0.09 0.36 0.81 0.99 -0.05 0.00 0.00 175.22 177.42 2k50 s THR 35 N -1.67 4.89 0.39 -4.49 2.01 -1.26 -3.71 115.64 111.80 2k50 s THR 35 Ca 0.15 1.58 0.08 0.00 0.31 0.00 0.00 61.69 63.81 2k50 s THR 35 Cb -0.08 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 2k50 s THR 35 CO 0.07 0.02 0.30 0.28 -0.69 0.00 0.00 174.62 174.60 2k50 s THR 36 N 2.26 2.81 -2.22 -0.82 -1.32 -1.26 -5.05 115.64 110.03 2k50 s THR 36 Ca 0.37 -1.45 0.21 0.00 -1.21 0.00 0.00 61.69 59.61 2k50 s THR 36 Cb -0.16 -3.03 0.39 0.00 -1.51 0.00 0.00 72.50 68.19 2k50 s THR 36 CO 0.11 -0.06 1.34 0.54 -2.21 0.00 0.00 174.62 174.35 2k50 n ARG 37 N -1.41 2.39 -0.10 7.08 3.00 -1.26 -4.52 116.66 121.83 2k50 n ARG 37 Ca 0.01 -2.19 -0.17 0.00 -0.01 0.00 0.00 57.85 55.48 2k50 n ARG 37 Cb 0.62 -1.47 -0.08 0.00 0.00 0.00 0.00 32.46 31.52 2k50 n ARG 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2k50 n LYS 38 N 1.34 0.53 0.00 5.56 4.81 -1.26 -5.04 118.16 124.11 2k50 n LYS 38 Ca 0.18 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2k50 n LYS 38 Cb 0.57 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.91 2k50 n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k50 n GLY 39 N 1.47 0.00 3.90 3.14 0.00 -1.26 -5.16 105.19 107.28 2k50 n GLY 39 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 3.45 0.50 1.61 0.52 -1.26 -4.99 118.95 118.78 2k50 s ARG 40 Ca 0.00 0.28 0.29 0.00 -0.52 0.00 0.00 55.73 55.78 2k50 s ARG 40 Cb 0.00 -2.30 1.21 0.00 0.52 0.00 0.00 34.95 34.39 2k50 s ARG 40 CO 0.00 -0.37 1.94 1.05 0.02 0.00 0.00 175.30 177.94 2k50 h GLU 41 N 0.04 0.00 -1.64 3.54 4.11 -1.97 -3.39 114.58 115.28 2k50 h GLU 41 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2k50 h GLU 41 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k50 h GLU 41 CO 0.62 0.11 -0.26 0.41 0.07 0.00 0.00 179.01 179.95 2k50 n GLY 42 N -0.03 -4.02 3.28 1.06 0.00 -1.24 -3.87 105.19 100.37 2k50 n GLY 42 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.75 0.79 -0.05 1.61 1.02 -1.26 -0.86 119.74 118.25 2k50 s LYS 43 Ca 0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 2k50 s LYS 43 Cb 0.00 0.35 0.02 0.00 -0.52 0.00 0.00 37.83 37.68 2k50 s LYS 43 CO 0.00 -0.25 0.12 -0.48 -0.92 0.00 0.00 175.35 173.82 2k50 s LEU 44 N -1.73 1.33 -0.07 3.17 0.05 -0.68 0.43 118.68 121.17 2k50 s LEU 44 Ca -0.09 0.24 0.05 0.00 0.05 0.00 0.00 54.13 54.39 2k50 s LEU 44 Cb -0.02 0.37 -0.01 0.00 -2.05 0.00 0.00 46.19 44.48 2k50 s LEU 44 CO 0.00 -0.07 -0.23 0.00 -0.55 0.00 0.00 176.35 175.50 2k50 s ALA 45 N 0.38 2.23 -0.39 1.48 0.00 0.34 0.00 121.76 125.80 2k50 s ALA 45 Ca -0.03 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 2k50 s ALA 45 Cb -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2k50 s ALA 45 CO -0.02 0.38 0.31 -0.80 0.00 0.00 0.00 175.76 175.63 2k50 s ASN 46 N -0.04 6.11 -0.22 0.00 0.01 -1.23 -0.39 114.94 119.18 2k50 s ASN 46 Ca -0.07 -0.74 -0.06 0.00 -0.71 0.00 0.00 52.86 51.28 2k50 s ASN 46 Cb -0.15 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 2k50 s ASN 46 CO 0.05 -0.41 0.02 -0.69 -1.51 0.00 0.00 177.10 174.56 2k50 s VAL 47 N 1.76 4.02 -0.42 1.60 1.01 0.07 -0.49 120.40 127.96 2k50 s VAL 47 Ca 0.06 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 2k50 s VAL 47 Cb -0.18 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2k50 s VAL 47 CO 0.11 0.39 0.56 -0.63 0.00 0.00 0.00 175.10 175.53 2k50 s ILE 48 N 1.31 4.94 -0.02 2.22 -1.09 0.84 -0.57 121.20 128.83 2k50 s ILE 48 Ca 0.04 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2k50 s ILE 48 Cb -0.15 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2k50 s ILE 48 CO 0.02 -0.47 0.03 0.27 -1.23 0.00 0.00 174.94 173.56 2k50 s ILE 49 N 2.55 4.42 -0.14 2.92 -4.36 -0.39 -1.90 121.20 124.30 2k50 s ILE 49 Ca 0.19 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 60.15 2k50 s ILE 49 Cb -0.15 -2.97 0.01 0.00 1.25 0.00 0.00 42.46 40.59 2k50 s ILE 49 CO 0.16 0.41 -0.21 0.00 0.24 0.00 0.00 174.94 175.54 2k50 s ALA 50 N -1.09 2.27 0.36 2.27 0.00 0.63 -0.45 121.76 125.74 2k50 s ALA 50 Ca 0.20 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 51.15 2k50 s ALA 50 Cb -0.12 -1.02 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 2k50 s ALA 50 CO 0.10 -0.04 -0.06 0.34 0.00 0.00 0.00 175.76 176.10 2k50 s ASP 51 N 0.83 3.81 0.66 0.00 2.15 0.40 -0.62 116.67 123.90 2k50 s ASP 51 Ca -0.06 -1.23 0.40 0.00 0.43 0.00 0.00 52.55 52.09 2k50 s ASP 51 Cb -0.15 -0.38 2.22 0.00 -0.30 0.00 0.00 42.92 44.31 2k50 s ASP 51 CO -0.02 -0.27 2.27 0.44 -0.17 0.00 0.00 175.17 177.42 2k50 h ASP 52 N 1.93 0.00 -0.49 -0.34 5.19 -2.00 -1.33 116.42 119.38 2k50 h ASP 52 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2k50 h ASP 52 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2k50 h ASP 52 CO 0.73 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 177.20 2k50 n THR 53 N -3.13 0.78 0.00 0.35 -2.24 -1.26 -5.06 114.28 103.72 2k50 n THR 53 Ca -0.03 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2k50 n THR 53 Cb 0.14 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.27 3.17 3.89 3.38 0.00 -0.50 -3.93 105.19 112.47 2k50 n GLY 54 Ca 0.19 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 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 3.17 0.03 1.61 8.01 -1.26 -0.45 118.70 127.77 2k50 s GLU 55 Ca 0.00 -0.87 -0.01 0.00 0.01 0.00 0.00 54.97 54.10 2k50 s GLU 55 Cb 0.00 -2.74 -0.02 0.00 -4.31 0.00 0.00 34.13 27.05 2k50 s GLU 55 CO 0.00 0.44 -0.02 -1.17 0.01 0.00 0.00 175.26 174.52 2k50 s LEU 56 N -3.73 2.25 -0.35 1.80 2.96 0.40 -4.64 118.68 117.36 2k50 s LEU 56 Ca 0.33 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 2k50 s LEU 56 Cb -0.09 0.18 0.03 0.00 0.50 0.00 0.00 46.19 46.81 2k50 s LEU 56 CO 0.27 -0.39 0.16 -0.60 -1.32 0.00 0.00 176.35 174.47 2k50 s ARG 57 N -2.12 2.78 -0.06 1.98 3.52 -0.81 -1.26 118.95 122.99 2k50 s ARG 57 Ca -0.10 -1.09 -0.14 0.00 -0.13 0.00 0.00 55.73 54.27 2k50 s ARG 57 Cb -0.05 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 2k50 s ARG 57 CO -0.03 -0.66 0.37 0.00 -0.81 0.00 0.00 175.30 174.17 2k50 s ALA 58 N 1.50 3.66 -0.35 6.12 0.00 0.27 -0.59 121.76 132.36 2k50 s ALA 58 Ca 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 2k50 s ALA 58 Cb -0.19 -2.39 0.05 0.00 0.00 0.00 0.00 23.12 20.59 2k50 s ALA 58 CO 0.05 0.36 0.12 0.08 0.00 0.00 0.00 175.76 176.37 2k50 s VAL 59 N -0.56 3.70 -0.53 0.00 1.01 0.32 -0.75 120.40 123.59 2k50 s VAL 59 Ca 0.22 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.73 2k50 s VAL 59 Cb -0.15 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.13 2k50 s VAL 59 CO 0.10 -0.25 0.70 -0.36 0.00 0.00 0.00 175.10 175.29 2k50 s PHE 60 N 1.36 2.99 0.77 5.22 0.40 0.47 -2.18 117.98 127.01 2k50 s PHE 60 Ca -0.01 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 2k50 s PHE 60 Cb -0.20 -3.69 0.05 0.00 0.51 0.00 0.00 43.02 39.69 2k50 s PHE 60 CO 0.02 -1.13 1.08 -1.58 0.70 0.00 0.00 175.22 174.31 2k50 s TRP 61 N 2.90 2.75 0.36 0.36 0.52 -1.26 -0.51 118.94 124.07 2k50 s TRP 61 Ca 0.18 1.43 0.24 0.00 0.02 0.00 0.00 56.10 57.96 2k50 s TRP 61 Cb -0.18 -3.02 1.28 0.00 -1.15 0.00 0.00 33.47 30.40 2k50 s TRP 61 CO 0.13 -1.69 1.43 -2.37 0.02 0.00 0.00 176.95 174.47 2k50 n THR 62 N -3.43 -0.32 -0.08 2.01 5.66 0.17 0.74 114.28 119.03 2k50 n THR 62 Ca 0.08 1.75 -0.08 0.00 -3.05 0.00 0.00 64.05 62.76 2k50 n THR 62 Cb 0.54 -2.86 0.09 0.00 -1.55 0.00 0.00 70.33 66.55 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 0.76 -0.00 1.09 4.39 -1.91 -3.12 114.58 115.79 2k50 h GLU 63 Ca 0.78 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2k50 h GLU 63 Cb 2.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.89 2k50 h GLU 63 CO -0.58 0.92 -0.21 0.09 -1.16 0.00 0.00 179.01 178.08 2k50 n ASN 64 N -4.11 0.40 -0.15 1.42 4.13 0.23 -4.02 115.26 113.15 2k50 n ASN 64 Ca -0.00 -0.23 0.20 0.00 1.68 0.00 0.00 54.58 56.23 2k50 n ASN 64 Cb 0.44 -0.07 0.59 0.00 -1.54 0.00 0.00 39.78 39.19 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 0.30 0.70 0.00 2.41 1.08 -1.38 0.51 117.51 121.13 2k50 h ILE 65 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2k50 h ILE 65 Cb 0.45 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2k50 h ILE 65 CO 0.00 0.05 0.00 0.07 -0.69 0.00 0.00 178.15 177.58 2k50 h LYS 66 N 0.25 0.00 0.00 2.37 2.10 -1.80 -2.47 116.57 117.02 2k50 h LYS 66 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2k50 h LYS 66 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2k50 h LYS 66 CO -0.09 0.00 -0.48 -0.07 -2.00 0.00 0.00 179.45 176.81 2k50 h LEU 67 N 0.00 0.00 -2.01 7.07 3.38 -1.18 -3.35 115.31 119.22 2k50 h LEU 67 Ca 0.00 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2k50 h LEU 67 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2k50 h LEU 67 CO 0.00 0.04 0.22 -0.07 0.09 0.00 0.00 178.44 178.72 2k50 h LEU 68 N 0.00 0.00 -1.77 1.67 3.38 -1.51 -0.71 115.31 116.37 2k50 h LEU 68 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k50 h LEU 68 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2k50 h LEU 68 CO 0.00 0.00 -0.05 0.07 0.09 0.00 0.00 178.44 178.55 2k50 h LYS 69 N 0.00 0.00 0.00 1.13 2.10 -1.78 -2.96 116.57 115.07 2k50 h LYS 69 Ca 0.14 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2k50 h LYS 69 Cb 0.58 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2k50 h LYS 69 CO -0.00 0.05 -0.35 0.87 -2.00 0.00 0.00 179.45 178.01 2k50 h LYS 70 N 0.00 0.00 -4.83 0.07 1.57 -1.39 -3.45 116.57 108.54 2k50 h LYS 70 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2k50 h LYS 70 Cb 0.42 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.58 2k50 h LYS 70 CO 0.01 0.35 -0.70 -0.59 -0.57 0.00 0.00 179.45 177.95 2k50 s PHE 71 N -4.16 1.07 0.31 -1.35 -0.71 -1.12 -5.03 117.98 106.99 2k50 s PHE 71 Ca -0.03 -0.87 0.07 0.00 -1.04 0.00 0.00 56.93 55.07 2k50 s PHE 71 Cb 0.14 -0.58 -0.06 0.00 -1.21 0.00 0.00 43.02 41.31 2k50 s PHE 71 CO 0.71 -0.07 -0.05 1.03 -1.34 0.00 0.00 175.22 175.50 2k50 s ARG 72 N -3.81 1.65 -0.94 1.99 0.52 -1.26 -4.91 118.95 112.19 2k50 s ARG 72 Ca 0.15 -1.86 -0.24 0.00 -0.52 0.00 0.00 55.73 53.26 2k50 s ARG 72 Cb 0.04 -1.29 -0.06 0.00 0.52 0.00 0.00 34.95 34.16 2k50 s ARG 72 CO -0.02 0.03 1.96 -2.00 0.02 0.00 0.00 175.30 175.30 2k50 s GLU 73 N -3.71 2.50 0.00 3.54 2.12 -1.26 -1.63 118.70 120.26 2k50 s GLU 73 Ca 0.31 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2k50 s GLU 73 Cb 0.04 -5.08 0.00 0.00 0.26 0.00 0.00 34.13 29.36 2k50 s GLU 73 CO 0.14 -3.52 0.00 0.41 -0.54 0.00 0.00 175.26 171.75 2k50 n GLY 74 N 6.70 0.61 2.54 -1.50 0.00 -0.99 -5.00 105.19 107.56 2k50 n GLY 74 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 2k50 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k50 n ASP 75 N 0.00 0.34 -4.21 1.61 8.00 -0.64 -4.80 116.55 116.84 2k50 n ASP 75 Ca 0.00 -1.46 -0.31 0.00 0.71 0.00 0.00 54.79 53.73 2k50 n ASP 75 Cb 0.00 -0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 40.34 2k50 n ASP 75 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2k50 s VAL 76 N -2.59 1.93 0.17 2.53 1.01 -1.26 -0.37 120.40 121.81 2k50 s VAL 76 Ca 0.48 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2k50 s VAL 76 Cb -0.02 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2k50 s VAL 76 CO 0.33 0.53 0.01 0.27 0.00 0.00 0.00 175.10 176.24 2k50 s ILE 77 N 0.20 0.62 -0.08 2.22 -4.36 -0.94 -1.32 121.20 117.55 2k50 s ILE 77 Ca -0.13 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.26 2k50 s ILE 77 Cb -0.16 -2.10 0.04 0.00 1.25 0.00 0.00 42.46 41.49 2k50 s ILE 77 CO 0.06 -0.49 0.12 -0.60 0.24 0.00 0.00 174.94 174.27 2k50 s ARG 78 N -3.93 -0.00 -0.17 0.37 3.52 0.19 -1.95 118.95 116.98 2k50 s ARG 78 Ca 0.24 0.42 -0.16 0.00 -0.13 0.00 0.00 55.73 56.09 2k50 s ARG 78 Cb 0.06 -0.54 -0.04 0.00 -1.56 0.00 0.00 34.95 32.87 2k50 s ARG 78 CO 0.03 -0.36 0.41 0.42 -0.81 0.00 0.00 175.30 174.99 2k50 s ILE 79 N 2.23 5.21 -0.13 4.11 1.01 0.12 -0.91 121.20 132.84 2k50 s ILE 79 Ca 0.04 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.31 2k50 s ILE 79 Cb -0.12 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 2k50 s ILE 79 CO -0.05 0.30 0.33 -0.75 0.00 0.00 0.00 174.94 174.76 2k50 s LYS 80 N 0.95 4.17 -0.31 2.79 2.20 -0.48 -0.08 119.74 128.99 2k50 s LYS 80 Ca 0.21 0.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 2k50 s LYS 80 Cb -0.14 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2k50 s LYS 80 CO 0.08 0.32 0.19 -0.25 -0.36 0.00 0.00 175.35 175.33 2k50 n ASP 81 N 3.26 -7.72 -4.21 1.43 8.00 -1.26 -4.05 116.55 112.00 2k50 n ASP 81 Ca -0.12 1.00 -0.12 0.00 0.71 0.00 0.00 54.79 56.26 2k50 n ASP 81 Cb 0.52 -4.71 -0.10 0.00 -0.02 0.00 0.00 41.12 36.81 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 -1.80 0.35 -0.28 2.53 -7.23 -1.00 -4.56 120.40 108.42 2k50 s VAL 82 Ca 0.09 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 2k50 s VAL 82 Cb -0.02 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2k50 s VAL 82 CO 0.69 -0.33 0.14 0.20 -0.31 0.00 0.00 175.10 175.49 2k50 s ASN 83 N -3.15 5.60 -0.49 4.85 0.02 -0.95 -1.51 114.94 119.32 2k50 s ASN 83 Ca 0.28 -0.19 -0.29 0.00 -1.02 0.00 0.00 52.86 51.65 2k50 s ASN 83 Cb 0.07 -2.03 0.03 0.00 0.02 0.00 0.00 41.25 39.34 2k50 s ASN 83 CO 0.06 -0.07 1.13 -0.63 0.02 0.00 0.00 177.10 177.61 2k50 s ILE 84 N 1.68 4.20 -0.17 0.60 -1.09 -0.99 -1.42 121.20 124.01 2k50 s ILE 84 Ca 0.06 1.17 -0.19 0.00 -2.23 0.00 0.00 60.65 59.47 2k50 s ILE 84 Cb -0.16 -4.61 -0.16 0.00 -1.58 0.00 0.00 42.46 35.95 2k50 s ILE 84 CO 0.07 -1.03 0.28 0.03 -1.23 0.00 0.00 174.94 173.06 2k50 h ARG 85 N 9.25 0.00 -0.87 2.79 2.47 -1.13 0.10 114.38 127.00 2k50 h ARG 85 Ca -0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2k50 h ARG 85 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2k50 h ARG 85 CO 1.13 0.71 0.00 0.41 0.56 0.00 0.00 179.97 182.78 2k50 n GLY 86 N 1.55 -0.67 3.66 0.04 0.00 -1.22 -4.52 105.19 104.04 2k50 n GLY 86 Ca -0.18 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 44.62 2k50 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 87 N 1.21 1.52 3.56 -0.02 0.00 -1.08 -4.81 105.19 105.57 2k50 n GLY 87 Ca 0.00 0.85 -0.48 0.00 0.00 0.00 0.00 46.02 46.39 2k50 n GLY 87 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k50 n PHE 88 N 7.44 1.91 -1.01 1.61 7.35 -1.26 -1.42 117.46 132.08 2k50 n PHE 88 Ca 0.23 0.08 -0.00 0.00 -0.76 0.00 0.00 57.45 57.00 2k50 n PHE 88 Cb 0.34 -2.63 -0.00 0.00 0.35 0.00 0.00 39.48 37.54 2k50 n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k50 n GLY 89 N 5.73 0.46 0.00 7.13 0.00 -1.26 -4.96 105.19 112.29 2k50 n GLY 89 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.64 5.18 3.78 -0.02 0.00 -0.51 -5.14 105.19 105.84 2k50 n GLY 90 Ca -0.00 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 2.98 4.14 0.87 1.61 0.52 -1.26 -4.70 118.95 123.10 2k50 s ARG 91 Ca 0.00 1.59 -0.13 0.00 -0.52 0.00 0.00 55.73 56.67 2k50 s ARG 91 Cb 0.00 -2.58 0.14 0.00 0.52 0.00 0.00 34.95 33.03 2k50 s ARG 91 CO 0.00 -0.18 1.23 0.15 0.02 0.00 0.00 175.30 176.52 2k50 s LYS 92 N -2.43 1.32 -0.00 3.54 1.02 -1.26 -2.63 119.74 119.29 2k50 s LYS 92 Ca 0.57 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 56.30 2k50 s LYS 92 Cb -0.24 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2k50 s LYS 92 CO 0.30 -1.96 0.04 -1.83 -0.92 0.00 0.00 175.35 170.98 2k50 s GLU 93 N -5.68 0.26 -0.17 1.68 -1.05 -1.26 -1.92 118.70 110.56 2k50 s GLU 93 Ca 0.68 -0.30 0.01 0.00 -0.15 0.00 0.00 54.97 55.20 2k50 s GLU 93 Cb -0.07 0.10 0.03 0.00 -0.44 0.00 0.00 34.13 33.75 2k50 s GLU 93 CO 0.50 -0.05 -0.12 0.00 0.95 0.00 0.00 175.26 176.54 2k50 s ALA 94 N -0.89 1.92 -0.13 -0.84 0.00 0.24 -0.48 121.76 121.57 2k50 s ALA 94 Ca -0.10 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 2k50 s ALA 94 Cb -0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2k50 s ALA 94 CO 0.00 -0.58 0.44 -1.01 0.00 0.00 0.00 175.76 174.60 2k50 s HIS 95 N 1.45 3.49 0.73 0.00 3.76 -0.51 -0.52 115.29 123.68 2k50 s HIS 95 Ca 0.02 0.82 -0.10 0.00 -0.15 0.00 0.00 55.06 55.65 2k50 s HIS 95 Cb -0.14 -2.51 0.05 0.00 1.11 0.00 0.00 32.58 31.08 2k50 s HIS 95 CO -0.10 0.17 1.08 -0.51 -0.85 0.00 0.00 174.74 174.53 2k50 s LEU 96 N 0.65 2.79 0.33 0.89 1.02 -0.93 -2.25 118.68 121.18 2k50 s LEU 96 Ca 0.24 0.77 0.08 0.00 0.02 0.00 0.00 54.13 55.24 2k50 s LEU 96 Cb -0.15 -3.43 -0.06 0.00 0.02 0.00 0.00 46.19 42.57 2k50 s LEU 96 CO 0.09 -1.57 -0.07 -0.04 0.02 0.00 0.00 176.35 174.78 2k50 s MET 97 N -5.35 1.75 0.60 1.70 -1.94 -1.26 -4.80 119.30 109.99 2k50 s MET 97 Ca 0.59 -1.91 0.29 0.00 -1.71 0.00 0.00 55.69 52.95 2k50 s MET 97 Cb -0.11 -1.51 1.50 0.00 2.01 0.00 0.00 34.83 36.72 2k50 s MET 97 CO 0.48 0.08 1.90 -1.00 -0.01 0.00 0.00 175.02 176.47 2k50 h PRO 98 N 2.07 0.00 -0.27 2.03 0.13 -1.98 -0.47 132.00 133.51 2k50 h PRO 98 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.70 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.01 2k50 n ARG 99 N -3.61 2.86 -2.61 0.86 1.74 -1.26 -4.90 116.66 109.73 2k50 n ARG 99 Ca 0.07 -2.08 -0.43 0.00 -0.77 0.00 0.00 57.85 54.63 2k50 n ARG 99 Cb 0.62 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.18 6.70 0.33 0.55 0.01 -0.19 -5.03 113.70 114.90 2k50 s SER 100 Ca 0.22 0.60 0.07 0.00 1.31 0.00 0.00 55.95 58.15 2k50 s SER 100 Cb 0.14 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.81 2k50 s SER 100 CO 0.12 -1.16 0.44 0.42 0.41 0.00 0.00 173.24 173.47 2k50 s THR 101 N 4.25 4.07 -0.08 1.44 -4.23 -1.26 -4.77 115.64 115.06 2k50 s THR 101 Ca 0.47 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.98 2k50 s THR 101 Cb -0.08 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.34 2k50 s THR 101 CO 0.28 -0.17 -0.22 0.68 -0.54 0.00 0.00 174.62 174.65 2k50 s VAL 102 N -2.18 2.31 -0.12 2.29 -7.23 -1.26 -1.38 120.40 112.83 2k50 s VAL 102 Ca 0.44 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2k50 s VAL 102 Cb -0.09 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 2k50 s VAL 102 CO 0.30 0.56 -0.13 -1.83 -0.31 0.00 0.00 175.10 173.69 2k50 s GLU 103 N 0.05 3.33 0.15 4.82 -1.05 -0.09 -4.94 118.70 120.96 2k50 s GLU 103 Ca -0.09 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 53.75 2k50 s GLU 103 Cb -0.15 -2.61 -0.07 0.00 -0.44 0.00 0.00 34.13 30.86 2k50 s GLU 103 CO 0.06 0.24 0.92 0.14 0.95 0.00 0.00 175.26 177.57 2k50 s VAL 104 N 0.29 4.38 0.12 1.83 -7.23 -1.26 0.55 120.40 119.08 2k50 s VAL 104 Ca -0.10 2.01 0.01 0.00 -1.81 0.00 0.00 61.98 62.10 2k50 s VAL 104 Cb -0.16 -4.29 0.01 0.00 0.56 0.00 0.00 36.38 32.50 2k50 s VAL 104 CO 0.06 0.39 0.12 0.18 -0.31 0.00 0.00 175.10 175.54 2k50 n LEU 105 N 2.31 0.00 -1.11 1.32 4.77 -0.43 -4.50 117.00 119.35 2k50 n LEU 105 Ca 0.00 -0.56 0.14 0.00 -0.03 0.00 0.00 56.01 55.55 2k50 n LEU 105 Cb 0.49 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2k50 n LEU 105 CO 0.50 -0.42 -0.48 0.47 -1.33 0.00 0.00 177.39 176.13 2k50 n ASP 106 N -2.36 -6.13 -0.01 -1.43 9.92 -1.26 -4.62 116.55 110.65 2k50 n ASP 106 Ca 0.01 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.36 2k50 n ASP 106 Cb 0.13 -3.81 0.00 0.00 -0.64 0.00 0.00 41.12 36.80 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 -3.82 0.00 -1.69 -0.24 -0.02 -1.26 -4.47 135.00 123.49 2k50 n PRO 107 Ca -0.07 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.97 2k50 n PRO 107 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.97 2k50 n PRO 107 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k50 n LEU 108 N 0.00 3.65 0.25 2.45 7.99 -1.26 -4.90 117.00 125.18 2k50 n LEU 108 Ca 0.00 1.05 0.14 0.00 -0.01 0.00 0.00 56.01 57.19 2k50 n LEU 108 Cb 0.00 -1.51 0.58 0.00 -0.11 0.00 0.00 43.42 42.38 2k50 n LEU 108 CO 0.00 0.00 0.90 -0.33 -1.51 0.00 0.00 177.39 176.45 2k50 h GLU 109 N 6.85 0.00 -0.01 3.23 4.39 -1.79 -3.53 114.58 123.72 2k50 h GLU 109 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2k50 h GLU 109 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2k50 h GLU 109 CO 0.93 0.11 0.00 0.72 -1.16 0.00 0.00 179.01 179.61