#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k50 n LYS 2 N 0.00 -4.11 -1.57 0.03 5.02 -1.26 -4.64 118.16 111.63 2k50 n LYS 2 Ca 0.00 3.07 -0.58 0.00 -2.02 0.00 0.00 58.31 58.77 2k50 n LYS 2 Cb 0.00 -3.50 -0.09 0.00 -0.02 0.00 0.00 35.03 31.43 2k50 n LYS 2 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2k50 n PRO 3 N 1.42 0.73 -3.18 1.97 -0.02 -1.26 -3.19 135.00 131.47 2k50 n PRO 3 Ca 0.00 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 2k50 n PRO 3 Cb 0.00 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 31.53 2k50 n PRO 3 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k50 n GLU 4 N 6.21 -1.56 -3.77 -0.52 2.13 -1.26 -5.06 120.64 116.81 2k50 n GLU 4 Ca 0.36 1.25 -0.13 0.00 0.66 0.00 0.00 57.16 59.30 2k50 n GLU 4 Cb 0.09 -5.50 -0.09 0.00 0.27 0.00 0.00 31.44 26.21 2k50 n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2k50 s HIS 5 N -3.12 -0.15 -1.32 4.31 3.76 -1.19 -5.07 115.29 112.50 2k50 s HIS 5 Ca 0.14 0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 2k50 s HIS 5 Cb -0.02 0.08 0.03 0.00 1.11 0.00 0.00 32.58 33.78 2k50 s HIS 5 CO 0.76 -0.39 1.99 0.54 -0.85 0.00 0.00 174.74 176.80 2k50 n ARG 6 N 1.26 2.80 -2.31 1.40 5.12 -1.26 -4.48 116.66 119.18 2k50 n ARG 6 Ca -0.22 -2.80 -0.16 0.00 -1.93 0.00 0.00 57.85 52.74 2k50 n ARG 6 Cb 0.56 -3.37 0.03 0.00 -1.16 0.00 0.00 32.46 28.52 2k50 n ARG 6 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2k50 n MET 7 N 7.23 2.96 -1.85 5.56 2.81 -1.26 -4.90 117.12 127.67 2k50 n MET 7 Ca 0.50 -3.95 -0.42 0.00 -1.81 0.00 0.00 57.70 52.03 2k50 n MET 7 Cb 0.42 -2.05 -0.02 0.00 -0.71 0.00 0.00 33.22 30.87 2k50 n MET 7 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k50 s ASP 8 N -3.66 6.47 0.76 7.83 1.01 -1.26 -4.75 116.67 123.06 2k50 s ASP 8 Ca 0.43 2.83 -0.04 0.00 0.71 0.00 0.00 52.55 56.49 2k50 s ASP 8 Cb 0.38 -2.62 0.14 0.00 1.01 0.00 0.00 42.92 41.83 2k50 s ASP 8 CO 0.01 -0.86 0.91 0.35 0.21 0.00 0.00 175.17 175.79 2k50 n THR 9 N 2.63 0.00 -0.25 -1.27 -2.24 -1.26 -4.78 114.28 107.11 2k50 n THR 9 Ca 0.09 -1.20 0.10 0.00 -2.27 0.00 0.00 64.05 60.78 2k50 n THR 9 Cb 0.38 -1.12 0.37 0.00 -2.10 0.00 0.00 70.33 67.86 2k50 n THR 9 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k50 h ILE 10 N -0.83 0.89 -0.43 2.28 2.04 -1.86 0.14 117.51 119.73 2k50 h ILE 10 Ca -0.30 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2k50 h ILE 10 Cb 1.02 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2k50 h ILE 10 CO 0.29 0.13 0.17 -1.28 0.00 0.00 0.00 178.15 177.46 2k50 h SER 11 N 0.71 0.54 0.83 1.72 0.87 -1.76 -3.02 113.55 113.44 2k50 h SER 11 Ca 0.41 -0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.69 2k50 h SER 11 Cb 0.60 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2k50 h SER 11 CO -0.18 0.49 -1.25 0.11 -0.53 0.00 0.00 176.83 175.48 2k50 h LYS 12 N 0.60 0.00 -6.40 2.24 1.79 -1.10 -3.48 116.57 110.22 2k50 h LYS 12 Ca 0.15 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.99 2k50 h LYS 12 Cb 0.12 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.85 2k50 h LYS 12 CO -0.02 0.75 0.35 1.28 -1.08 0.00 0.00 179.45 180.74 2k50 n LEU 13 N -3.21 1.94 -4.14 2.94 4.77 -0.45 -4.97 117.00 113.88 2k50 n LEU 13 Ca -0.06 1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 56.82 2k50 n LEU 13 Cb 0.97 -1.27 -0.15 0.00 -2.33 0.00 0.00 43.42 40.63 2k50 n LEU 13 CO 0.46 -1.10 -0.49 -0.70 -1.33 0.00 0.00 177.39 174.23 2k50 s GLU 14 N -0.43 1.30 0.15 3.23 2.12 -1.26 -5.04 118.70 118.76 2k50 s GLU 14 Ca 0.71 -0.59 -0.31 0.00 0.36 0.00 0.00 54.97 55.14 2k50 s GLU 14 Cb -0.79 -1.26 -0.10 0.00 0.26 0.00 0.00 34.13 32.24 2k50 s GLU 14 CO 0.52 0.34 1.68 -1.83 -0.54 0.00 0.00 175.26 175.43 2k50 s GLU 15 N -0.42 4.17 0.00 4.30 -1.05 -1.26 -2.16 118.70 122.28 2k50 s GLU 15 Ca 0.06 2.47 0.00 0.00 -0.15 0.00 0.00 54.97 57.35 2k50 s GLU 15 Cb -0.06 -3.31 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 2k50 s GLU 15 CO -0.00 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2k50 n GLY 16 N 3.96 0.25 3.87 -3.83 0.00 0.34 -4.98 105.19 104.79 2k50 n GLY 16 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.77 -0.38 4.61 0.00 -0.92 -4.97 121.76 121.87 2k50 s ALA 17 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2k50 s ALA 17 Cb 0.00 -2.21 0.05 0.00 0.00 0.00 0.00 23.12 20.96 2k50 s ALA 17 CO 0.00 0.58 0.20 -2.00 0.00 0.00 0.00 175.76 174.55 2k50 s GLU 18 N -1.72 2.71 -0.01 0.00 2.12 -1.26 -2.20 118.70 118.34 2k50 s GLU 18 Ca 0.29 -1.22 -0.18 0.00 0.36 0.00 0.00 54.97 54.22 2k50 s GLU 18 Cb -0.14 -3.69 0.03 0.00 0.26 0.00 0.00 34.13 30.59 2k50 s GLU 18 CO 0.16 -0.77 0.40 -0.08 -0.54 0.00 0.00 175.26 174.42 2k50 s THR 19 N 1.48 0.05 0.62 -1.70 -1.32 -0.88 -4.94 115.64 108.95 2k50 s THR 19 Ca 0.01 -0.38 -0.16 0.00 -1.21 0.00 0.00 61.69 59.95 2k50 s THR 19 Cb -0.20 -0.73 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2k50 s THR 19 CO 0.04 -0.21 1.12 -2.16 -2.21 0.00 0.00 174.62 171.20 2k50 s PRO 20 N -1.43 2.98 0.08 7.08 0.04 -1.26 -3.45 135.00 139.04 2k50 s PRO 20 Ca -0.12 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.46 2k50 s PRO 20 Cb -0.04 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2k50 s PRO 20 CO 0.05 -1.12 -0.19 0.14 0.04 0.00 0.00 177.00 175.92 2k50 s VAL 21 N -2.14 1.52 0.03 -0.36 -7.23 -0.18 -4.73 120.40 107.31 2k50 s VAL 21 Ca 0.69 -1.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2k50 s VAL 21 Cb -0.22 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 2k50 s VAL 21 CO 0.37 -0.05 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.11 2k50 s THR 22 N -1.10 0.83 0.00 5.32 2.01 -1.26 -0.11 115.64 121.33 2k50 s THR 22 Ca 0.04 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2k50 s THR 22 Cb -0.10 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2k50 s THR 22 CO 0.03 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 2k50 n GLY 23 N 2.02 -0.70 3.84 4.40 0.00 -0.70 -4.77 105.19 109.27 2k50 n GLY 23 Ca -0.18 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 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 3.95 -0.40 1.61 0.52 -0.53 -1.40 118.95 120.70 2k50 s ARG 24 Ca 0.00 0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 2k50 s ARG 24 Cb 0.00 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.34 2k50 s ARG 24 CO 0.00 0.63 1.19 0.08 0.02 0.00 0.00 175.30 177.22 2k50 s VAL 25 N -1.19 4.22 -0.22 3.52 1.01 -0.02 -0.62 120.40 127.10 2k50 s VAL 25 Ca 0.28 1.31 -0.16 0.00 0.00 0.00 0.00 61.98 63.42 2k50 s VAL 25 Cb -0.17 -4.44 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 2k50 s VAL 25 CO 0.16 -0.77 -0.24 0.80 0.00 0.00 0.00 175.10 175.05 2k50 n MET 26 N 7.57 0.55 -4.37 2.72 1.56 -0.57 -1.26 117.12 123.33 2k50 n MET 26 Ca 0.13 0.33 -0.20 0.00 -0.27 0.00 0.00 57.70 57.69 2k50 n MET 26 Cb 0.48 -1.54 -0.13 0.00 2.15 0.00 0.00 33.22 34.18 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 -2.58 0.96 -0.09 2.12 -0.14 -0.55 -4.74 119.74 114.71 2k50 s LYS 27 Ca -0.31 -0.77 0.02 0.00 -1.36 0.00 0.00 55.97 53.55 2k50 s LYS 27 Cb 0.08 -0.97 0.01 0.00 -1.68 0.00 0.00 37.83 35.28 2k50 s LYS 27 CO 0.45 0.24 -0.14 0.42 -0.76 0.00 0.00 175.35 175.56 2k50 s ILE 28 N -0.86 1.34 0.11 2.17 1.01 -1.26 0.27 121.20 123.98 2k50 s ILE 28 Ca 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 2k50 s ILE 28 Cb -0.08 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 2k50 s ILE 28 CO 0.01 0.41 0.33 -0.44 0.00 0.00 0.00 174.94 175.25 2k50 s SER 29 N 0.95 6.47 0.63 3.58 0.01 -0.56 -5.00 113.70 119.78 2k50 s SER 29 Ca -0.08 0.52 -0.17 0.00 1.31 0.00 0.00 55.95 57.53 2k50 s SER 29 Cb -0.15 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2k50 s SER 29 CO -0.00 0.10 1.15 -0.44 0.41 0.00 0.00 173.24 174.46 2k50 s SER 30 N -2.37 5.10 -0.04 2.44 0.01 -1.26 -4.30 113.70 113.27 2k50 s SER 30 Ca 0.38 2.19 -0.30 0.00 1.31 0.00 0.00 55.95 59.53 2k50 s SER 30 Cb -0.12 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 2k50 s SER 30 CO 0.24 -1.64 1.31 -2.16 0.41 0.00 0.00 173.24 171.40 2k50 s PRO 31 N -3.71 4.30 0.01 12.44 0.04 -1.26 -4.60 135.00 142.22 2k50 s PRO 31 Ca 0.72 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.44 2k50 s PRO 31 Cb -0.25 -3.60 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 2k50 s PRO 31 CO 0.37 -0.54 0.39 0.50 0.04 0.00 0.00 177.00 177.75 2k50 s ARG 32 N 2.49 3.85 -0.02 4.56 3.52 0.12 -4.87 118.95 128.60 2k50 s ARG 32 Ca 0.60 0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 56.37 2k50 s ARG 32 Cb -0.27 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2k50 s ARG 32 CO 0.23 0.67 0.40 0.99 -0.81 0.00 0.00 175.30 176.78 2k50 s THR 33 N -1.14 5.07 0.34 4.11 2.01 -1.26 -0.28 115.64 124.49 2k50 s THR 33 Ca 0.25 0.81 0.03 0.00 0.31 0.00 0.00 61.69 63.09 2k50 s THR 33 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2k50 s THR 33 CO 0.14 0.55 0.11 0.72 -0.69 0.00 0.00 174.62 175.44 2k50 s PHE 34 N -0.86 1.77 -0.46 4.92 -0.12 -0.20 -4.96 117.98 118.08 2k50 s PHE 34 Ca 0.23 -1.17 -0.18 0.00 -0.05 0.00 0.00 56.93 55.75 2k50 s PHE 34 Cb -0.16 -1.11 0.04 0.00 -0.63 0.00 0.00 43.02 41.16 2k50 s PHE 34 CO 0.12 -0.24 0.54 0.99 -0.05 0.00 0.00 175.22 176.58 2k50 s THR 35 N -3.40 4.97 0.50 -4.49 2.01 -1.26 -4.45 115.64 109.53 2k50 s THR 35 Ca 0.32 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.99 2k50 s THR 35 Cb 0.06 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2k50 s THR 35 CO 0.15 -0.60 0.13 1.07 -0.69 0.00 0.00 174.62 174.68 2k50 n THR 36 N 5.57 0.00 -1.90 -0.82 5.66 -1.26 -5.10 114.28 116.43 2k50 n THR 36 Ca -0.06 -2.25 -0.42 0.00 -3.05 0.00 0.00 64.05 58.27 2k50 n THR 36 Cb 0.47 0.30 -0.02 0.00 -1.55 0.00 0.00 70.33 69.52 2k50 n THR 36 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2k50 s ARG 37 N -3.90 4.20 -1.19 1.09 3.00 -1.26 -4.82 118.95 116.07 2k50 s ARG 37 Ca 0.10 2.42 -0.22 0.00 0.00 0.00 0.00 55.73 58.03 2k50 s ARG 37 Cb -0.01 -3.10 -0.07 0.00 0.00 0.00 0.00 34.95 31.78 2k50 s ARG 37 CO 0.06 -0.56 1.91 1.63 0.00 0.00 0.00 175.30 178.34 2k50 n LYS 38 N 2.93 1.86 0.00 3.54 4.01 -1.26 -3.89 118.16 125.35 2k50 n LYS 38 Ca 0.10 -2.57 0.00 0.00 -0.51 0.00 0.00 58.31 55.34 2k50 n LYS 38 Cb 0.38 -3.64 0.00 0.00 -0.51 0.00 0.00 35.03 31.26 2k50 n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k50 n GLY 39 N 5.63 0.00 3.38 0.72 0.00 -1.26 -5.08 105.19 108.58 2k50 n GLY 39 Ca 0.46 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.80 1.43 0.12 1.61 0.52 -1.25 -5.08 118.95 114.49 2k50 s ARG 40 Ca 0.00 -1.60 -0.18 0.00 -0.52 0.00 0.00 55.73 53.44 2k50 s ARG 40 Cb 0.00 -1.39 -0.03 0.00 0.52 0.00 0.00 34.95 34.05 2k50 s ARG 40 CO 0.00 0.26 1.69 1.05 0.02 0.00 0.00 175.30 178.32 2k50 h GLU 41 N 2.66 0.46 -0.51 3.54 4.11 -1.94 -3.45 114.58 119.46 2k50 h GLU 41 Ca -0.40 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2k50 h GLU 41 Cb 1.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k50 h GLU 41 CO 0.58 0.43 0.00 0.41 0.07 0.00 0.00 179.01 180.50 2k50 n GLY 42 N -0.85 -0.49 3.25 1.06 0.00 -1.26 -4.16 105.19 102.73 2k50 n GLY 42 Ca -0.01 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.34 0.95 -0.04 1.61 1.02 -1.26 -1.03 119.74 118.65 2k50 s LYS 43 Ca 0.00 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 54.80 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 -0.32 0.29 -0.48 -0.92 0.00 0.00 175.35 173.92 2k50 s LEU 44 N -2.91 0.92 0.02 3.17 0.05 0.61 0.36 118.68 120.91 2k50 s LEU 44 Ca 0.10 0.19 0.01 0.00 0.05 0.00 0.00 54.13 54.49 2k50 s LEU 44 Cb 0.04 1.15 -0.02 0.00 -2.05 0.00 0.00 46.19 45.32 2k50 s LEU 44 CO -0.06 -0.35 -0.05 0.00 -0.55 0.00 0.00 176.35 175.33 2k50 s ALA 45 N -0.95 0.36 -0.28 1.48 0.00 0.11 0.16 121.76 122.63 2k50 s ALA 45 Ca -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2k50 s ALA 45 Cb -0.05 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.17 2k50 s ALA 45 CO 0.03 -0.04 -0.03 -0.80 0.00 0.00 0.00 175.76 174.92 2k50 s ASN 46 N -1.19 4.67 -0.24 0.00 0.01 -1.26 -0.03 114.94 116.90 2k50 s ASN 46 Ca -0.09 -1.15 -0.09 0.00 -0.71 0.00 0.00 52.86 50.82 2k50 s ASN 46 Cb -0.08 -1.68 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 2k50 s ASN 46 CO -0.00 -0.21 0.11 -0.69 -1.51 0.00 0.00 177.10 174.80 2k50 s VAL 47 N 1.26 4.88 -0.50 1.60 1.01 0.18 -1.49 120.40 127.35 2k50 s VAL 47 Ca -0.04 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2k50 s VAL 47 Cb -0.19 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 32.97 2k50 s VAL 47 CO -0.02 0.35 0.67 -0.63 0.00 0.00 0.00 175.10 175.47 2k50 s ILE 48 N 1.20 4.79 0.07 2.22 -1.09 0.14 -0.34 121.20 128.20 2k50 s ILE 48 Ca 0.06 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 2k50 s ILE 48 Cb -0.14 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 2k50 s ILE 48 CO 0.05 -0.80 0.07 0.27 -1.23 0.00 0.00 174.94 173.29 2k50 s ILE 49 N 2.86 4.47 0.03 2.92 -4.36 -0.58 -1.49 121.20 125.06 2k50 s ILE 49 Ca 0.19 -0.76 0.03 0.00 -0.26 0.00 0.00 60.65 59.85 2k50 s ILE 49 Cb -0.17 -3.14 -0.02 0.00 1.25 0.00 0.00 42.46 40.38 2k50 s ILE 49 CO 0.14 0.15 -0.09 0.00 0.24 0.00 0.00 174.94 175.38 2k50 s ALA 50 N -1.35 0.76 0.15 2.27 0.00 0.21 -0.74 121.76 123.06 2k50 s ALA 50 Ca 0.28 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 2k50 s ALA 50 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2k50 s ALA 50 CO 0.20 0.10 0.13 0.34 0.00 0.00 0.00 175.76 176.53 2k50 s ASP 51 N -1.07 0.21 0.00 0.00 2.15 0.13 -1.45 116.67 116.64 2k50 s ASP 51 Ca -0.03 -1.17 0.05 0.00 0.43 0.00 0.00 52.55 51.84 2k50 s ASP 51 Cb -0.07 0.35 0.23 0.00 -0.30 0.00 0.00 42.92 43.13 2k50 s ASP 51 CO 0.01 -0.80 1.11 0.47 -0.17 0.00 0.00 175.17 175.79 2k50 n ASP 52 N -0.16 0.00 -0.74 -0.34 8.00 -1.26 -1.28 116.55 120.77 2k50 n ASP 52 Ca -0.04 0.41 0.07 0.00 0.71 0.00 0.00 54.79 55.94 2k50 n ASP 52 Cb 0.64 -0.43 0.14 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.43 0.59 0.00 -3.53 -2.24 -1.26 -5.07 114.28 101.34 2k50 n THR 53 Ca 0.02 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2k50 n THR 53 Cb 0.05 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.83 3.24 3.86 3.38 0.00 -0.40 -2.03 105.19 114.07 2k50 n GLY 54 Ca 0.13 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.07 3.12 -0.04 1.61 2.02 -1.26 -0.69 118.70 121.39 2k50 s GLU 55 Ca 0.00 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 2k50 s GLU 55 Cb 0.00 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.47 2k50 s GLU 55 CO 0.00 0.50 0.17 -1.17 0.02 0.00 0.00 175.26 174.77 2k50 s LEU 56 N -3.19 1.39 -0.47 1.80 2.96 0.08 -4.59 118.68 116.67 2k50 s LEU 56 Ca 0.32 0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 54.19 2k50 s LEU 56 Cb -0.10 0.67 0.06 0.00 0.50 0.00 0.00 46.19 47.32 2k50 s LEU 56 CO 0.25 -0.20 0.44 -0.60 -1.32 0.00 0.00 176.35 174.92 2k50 s ARG 57 N -0.57 3.01 -0.26 1.98 3.52 -0.16 -1.52 118.95 124.95 2k50 s ARG 57 Ca -0.07 -1.20 -0.25 0.00 -0.13 0.00 0.00 55.73 54.08 2k50 s ARG 57 Cb -0.04 -4.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 2k50 s ARG 57 CO 0.01 -1.04 0.88 0.00 -0.81 0.00 0.00 175.30 174.34 2k50 s ALA 58 N 1.87 3.61 -0.51 6.12 0.00 0.54 -0.94 121.76 132.46 2k50 s ALA 58 Ca 0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 2k50 s ALA 58 Cb -0.22 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2k50 s ALA 58 CO 0.08 -1.06 0.57 0.08 0.00 0.00 0.00 175.76 175.43 2k50 s VAL 59 N 3.00 4.96 -0.52 0.00 1.01 0.51 -0.64 120.40 128.73 2k50 s VAL 59 Ca 0.37 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 2k50 s VAL 59 Cb -0.15 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.02 2k50 s VAL 59 CO 0.09 -0.78 0.68 -0.36 0.00 0.00 0.00 175.10 174.73 2k50 s PHE 60 N 2.38 3.00 0.72 5.22 0.40 0.95 -2.64 117.98 128.03 2k50 s PHE 60 Ca 0.12 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2k50 s PHE 60 Cb -0.21 -3.64 0.03 0.00 0.51 0.00 0.00 43.02 39.70 2k50 s PHE 60 CO 0.10 -1.10 1.07 -1.58 0.70 0.00 0.00 175.22 174.42 2k50 s TRP 61 N 2.86 2.92 0.42 0.36 0.52 -1.26 0.07 118.94 124.83 2k50 s TRP 61 Ca 0.18 1.47 0.26 0.00 0.02 0.00 0.00 56.10 58.02 2k50 s TRP 61 Cb -0.18 -2.94 1.30 0.00 -1.15 0.00 0.00 33.47 30.50 2k50 s TRP 61 CO 0.13 -1.44 1.68 0.00 0.02 0.00 0.00 176.95 177.34 2k50 h THR 62 N -0.87 0.28 -0.68 2.01 1.03 -0.47 0.68 112.91 114.88 2k50 h THR 62 Ca -0.44 -0.07 -0.04 0.00 -0.01 0.00 0.00 66.41 65.86 2k50 h THR 62 Cb 1.22 0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 68.33 2k50 h THR 62 CO 0.55 0.04 0.27 -0.33 -0.01 0.00 0.00 175.52 176.04 2k50 h GLU 63 N 0.20 1.02 -0.01 0.00 4.39 -1.91 -2.96 114.58 115.30 2k50 h GLU 63 Ca 0.73 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2k50 h GLU 63 Cb 2.16 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 2k50 h GLU 63 CO -0.37 0.85 -0.12 0.09 -1.16 0.00 0.00 179.01 178.30 2k50 n ASN 64 N -4.39 0.99 0.04 1.42 4.13 0.22 -3.89 115.26 113.79 2k50 n ASN 64 Ca 0.05 -1.04 0.19 0.00 1.68 0.00 0.00 54.58 55.47 2k50 n ASN 64 Cb 0.17 0.03 0.70 0.00 -1.54 0.00 0.00 39.78 39.15 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 1.37 0.71 0.00 2.41 1.08 -1.05 -0.07 117.51 121.96 2k50 h ILE 65 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2k50 h ILE 65 Cb 0.44 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2k50 h ILE 65 CO 0.00 0.00 0.13 0.07 -0.69 0.00 0.00 178.15 177.66 2k50 h LYS 66 N 0.00 0.00 0.00 2.37 2.10 -1.77 -1.74 116.57 117.53 2k50 h LYS 66 Ca 0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.82 2k50 h LYS 66 Cb 0.89 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 2k50 h LYS 66 CO -0.00 0.00 -0.42 -0.07 -2.00 0.00 0.00 179.45 176.95 2k50 h LEU 67 N 0.00 0.00 -2.06 7.07 3.38 -1.31 -3.31 115.31 119.09 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k50 h LEU 67 CO 0.00 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.64 2k50 h LEU 68 N 0.00 0.00 0.00 1.67 3.38 -1.46 -1.29 115.31 117.61 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 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2k50 h LEU 68 CO 0.02 0.00 -0.19 2.29 0.09 0.00 0.00 178.44 180.65 2k50 n LYS 69 N -2.82 0.19 -0.04 1.13 2.85 -1.25 -4.29 118.16 113.94 2k50 n LYS 69 Ca -0.01 0.12 -0.05 0.00 -1.05 0.00 0.00 58.31 57.32 2k50 n LYS 69 Cb 0.14 -1.69 -0.04 0.00 -0.65 0.00 0.00 35.03 32.79 2k50 n LYS 69 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2k50 h LYS 70 N 0.00 -0.04 -6.41 -1.58 1.57 -1.46 -3.47 116.57 105.18 2k50 h LYS 70 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 2k50 h LYS 70 Cb 0.67 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.00 2k50 h LYS 70 CO 0.00 0.27 -0.27 -0.59 -0.57 0.00 0.00 179.45 178.29 2k50 s PHE 71 N -1.93 2.72 0.21 -1.35 -0.71 -1.25 -5.09 117.98 110.57 2k50 s PHE 71 Ca -0.06 -0.43 0.10 0.00 -1.04 0.00 0.00 56.93 55.49 2k50 s PHE 71 Cb -0.01 -2.34 -0.05 0.00 -1.21 0.00 0.00 43.02 39.42 2k50 s PHE 71 CO 0.23 -0.41 -0.18 1.03 -1.34 0.00 0.00 175.22 174.54 2k50 s ARG 72 N -4.33 1.42 -0.61 1.99 0.52 -1.26 -4.94 118.95 111.73 2k50 s ARG 72 Ca 0.54 -1.56 -0.26 0.00 -0.52 0.00 0.00 55.73 53.94 2k50 s ARG 72 Cb -0.09 -1.45 -0.09 0.00 0.52 0.00 0.00 34.95 33.84 2k50 s ARG 72 CO 0.32 0.28 2.37 -2.00 0.02 0.00 0.00 175.30 176.29 2k50 s GLU 73 N -3.17 1.96 0.00 3.54 2.12 -1.26 -2.02 118.70 119.87 2k50 s GLU 73 Ca 0.22 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.54 2k50 s GLU 73 Cb -0.05 -4.66 0.00 0.00 0.26 0.00 0.00 34.13 29.68 2k50 s GLU 73 CO 0.09 -3.67 0.00 0.41 -0.54 0.00 0.00 175.26 171.55 2k50 n GLY 74 N 6.30 0.93 3.85 -1.50 0.00 -0.39 -4.97 105.19 109.42 2k50 n GLY 74 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 4.26 -0.40 1.61 1.01 -0.86 -4.54 116.67 117.75 2k50 s ASP 75 Ca 0.00 0.91 -0.15 0.00 0.71 0.00 0.00 52.55 54.02 2k50 s ASP 75 Cb 0.00 -1.47 0.01 0.00 1.01 0.00 0.00 42.92 42.47 2k50 s ASP 75 CO 0.00 -2.07 0.32 -0.69 0.21 0.00 0.00 175.17 172.93 2k50 s VAL 76 N -3.43 5.23 0.32 -1.27 1.01 -1.26 -0.84 120.40 120.15 2k50 s VAL 76 Ca 0.62 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 62.20 2k50 s VAL 76 Cb -0.12 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2k50 s VAL 76 CO 0.51 -0.27 -0.10 0.27 0.00 0.00 0.00 175.10 175.50 2k50 s ILE 77 N 1.78 2.46 -0.11 2.22 -4.36 -0.49 -1.90 121.20 120.80 2k50 s ILE 77 Ca 0.07 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 2k50 s ILE 77 Cb -0.18 -2.58 0.02 0.00 1.25 0.00 0.00 42.46 40.97 2k50 s ILE 77 CO 0.11 -0.27 -0.10 -0.60 0.24 0.00 0.00 174.94 174.31 2k50 s ARG 78 N -3.60 1.76 -0.42 0.37 3.52 0.32 -1.73 118.95 119.17 2k50 s ARG 78 Ca 0.32 -0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.39 2k50 s ARG 78 Cb -0.01 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.71 2k50 s ARG 78 CO 0.17 -0.21 0.43 0.42 -0.81 0.00 0.00 175.30 175.30 2k50 s ILE 79 N 1.48 5.09 -0.06 4.11 1.01 0.84 -1.69 121.20 131.98 2k50 s ILE 79 Ca 0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 2k50 s ILE 79 Cb -0.13 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2k50 s ILE 79 CO -0.07 -0.40 0.45 -0.75 0.00 0.00 0.00 174.94 174.17 2k50 s LYS 80 N 2.12 4.17 -0.25 2.79 2.20 -0.88 -1.01 119.74 128.89 2k50 s LYS 80 Ca 0.12 0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 56.15 2k50 s LYS 80 Cb -0.17 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 2k50 s LYS 80 CO 0.13 0.40 0.13 -0.25 -0.36 0.00 0.00 175.35 175.41 2k50 n ASP 81 N 2.80 -6.39 -4.17 1.43 8.00 -1.26 -3.90 116.55 113.06 2k50 n ASP 81 Ca -0.10 0.86 -0.11 0.00 0.71 0.00 0.00 54.79 56.15 2k50 n ASP 81 Cb 0.52 -4.18 -0.10 0.00 -0.02 0.00 0.00 41.12 37.34 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 -1.48 0.04 -0.20 2.53 -7.23 -1.22 -4.38 120.40 108.46 2k50 s VAL 82 Ca 0.05 -1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2k50 s VAL 82 Cb -0.02 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.63 2k50 s VAL 82 CO 0.57 -0.17 -0.15 0.20 -0.31 0.00 0.00 175.10 175.24 2k50 s ASN 83 N -3.11 3.53 -0.44 4.85 0.02 -0.17 -2.07 114.94 117.55 2k50 s ASN 83 Ca 0.33 -0.64 -0.28 0.00 -1.02 0.00 0.00 52.86 51.25 2k50 s ASN 83 Cb 0.07 -1.55 0.03 0.00 0.02 0.00 0.00 41.25 39.81 2k50 s ASN 83 CO 0.08 -0.02 1.08 -0.63 0.02 0.00 0.00 177.10 177.63 2k50 s ILE 84 N 1.33 4.32 -0.10 0.60 -1.09 -0.94 -0.83 121.20 124.49 2k50 s ILE 84 Ca 0.04 1.22 0.15 0.00 -2.23 0.00 0.00 60.65 59.84 2k50 s ILE 84 Cb -0.14 -4.53 -0.17 0.00 -1.58 0.00 0.00 42.46 36.03 2k50 s ILE 84 CO -0.10 -0.87 0.74 0.54 -1.23 0.00 0.00 174.94 174.02 2k50 n ARG 85 N 7.52 0.63 0.00 2.79 5.12 -0.91 -0.51 116.66 131.30 2k50 n ARG 85 Ca 0.11 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 2k50 n ARG 85 Cb 0.49 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 1.46 1.02 2.48 -0.13 0.00 -1.26 -4.61 105.19 104.16 2k50 n GLY 86 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.29 3.62 -0.02 0.00 -1.26 -3.84 105.19 99.40 2k50 n GLY 87 Ca 0.00 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.16 1.19 0.00 1.61 5.36 -1.26 -3.18 117.98 120.53 2k50 s PHE 88 Ca -0.06 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2k50 s PHE 88 Cb 0.00 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.68 2k50 s PHE 88 CO 0.66 -4.45 0.00 0.41 -1.46 0.00 0.00 175.22 170.38 2k50 n GLY 89 N 5.46 0.77 0.00 13.12 0.00 -1.26 -4.76 105.19 118.52 2k50 n GLY 89 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.22 2.16 3.59 -0.02 0.00 -1.19 -5.01 105.19 104.49 2k50 n GLY 90 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 3.49 1.18 1.61 0.52 -1.26 -4.92 118.95 119.58 2k50 s ARG 91 Ca 0.00 0.59 -0.13 0.00 -0.52 0.00 0.00 55.73 55.67 2k50 s ARG 91 Cb 0.00 -4.04 0.29 0.00 0.52 0.00 0.00 34.95 31.73 2k50 s ARG 91 CO 0.00 -1.69 1.02 0.15 0.02 0.00 0.00 175.30 174.80 2k50 s LYS 92 N 5.06 -1.08 0.02 3.54 1.02 -1.25 -4.13 119.74 122.92 2k50 s LYS 92 Ca 0.53 0.76 -0.03 0.00 0.02 0.00 0.00 55.97 57.24 2k50 s LYS 92 Cb -0.10 -1.54 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2k50 s LYS 92 CO 0.29 -3.81 0.04 -1.83 -0.92 0.00 0.00 175.35 169.12 2k50 s GLU 93 N -4.49 0.46 -0.12 1.68 -1.05 -1.26 -0.99 118.70 112.93 2k50 s GLU 93 Ca 0.68 -0.67 -0.01 0.00 -0.15 0.00 0.00 54.97 54.83 2k50 s GLU 93 Cb -0.24 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.65 2k50 s GLU 93 CO 0.64 -0.10 -0.02 0.00 0.95 0.00 0.00 175.26 176.73 2k50 s ALA 94 N -2.02 1.06 -0.05 -0.84 0.00 -0.11 -2.15 121.76 117.66 2k50 s ALA 94 Ca -0.10 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 2k50 s ALA 94 Cb -0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 2k50 s ALA 94 CO -0.02 -0.62 0.44 -1.01 0.00 0.00 0.00 175.76 174.55 2k50 s HIS 95 N 1.82 3.63 0.61 0.00 3.76 -0.01 -0.36 115.29 124.74 2k50 s HIS 95 Ca 0.03 0.95 -0.04 0.00 -0.15 0.00 0.00 55.06 55.84 2k50 s HIS 95 Cb -0.14 -2.41 0.13 0.00 1.11 0.00 0.00 32.58 31.27 2k50 s HIS 95 CO -0.07 0.43 0.83 1.28 -0.85 0.00 0.00 174.74 176.36 2k50 n LEU 96 N 2.65 0.00 -4.06 0.89 4.32 -1.08 -1.00 117.00 118.72 2k50 n LEU 96 Ca -0.11 -1.40 -0.11 0.00 -0.02 0.00 0.00 56.01 54.37 2k50 n LEU 96 Cb 0.52 -0.58 -0.11 0.00 -1.62 0.00 0.00 43.42 41.63 2k50 n LEU 96 CO 0.40 -0.98 -0.39 -0.04 -1.22 0.00 0.00 177.39 175.16 2k50 s MET 97 N -4.67 0.53 0.35 3.23 -1.94 -1.26 -4.89 119.30 110.65 2k50 s MET 97 Ca 0.52 -0.85 0.16 0.00 -1.71 0.00 0.00 55.69 53.80 2k50 s MET 97 Cb -0.02 -0.13 0.86 0.00 2.01 0.00 0.00 34.83 37.54 2k50 s MET 97 CO 0.35 0.00 1.41 -1.35 -0.01 0.00 0.00 175.02 175.42 2k50 h PRO 98 N 4.18 0.00 -0.00 2.03 0.11 -1.98 0.58 132.00 136.92 2k50 h PRO 98 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k50 h PRO 98 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k50 h PRO 98 CO 0.47 0.00 -0.32 0.54 -0.21 0.00 0.00 178.00 178.48 2k50 n ARG 99 N -2.15 3.59 -3.15 1.05 1.74 -1.26 -4.96 116.66 111.51 2k50 n ARG 99 Ca -0.01 -0.18 -0.39 0.00 -0.77 0.00 0.00 57.85 56.50 2k50 n ARG 99 Cb 0.28 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 2k50 n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2k50 s SER 100 N -1.60 7.11 0.38 0.55 1.04 0.19 -5.07 113.70 116.30 2k50 s SER 100 Ca 0.04 1.32 0.04 0.00 0.48 0.00 0.00 55.95 57.84 2k50 s SER 100 Cb 0.06 -2.40 -0.06 0.00 0.10 0.00 0.00 66.02 63.73 2k50 s SER 100 CO 0.30 0.16 0.05 0.42 0.98 0.00 0.00 173.24 175.15 2k50 s THR 101 N -0.61 1.31 0.19 2.02 -4.23 -1.25 -4.64 115.64 108.44 2k50 s THR 101 Ca 0.32 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 2k50 s THR 101 Cb -0.20 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2k50 s THR 101 CO 0.20 0.00 -0.21 0.68 -0.54 0.00 0.00 174.62 174.76 2k50 s VAL 102 N -3.09 2.55 0.03 2.29 -7.23 -1.26 -2.06 120.40 111.62 2k50 s VAL 102 Ca 0.31 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 2k50 s VAL 102 Cb 0.07 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2k50 s VAL 102 CO 0.15 -0.13 0.05 -1.83 -0.31 0.00 0.00 175.10 173.03 2k50 s GLU 103 N -2.74 0.51 -0.16 4.82 -1.05 -0.68 -4.97 118.70 114.43 2k50 s GLU 103 Ca 0.22 -0.76 -0.15 0.00 -0.15 0.00 0.00 54.97 54.14 2k50 s GLU 103 Cb -0.08 0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 2k50 s GLU 103 CO 0.11 -0.11 0.32 0.14 0.95 0.00 0.00 175.26 176.67 2k50 s VAL 104 N -2.40 5.28 -0.02 1.83 -7.23 -1.26 -0.52 120.40 116.07 2k50 s VAL 104 Ca -0.07 0.61 -0.03 0.00 -1.81 0.00 0.00 61.98 60.69 2k50 s VAL 104 Cb -0.03 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 2k50 s VAL 104 CO -0.04 0.37 -0.05 0.18 -0.31 0.00 0.00 175.10 175.25 2k50 n LEU 105 N 3.66 0.34 -0.19 1.32 4.77 -0.80 -4.84 117.00 121.27 2k50 n LEU 105 Ca -0.11 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2k50 n LEU 105 Cb 0.52 -0.44 0.27 0.00 -2.33 0.00 0.00 43.42 41.44 2k50 n LEU 105 CO 0.40 -0.48 0.52 0.47 -1.33 0.00 0.00 177.39 176.98 2k50 n ASP 106 N -2.84 0.98 -2.61 -1.43 9.92 -1.26 -4.27 116.55 115.05 2k50 n ASP 106 Ca -0.02 -0.79 -0.08 0.00 -0.53 0.00 0.00 54.79 53.38 2k50 n ASP 106 Cb 0.08 0.25 -0.04 0.00 -0.64 0.00 0.00 41.12 40.77 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 -0.87 0.90 -4.39 -0.24 -0.02 -1.26 -4.88 135.00 124.24 2k50 n PRO 107 Ca 0.10 -0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 60.62 2k50 n PRO 107 Cb 0.36 -1.89 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.02 3.44 -0.08 2.45 1.98 -1.26 -5.03 118.68 120.20 2k50 s LEU 108 Ca 0.24 0.04 -0.14 0.00 -2.89 0.00 0.00 54.13 51.37 2k50 s LEU 108 Cb 0.09 -1.80 -0.29 0.00 0.66 0.00 0.00 46.19 44.85 2k50 s LEU 108 CO -0.01 0.30 0.63 -0.33 -1.89 0.00 0.00 176.35 175.05 2k50 h GLU 109 N 5.74 0.31 0.00 1.98 5.08 -1.95 -3.54 114.58 122.20 2k50 h GLU 109 Ca -0.44 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.39 2k50 h GLU 109 Cb 1.19 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2k50 h GLU 109 CO 0.58 1.25 0.00 0.72 -1.00 0.00 0.00 179.01 180.56