#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 -3.05 -1.56 0.03 5.02 -1.26 -4.80 118.16 112.54 2k50 n LYS 2 Ca 0.00 2.51 -0.48 0.00 -2.02 0.00 0.00 58.31 58.32 2k50 n LYS 2 Cb 0.00 -4.55 -0.05 0.00 -0.02 0.00 0.00 35.03 30.41 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 0.94 1.69 0.27 1.97 -0.02 -1.26 -4.85 135.00 133.74 2k50 n PRO 3 Ca -0.04 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 2k50 n PRO 3 Cb 0.15 -2.77 0.82 0.00 -0.02 0.00 0.00 33.50 31.67 2k50 n PRO 3 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2k50 h GLU 4 N 12.34 0.00 -5.05 -0.52 4.11 -2.05 -3.37 114.58 120.05 2k50 h GLU 4 Ca -0.38 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.45 2k50 h GLU 4 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2k50 h GLU 4 CO 0.98 0.00 2.18 0.72 0.07 0.00 0.00 179.01 182.96 2k50 n HIS 5 N -4.07 3.39 -3.62 2.06 8.25 -1.26 -4.83 115.22 115.14 2k50 n HIS 5 Ca -0.02 -2.35 -0.19 0.00 -0.26 0.00 0.00 57.72 54.90 2k50 n HIS 5 Cb 0.13 -2.44 -0.16 0.00 1.12 0.00 0.00 29.99 28.65 2k50 n HIS 5 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k50 s ARG 6 N 4.66 0.05 -0.82 -0.41 0.52 -1.26 -5.10 118.95 116.59 2k50 s ARG 6 Ca 0.56 0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 55.90 2k50 s ARG 6 Cb 0.07 -0.77 0.07 0.00 0.52 0.00 0.00 34.95 34.84 2k50 s ARG 6 CO 0.06 -0.44 1.18 -1.64 0.02 0.00 0.00 175.30 174.48 2k50 s MET 7 N 2.25 3.35 -0.54 3.54 -1.94 -1.26 -4.97 119.30 119.73 2k50 s MET 7 Ca 0.04 -0.99 -0.28 0.00 -1.71 0.00 0.00 55.69 52.75 2k50 s MET 7 Cb -0.13 -4.64 0.00 0.00 2.01 0.00 0.00 34.83 32.07 2k50 s MET 7 CO -0.07 -1.97 1.53 0.34 -0.01 0.00 0.00 175.02 174.84 2k50 s ASP 8 N 3.99 5.96 1.10 3.03 2.15 -1.26 -4.99 116.67 126.64 2k50 s ASP 8 Ca 0.33 0.42 -0.13 0.00 0.43 0.00 0.00 52.55 53.60 2k50 s ASP 8 Cb -0.08 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.20 2k50 s ASP 8 CO 0.02 -1.81 0.79 1.07 -0.17 0.00 0.00 175.17 175.06 2k50 n THR 9 N 6.98 0.00 -0.19 1.71 5.66 -1.26 -4.02 114.28 123.16 2k50 n THR 9 Ca 0.15 -0.31 -0.03 0.00 -3.05 0.00 0.00 64.05 60.81 2k50 n THR 9 Cb 0.49 -0.88 0.16 0.00 -1.55 0.00 0.00 70.33 68.55 2k50 n THR 9 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2k50 h ILE 10 N -2.31 1.23 -0.88 1.09 2.04 -1.90 0.32 117.51 117.09 2k50 h ILE 10 Ca -0.55 -0.76 0.12 0.00 1.00 0.00 0.00 64.86 64.68 2k50 h ILE 10 Cb 1.32 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 2k50 h ILE 10 CO 0.44 0.30 0.57 -1.28 0.00 0.00 0.00 178.15 178.17 2k50 h SER 11 N 0.93 0.70 0.00 1.72 0.87 -1.87 -3.33 113.55 112.58 2k50 h SER 11 Ca 0.22 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2k50 h SER 11 Cb 0.22 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2k50 h SER 11 CO -0.02 0.38 0.00 0.29 -0.53 0.00 0.00 176.83 176.96 2k50 n LYS 12 N -4.54 0.00 -3.22 2.24 4.76 0.31 -4.95 118.16 112.75 2k50 n LYS 12 Ca 0.16 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 2k50 n LYS 12 Cb 0.39 -0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 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 -0.29 -0.72 -4.63 -0.35 4.77 0.85 -4.69 117.00 111.93 2k50 n LEU 13 Ca 0.00 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 55.07 2k50 n LEU 13 Cb 0.00 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 2k50 n LEU 13 CO 0.00 0.22 1.68 -0.70 -1.33 0.00 0.00 177.39 177.26 2k50 s GLU 14 N -3.78 3.66 0.19 3.23 2.12 -1.26 -4.88 118.70 117.98 2k50 s GLU 14 Ca 0.03 2.24 -0.32 0.00 0.36 0.00 0.00 54.97 57.28 2k50 s GLU 14 Cb -0.02 -4.24 -0.16 0.00 0.26 0.00 0.00 34.13 29.98 2k50 s GLU 14 CO 0.43 -1.49 1.09 -0.85 -0.54 0.00 0.00 175.26 173.89 2k50 n GLU 15 N 8.08 1.08 -0.32 4.30 0.28 -1.26 -1.67 120.64 131.13 2k50 n GLU 15 Ca 0.24 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 2k50 n GLU 15 Cb 0.43 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.48 2k50 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k50 n GLY 16 N 1.86 0.97 3.90 -1.84 0.00 0.52 -5.01 105.19 105.58 2k50 n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.79 3.71 -0.32 4.61 0.00 -0.67 -4.89 121.76 121.40 2k50 s ALA 17 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2k50 s ALA 17 Cb 0.00 -2.21 0.04 0.00 0.00 0.00 0.00 23.12 20.95 2k50 s ALA 17 CO 0.00 0.48 0.07 -2.00 0.00 0.00 0.00 175.76 174.31 2k50 s GLU 18 N -3.04 2.56 0.02 0.00 2.12 -1.26 -1.38 118.70 117.72 2k50 s GLU 18 Ca 0.43 -1.20 -0.15 0.00 0.36 0.00 0.00 54.97 54.40 2k50 s GLU 18 Cb -0.11 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.94 2k50 s GLU 18 CO 0.26 -0.64 0.34 -0.08 -0.54 0.00 0.00 175.26 174.59 2k50 s THR 19 N 1.35 0.07 0.40 -1.70 -1.32 -0.51 -4.88 115.64 109.05 2k50 s THR 19 Ca -0.03 -0.55 -0.25 0.00 -1.21 0.00 0.00 61.69 59.65 2k50 s THR 19 Cb -0.20 -0.84 -0.08 0.00 -1.51 0.00 0.00 72.50 69.88 2k50 s THR 19 CO 0.01 -0.30 1.16 -2.16 -2.21 0.00 0.00 174.62 171.12 2k50 s PRO 20 N -2.09 4.05 0.24 7.08 0.04 -1.26 -2.46 135.00 140.60 2k50 s PRO 20 Ca -0.08 1.80 0.08 0.00 0.04 0.00 0.00 61.00 62.84 2k50 s PRO 20 Cb -0.02 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 2k50 s PRO 20 CO -0.00 -0.31 -0.13 0.14 0.04 0.00 0.00 177.00 176.74 2k50 s VAL 21 N -1.44 1.84 -0.07 -0.36 -7.23 0.55 -4.76 120.40 108.93 2k50 s VAL 21 Ca 0.57 -2.22 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2k50 s VAL 21 Cb -0.30 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.45 2k50 s VAL 21 CO 0.37 -0.48 0.20 -0.89 -0.31 0.00 0.00 175.10 173.99 2k50 s THR 22 N -2.90 0.01 0.02 5.32 2.01 -1.26 0.08 115.64 118.91 2k50 s THR 22 Ca 0.26 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 2k50 s THR 22 Cb -0.00 -0.30 0.10 0.00 0.01 0.00 0.00 72.50 72.30 2k50 s THR 22 CO 0.10 -0.03 0.95 -0.83 -0.69 0.00 0.00 174.62 174.11 2k50 s GLY 23 N -0.02 -0.39 -0.40 4.40 0.00 -0.58 -4.88 107.32 105.44 2k50 s GLY 23 Ca -0.01 0.83 -0.25 0.00 0.00 0.00 0.00 44.72 45.28 2k50 s GLY 23 CO 0.00 0.26 0.91 0.50 0.00 0.00 0.00 173.10 174.77 2k50 s ARG 24 N -3.08 3.72 -0.31 2.90 0.52 -0.02 -1.66 118.95 121.03 2k50 s ARG 24 Ca 0.07 0.40 -0.28 0.00 -0.52 0.00 0.00 55.73 55.40 2k50 s ARG 24 Cb -0.01 -3.85 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 2k50 s ARG 24 CO -0.06 -1.03 2.18 0.08 0.02 0.00 0.00 175.30 176.49 2k50 s VAL 25 N 3.53 3.09 -0.25 3.52 1.01 0.15 0.03 120.40 131.48 2k50 s VAL 25 Ca 0.37 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 2k50 s VAL 25 Cb -0.11 -3.15 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 2k50 s VAL 25 CO 0.21 -0.11 -0.18 0.80 0.00 0.00 0.00 175.10 175.82 2k50 n MET 26 N 8.79 0.60 -4.55 2.72 1.56 0.07 -1.65 117.12 124.65 2k50 n MET 26 Ca 0.30 0.31 -0.21 0.00 -0.27 0.00 0.00 57.70 57.82 2k50 n MET 26 Cb 0.48 -1.56 -0.15 0.00 2.15 0.00 0.00 33.22 34.14 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 -2.49 1.01 -0.21 2.12 -0.14 -0.70 -4.72 119.74 114.61 2k50 s LYS 27 Ca -0.35 -0.46 0.01 0.00 -1.36 0.00 0.00 55.97 53.80 2k50 s LYS 27 Cb 0.12 -0.98 0.05 0.00 -1.68 0.00 0.00 37.83 35.33 2k50 s LYS 27 CO 0.54 0.27 -0.08 0.42 -0.76 0.00 0.00 175.35 175.74 2k50 s ILE 28 N -0.32 1.60 -0.15 2.17 1.01 -1.26 -0.06 121.20 124.18 2k50 s ILE 28 Ca 0.05 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 2k50 s ILE 28 Cb -0.05 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2k50 s ILE 28 CO -0.00 0.06 0.46 -0.44 0.00 0.00 0.00 174.94 175.02 2k50 s SER 29 N 1.39 6.60 0.69 3.58 0.01 0.41 -5.02 113.70 121.37 2k50 s SER 29 Ca -0.03 0.72 -0.17 0.00 1.31 0.00 0.00 55.95 57.78 2k50 s SER 29 Cb -0.17 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 63.80 2k50 s SER 29 CO -0.07 -0.04 1.23 -1.20 0.41 0.00 0.00 173.24 173.57 2k50 n SER 30 N 4.03 1.65 -4.70 2.44 7.64 -1.26 -3.56 113.62 119.85 2k50 n SER 30 Ca -0.07 0.76 -0.55 0.00 1.01 0.00 0.00 58.87 60.01 2k50 n SER 30 Cb 0.51 -1.53 -0.07 0.00 -1.01 0.00 0.00 64.21 62.12 2k50 n SER 30 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k50 n PRO 31 N -2.20 1.38 -3.21 1.43 -0.04 -1.26 -4.68 135.00 126.41 2k50 n PRO 31 Ca 0.15 0.51 -0.41 0.00 -0.04 0.00 0.00 63.50 63.71 2k50 n PRO 31 Cb 0.49 -2.23 -0.07 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.73 3.76 0.12 0.54 3.52 0.88 -4.86 118.95 126.64 2k50 s ARG 32 Ca 0.97 0.02 -0.17 0.00 -0.13 0.00 0.00 55.73 56.42 2k50 s ARG 32 Cb -0.99 -3.77 -0.07 0.00 -1.56 0.00 0.00 34.95 28.57 2k50 s ARG 32 CO 0.63 -0.58 0.58 0.99 -0.81 0.00 0.00 175.30 176.10 2k50 s THR 33 N 2.44 4.76 0.07 4.11 2.01 -1.26 -0.63 115.64 127.13 2k50 s THR 33 Ca 0.21 1.08 -0.04 0.00 0.31 0.00 0.00 61.69 63.25 2k50 s THR 33 Cb -0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2k50 s THR 33 CO 0.12 0.40 0.05 0.72 -0.69 0.00 0.00 174.62 175.22 2k50 s PHE 34 N -1.29 0.41 -0.59 4.92 -0.12 0.08 -4.97 117.98 116.42 2k50 s PHE 34 Ca 0.34 -0.91 -0.25 0.00 -0.05 0.00 0.00 56.93 56.06 2k50 s PHE 34 Cb -0.17 -0.28 0.04 0.00 -0.63 0.00 0.00 43.02 41.98 2k50 s PHE 34 CO 0.19 -0.44 1.01 0.99 -0.05 0.00 0.00 175.22 176.92 2k50 s THR 35 N -3.90 4.27 0.10 -4.49 2.01 -1.26 -4.08 115.64 108.29 2k50 s THR 35 Ca 0.07 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 2k50 s THR 35 Cb 0.07 -4.62 0.02 0.00 0.01 0.00 0.00 72.50 67.98 2k50 s THR 35 CO -0.10 -1.26 0.14 1.07 -0.69 0.00 0.00 174.62 173.78 2k50 n THR 36 N 6.24 0.00 -1.77 -0.82 5.66 -1.25 -5.06 114.28 117.28 2k50 n THR 36 Ca 0.02 -0.22 -0.35 0.00 -3.05 0.00 0.00 64.05 60.45 2k50 n THR 36 Cb 0.48 -1.31 0.06 0.00 -1.55 0.00 0.00 70.33 68.01 2k50 n THR 36 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2k50 s ARG 37 N -2.75 2.64 -0.49 1.09 6.06 -1.26 -4.85 118.95 119.39 2k50 s ARG 37 Ca 0.09 1.76 -0.45 0.00 -2.50 0.00 0.00 55.73 54.63 2k50 s ARG 37 Cb -0.01 -1.89 -0.19 0.00 0.06 0.00 0.00 34.95 32.92 2k50 s ARG 37 CO 0.06 -1.45 1.83 1.17 -2.50 0.00 0.00 175.30 174.42 2k50 n LYS 38 N -2.10 0.00 0.00 5.12 3.00 -1.26 -3.41 118.16 119.52 2k50 n LYS 38 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2k50 n LYS 38 Cb 0.50 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.05 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 5.60 3.70 3.71 3.14 0.00 -1.26 -5.12 105.19 114.95 2k50 n GLY 39 Ca 0.42 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2k50 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k50 s ARG 40 N 0.00 2.51 0.04 1.61 0.52 -1.22 -5.06 118.95 117.35 2k50 s ARG 40 Ca 0.00 -1.29 -0.23 0.00 -0.52 0.00 0.00 55.73 53.68 2k50 s ARG 40 Cb 0.00 -2.30 -0.16 0.00 0.52 0.00 0.00 34.95 33.01 2k50 s ARG 40 CO 0.00 0.38 1.47 1.05 0.02 0.00 0.00 175.30 178.22 2k50 h GLU 41 N 1.75 0.10 -0.99 3.54 4.11 -1.91 -3.41 114.58 117.77 2k50 h GLU 41 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k50 h GLU 41 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k50 h GLU 41 CO 0.60 0.36 0.00 0.41 0.07 0.00 0.00 179.01 180.46 2k50 n GLY 42 N -0.31 -0.94 3.22 1.06 0.00 -1.26 -3.96 105.19 103.01 2k50 n GLY 42 Ca -0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.35 0.79 -0.13 1.61 1.02 -1.26 -0.74 119.74 119.68 2k50 s LYS 43 Ca 0.00 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.26 2k50 s LYS 43 Cb 0.00 0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.69 2k50 s LYS 43 CO 0.00 -0.25 0.32 -0.48 -0.92 0.00 0.00 175.35 174.02 2k50 s LEU 44 N -2.24 0.48 0.05 3.17 0.05 0.19 0.33 118.68 120.71 2k50 s LEU 44 Ca -0.03 0.67 0.09 0.00 0.05 0.00 0.00 54.13 54.91 2k50 s LEU 44 Cb 0.00 1.05 -0.03 0.00 -2.05 0.00 0.00 46.19 45.16 2k50 s LEU 44 CO -0.05 -0.14 -0.24 0.00 -0.55 0.00 0.00 176.35 175.36 2k50 s ALA 45 N 0.74 2.35 -0.35 1.48 0.00 0.92 -0.08 121.76 126.82 2k50 s ALA 45 Ca -0.05 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 2k50 s ALA 45 Cb -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2k50 s ALA 45 CO -0.05 0.54 0.16 -0.80 0.00 0.00 0.00 175.76 175.61 2k50 s ASN 46 N -1.34 5.52 -0.29 0.00 0.01 -1.23 -0.52 114.94 117.08 2k50 s ASN 46 Ca 0.13 -0.99 -0.06 0.00 -0.71 0.00 0.00 52.86 51.22 2k50 s ASN 46 Cb -0.10 -1.95 0.01 0.00 0.41 0.00 0.00 41.25 39.62 2k50 s ASN 46 CO 0.03 -0.33 0.07 -0.69 -1.51 0.00 0.00 177.10 174.66 2k50 s VAL 47 N 1.50 3.85 -0.48 1.60 1.01 0.04 -0.45 120.40 127.47 2k50 s VAL 47 Ca 0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2k50 s VAL 47 Cb -0.19 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.24 2k50 s VAL 47 CO 0.05 0.08 0.65 -0.63 0.00 0.00 0.00 175.10 175.25 2k50 s ILE 48 N 1.48 4.82 -0.06 2.22 -1.09 0.91 -0.27 121.20 129.20 2k50 s ILE 48 Ca 0.02 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.23 2k50 s ILE 48 Cb -0.17 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2k50 s ILE 48 CO 0.02 -0.74 0.03 0.27 -1.23 0.00 0.00 174.94 173.29 2k50 s ILE 49 N 2.80 4.52 -0.03 2.92 -4.36 -0.48 -0.75 121.20 125.82 2k50 s ILE 49 Ca 0.19 -0.28 0.07 0.00 -0.26 0.00 0.00 60.65 60.37 2k50 s ILE 49 Cb -0.17 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.56 2k50 s ILE 49 CO 0.15 0.52 -0.24 0.00 0.24 0.00 0.00 174.94 175.61 2k50 s ALA 50 N -1.00 2.23 0.34 2.27 0.00 0.10 0.19 121.76 125.90 2k50 s ALA 50 Ca 0.16 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.11 2k50 s ALA 50 Cb -0.12 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 2k50 s ALA 50 CO 0.06 0.51 -0.03 0.34 0.00 0.00 0.00 175.76 176.64 2k50 s ASP 51 N -0.53 3.29 0.63 0.00 2.15 0.44 -0.84 116.67 121.81 2k50 s ASP 51 Ca 0.07 -1.27 0.37 0.00 0.43 0.00 0.00 52.55 52.16 2k50 s ASP 51 Cb -0.11 -0.27 2.12 0.00 -0.30 0.00 0.00 42.92 44.36 2k50 s ASP 51 CO 0.00 -0.37 2.31 0.44 -0.17 0.00 0.00 175.17 177.38 2k50 h ASP 52 N 2.04 0.00 0.02 -0.34 3.32 -2.00 -1.74 116.42 117.72 2k50 h ASP 52 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2k50 h ASP 52 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2k50 h ASP 52 CO 0.72 0.00 -0.36 0.35 -1.72 0.00 0.00 179.24 178.24 2k50 n THR 53 N -3.46 0.00 0.00 0.35 -2.24 -1.26 -5.06 114.28 102.61 2k50 n THR 53 Ca -0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2k50 n THR 53 Cb 0.08 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 3.09 3.91 3.38 0.00 -0.66 -4.00 105.19 112.30 2k50 n GLY 54 Ca 0.11 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.17 2.97 0.01 1.61 8.01 -1.26 -0.42 118.70 127.45 2k50 s GLU 55 Ca 0.00 -1.10 0.01 0.00 0.01 0.00 0.00 54.97 53.89 2k50 s GLU 55 Cb 0.00 -2.65 -0.01 0.00 -4.31 0.00 0.00 34.13 27.16 2k50 s GLU 55 CO 0.00 0.17 -0.04 -1.17 0.01 0.00 0.00 175.26 174.23 2k50 s LEU 56 N -4.03 2.06 -0.58 1.80 2.96 0.13 -3.93 118.68 117.09 2k50 s LEU 56 Ca 0.40 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 53.95 2k50 s LEU 56 Cb -0.08 -0.17 0.10 0.00 0.50 0.00 0.00 46.19 46.55 2k50 s LEU 56 CO 0.28 -0.02 0.68 -0.60 -1.32 0.00 0.00 176.35 175.37 2k50 s ARG 57 N -0.43 3.04 -0.41 1.98 3.52 0.06 -1.38 118.95 125.33 2k50 s ARG 57 Ca -0.02 -1.32 -0.26 0.00 -0.13 0.00 0.00 55.73 54.00 2k50 s ARG 57 Cb -0.03 -4.26 0.02 0.00 -1.56 0.00 0.00 34.95 29.12 2k50 s ARG 57 CO -0.00 -1.50 0.96 0.00 -0.81 0.00 0.00 175.30 173.95 2k50 s ALA 58 N 2.58 3.31 -0.47 6.12 0.00 0.63 -0.59 121.76 133.35 2k50 s ALA 58 Ca 0.11 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2k50 s ALA 58 Cb -0.24 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.28 2k50 s ALA 58 CO 0.06 -1.85 0.61 0.08 0.00 0.00 0.00 175.76 174.66 2k50 s VAL 59 N 3.72 4.87 -0.54 0.00 1.01 0.24 -0.78 120.40 128.92 2k50 s VAL 59 Ca 0.39 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2k50 s VAL 59 Cb -0.11 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2k50 s VAL 59 CO 0.23 -0.67 0.72 -0.36 0.00 0.00 0.00 175.10 175.02 2k50 s PHE 60 N 2.67 2.97 0.80 5.22 0.40 0.32 -1.90 117.98 128.45 2k50 s PHE 60 Ca 0.18 -0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 2k50 s PHE 60 Cb -0.17 -3.77 0.07 0.00 0.51 0.00 0.00 43.02 39.66 2k50 s PHE 60 CO 0.15 -1.18 1.09 -1.58 0.70 0.00 0.00 175.22 174.40 2k50 s TRP 61 N 2.96 2.64 0.42 0.36 0.52 -1.26 -0.06 118.94 124.52 2k50 s TRP 61 Ca 0.17 1.38 0.30 0.00 0.02 0.00 0.00 56.10 57.98 2k50 s TRP 61 Cb -0.19 -3.06 1.42 0.00 -1.15 0.00 0.00 33.47 30.49 2k50 s TRP 61 CO 0.12 -1.86 1.50 -2.37 0.02 0.00 0.00 176.95 174.35 2k50 n THR 62 N -3.54 -0.26 0.15 2.01 5.66 0.15 0.89 114.28 119.34 2k50 n THR 62 Ca 0.08 1.75 -0.00 0.00 -3.05 0.00 0.00 64.05 62.83 2k50 n THR 62 Cb 0.54 -2.87 0.22 0.00 -1.55 0.00 0.00 70.33 66.67 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 0.00 -0.14 1.09 4.39 -1.90 -3.15 114.58 114.87 2k50 h GLU 63 Ca 0.84 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.54 2k50 h GLU 63 Cb 2.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.31 2k50 h GLU 63 CO -0.48 0.55 0.00 0.09 -1.16 0.00 0.00 179.01 178.01 2k50 n ASN 64 N -3.86 2.70 -0.20 1.42 4.13 0.26 -4.39 115.26 115.31 2k50 n ASN 64 Ca -0.01 -1.88 0.10 0.00 1.68 0.00 0.00 54.58 54.47 2k50 n ASN 64 Cb 0.56 -0.08 0.40 0.00 -1.54 0.00 0.00 39.78 39.13 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 3.94 0.91 -0.29 2.41 1.08 -1.40 -0.15 117.51 124.01 2k50 h ILE 65 Ca 0.00 -0.22 0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2k50 h ILE 65 Cb 0.85 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2k50 h ILE 65 CO 0.00 0.12 0.33 0.07 -0.69 0.00 0.00 178.15 177.98 2k50 h LYS 66 N 0.64 0.00 0.00 2.37 2.10 -1.82 -1.41 116.57 118.45 2k50 h LYS 66 Ca 0.36 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.95 2k50 h LYS 66 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2k50 h LYS 66 CO -0.13 0.00 -0.27 -0.07 -2.00 0.00 0.00 179.45 176.98 2k50 h LEU 67 N 0.00 0.00 -2.05 7.07 3.38 -1.34 -3.28 115.31 119.09 2k50 h LEU 67 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2k50 h LEU 67 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2k50 h LEU 67 CO -0.00 0.27 -0.04 -0.07 0.09 0.00 0.00 178.44 178.69 2k50 h LEU 68 N 0.00 0.00 -0.04 1.67 3.38 -1.38 -1.52 115.31 117.43 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 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k50 h LEU 68 CO 0.04 0.04 -0.03 2.29 0.09 0.00 0.00 178.44 180.87 2k50 n LYS 69 N -4.26 0.43 0.03 1.13 2.85 -1.24 -3.66 118.16 113.43 2k50 n LYS 69 Ca -0.03 -0.04 -0.19 0.00 -1.05 0.00 0.00 58.31 57.00 2k50 n LYS 69 Cb 0.13 -1.50 -0.11 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 0.09 0.52 -6.41 -1.58 1.57 -1.49 -3.47 116.57 105.80 2k50 h LYS 70 Ca 0.00 -0.58 -0.62 0.00 -1.87 0.00 0.00 60.65 57.58 2k50 h LYS 70 Cb 0.32 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.65 2k50 h LYS 70 CO 0.00 1.21 -0.76 -0.59 -0.57 0.00 0.00 179.45 178.74 2k50 s PHE 71 N -3.18 2.45 0.24 -1.35 -0.71 -1.24 -5.02 117.98 109.17 2k50 s PHE 71 Ca -0.12 -0.29 0.11 0.00 -1.04 0.00 0.00 56.93 55.58 2k50 s PHE 71 Cb 0.05 -1.15 -0.05 0.00 -1.21 0.00 0.00 43.02 40.66 2k50 s PHE 71 CO 0.86 0.57 -0.13 1.03 -1.34 0.00 0.00 175.22 176.22 2k50 s ARG 72 N -3.06 1.91 -0.77 1.99 0.52 -1.26 -4.94 118.95 113.34 2k50 s ARG 72 Ca 0.26 -1.52 -0.26 0.00 -0.52 0.00 0.00 55.73 53.69 2k50 s ARG 72 Cb -0.07 -1.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.32 2k50 s ARG 72 CO 0.14 0.37 2.26 -2.00 0.02 0.00 0.00 175.30 176.10 2k50 s GLU 73 N -3.26 1.96 0.00 3.54 2.12 -1.26 -1.79 118.70 120.01 2k50 s GLU 73 Ca 0.28 0.43 0.00 0.00 0.36 0.00 0.00 54.97 56.04 2k50 s GLU 73 Cb -0.07 -4.80 0.00 0.00 0.26 0.00 0.00 34.13 29.52 2k50 s GLU 73 CO 0.16 -3.93 0.00 0.41 -0.54 0.00 0.00 175.26 171.36 2k50 n GLY 74 N 6.65 0.54 1.81 -1.50 0.00 -0.66 -4.97 105.19 107.05 2k50 n GLY 74 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.17 -4.10 1.61 8.00 -0.74 -4.68 116.55 116.80 2k50 n ASP 75 Ca 0.00 -1.29 -0.31 0.00 0.71 0.00 0.00 54.79 53.90 2k50 n ASP 75 Cb 0.00 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.49 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 -2.14 1.79 0.09 2.53 1.01 -1.26 0.34 120.40 122.76 2k50 s VAL 76 Ca 0.34 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2k50 s VAL 76 Cb -0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2k50 s VAL 76 CO 0.24 0.50 -0.26 0.27 0.00 0.00 0.00 175.10 175.84 2k50 s ILE 77 N 1.02 2.16 -0.26 2.22 -4.36 -0.66 -0.44 121.20 120.88 2k50 s ILE 77 Ca -0.04 -1.58 -0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2k50 s ILE 77 Cb -0.15 -1.89 0.03 0.00 1.25 0.00 0.00 42.46 41.70 2k50 s ILE 77 CO -0.04 0.20 -0.04 -0.60 0.24 0.00 0.00 174.94 174.69 2k50 s ARG 78 N -1.69 2.79 -0.19 0.37 3.52 0.47 -1.53 118.95 122.69 2k50 s ARG 78 Ca 0.12 -1.01 -0.12 0.00 -0.13 0.00 0.00 55.73 54.59 2k50 s ARG 78 Cb -0.10 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 2k50 s ARG 78 CO 0.04 -0.43 0.23 0.42 -0.81 0.00 0.00 175.30 174.74 2k50 s ILE 79 N 1.32 5.34 -0.23 4.11 1.01 0.11 -0.99 121.20 131.88 2k50 s ILE 79 Ca -0.01 0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 2k50 s ILE 79 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2k50 s ILE 79 CO -0.04 0.39 0.12 -0.75 0.00 0.00 0.00 174.94 174.66 2k50 s LYS 80 N 0.59 3.96 -0.20 2.79 2.20 -0.61 -0.33 119.74 128.13 2k50 s LYS 80 Ca 0.13 -0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2k50 s LYS 80 Cb -0.12 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 2k50 s LYS 80 CO 0.02 0.05 0.00 -0.25 -0.36 0.00 0.00 175.35 174.82 2k50 n ASP 81 N 4.26 -5.94 -4.10 1.43 8.00 -1.26 -4.00 116.55 114.94 2k50 n ASP 81 Ca -0.16 0.95 -0.07 0.00 0.71 0.00 0.00 54.79 56.22 2k50 n ASP 81 Cb 0.52 -3.85 -0.10 0.00 -0.02 0.00 0.00 41.12 37.67 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 -1.07 0.27 -0.26 2.53 -7.23 -1.03 -4.46 120.40 109.16 2k50 s VAL 82 Ca -0.00 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2k50 s VAL 82 Cb 0.00 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 2k50 s VAL 82 CO 0.52 -0.97 0.13 0.20 -0.31 0.00 0.00 175.10 174.66 2k50 s ASN 83 N -2.94 5.65 -0.50 4.85 0.02 -0.91 -1.43 114.94 119.69 2k50 s ASN 83 Ca 0.08 -0.07 -0.28 0.00 -1.02 0.00 0.00 52.86 51.57 2k50 s ASN 83 Cb 0.08 -2.03 0.03 0.00 0.02 0.00 0.00 41.25 39.35 2k50 s ASN 83 CO -0.09 -0.02 1.12 -0.63 0.02 0.00 0.00 177.10 177.50 2k50 s ILE 84 N 1.54 4.20 -0.39 0.60 -1.09 -0.48 -1.35 121.20 124.23 2k50 s ILE 84 Ca 0.06 1.05 0.23 0.00 -2.23 0.00 0.00 60.65 59.76 2k50 s ILE 84 Cb -0.15 -4.61 0.21 0.00 -1.58 0.00 0.00 42.46 36.33 2k50 s ILE 84 CO 0.07 -1.07 1.42 0.03 -1.23 0.00 0.00 174.94 174.16 2k50 h ARG 85 N 9.29 0.00 -2.48 2.79 2.47 -1.57 0.15 114.38 125.03 2k50 h ARG 85 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 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 0.00 0.00 0.41 0.56 0.00 0.00 179.97 182.07 2k50 n GLY 86 N 1.15 -1.56 3.65 0.04 0.00 -1.25 -4.70 105.19 102.52 2k50 n GLY 86 Ca 0.03 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.35 1.49 0.25 -0.02 0.00 -1.26 -4.84 107.32 102.59 2k50 s GLY 87 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.31 2k50 s GLY 87 CO 0.00 2.79 1.65 -2.75 0.00 0.00 0.00 173.10 174.79 2k50 h PHE 88 N 9.29 0.53 0.00 1.90 3.57 -1.94 -3.37 116.94 126.92 2k50 h PHE 88 Ca -0.32 -0.14 -0.68 0.00 3.53 0.00 0.00 57.97 60.35 2k50 h PHE 88 Cb 1.14 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2k50 h PHE 88 CO 0.86 0.77 3.07 0.41 -2.23 0.00 0.00 178.31 181.19 2k50 n GLY 89 N -0.13 4.03 5.12 2.40 0.00 -1.26 -4.79 105.19 110.57 2k50 n GLY 89 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 4.09 1.15 3.72 -0.02 0.00 -1.26 -4.82 105.19 108.05 2k50 n GLY 90 Ca 0.55 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 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 4.53 0.76 1.61 0.52 -1.26 -4.97 118.95 120.14 2k50 s ARG 91 Ca 0.00 1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 56.30 2k50 s ARG 91 Cb 0.00 -3.43 0.19 0.00 0.52 0.00 0.00 34.95 32.22 2k50 s ARG 91 CO 0.00 0.06 0.73 1.63 0.02 0.00 0.00 175.30 177.74 2k50 n LYS 92 N 3.59 -2.10 -3.72 3.54 5.02 -1.25 -4.10 118.16 119.13 2k50 n LYS 92 Ca 0.02 -1.16 -0.13 0.00 -2.02 0.00 0.00 58.31 55.02 2k50 n LYS 92 Cb 0.51 -1.02 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 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 -4.64 0.54 -0.14 1.97 -1.05 -1.26 -0.76 118.70 113.35 2k50 s GLU 93 Ca 0.46 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 2k50 s GLU 93 Cb -0.04 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.93 2k50 s GLU 93 CO 0.35 -0.08 -0.14 0.00 0.95 0.00 0.00 175.26 176.34 2k50 s ALA 94 N -0.01 1.79 -0.14 -0.84 0.00 0.24 -1.40 121.76 121.40 2k50 s ALA 94 Ca -0.02 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2k50 s ALA 94 Cb -0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2k50 s ALA 94 CO 0.01 -0.36 0.36 -1.01 0.00 0.00 0.00 175.76 174.76 2k50 s HIS 95 N 1.48 3.49 0.73 0.00 3.76 -0.46 -0.59 115.29 123.69 2k50 s HIS 95 Ca 0.04 0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 55.58 2k50 s HIS 95 Cb -0.13 -2.41 0.07 0.00 1.11 0.00 0.00 32.58 31.22 2k50 s HIS 95 CO -0.10 0.23 1.05 -0.51 -0.85 0.00 0.00 174.74 174.57 2k50 s LEU 96 N 0.45 2.74 0.14 0.89 1.02 -0.80 -2.13 118.68 121.00 2k50 s LEU 96 Ca 0.20 0.53 0.08 0.00 0.02 0.00 0.00 54.13 54.96 2k50 s LEU 96 Cb -0.14 -3.14 -0.04 0.00 0.02 0.00 0.00 46.19 42.89 2k50 s LEU 96 CO 0.06 -1.67 -0.19 -0.04 0.02 0.00 0.00 176.35 174.53 2k50 s MET 97 N -5.33 1.20 0.53 1.70 -1.94 -1.26 -4.76 119.30 109.44 2k50 s MET 97 Ca 0.61 -1.31 0.37 0.00 -1.71 0.00 0.00 55.69 53.64 2k50 s MET 97 Cb -0.11 -1.31 1.54 0.00 2.01 0.00 0.00 34.83 36.96 2k50 s MET 97 CO 0.46 0.28 1.75 -1.35 -0.01 0.00 0.00 175.02 176.14 2k50 h PRO 98 N 3.54 0.04 0.00 2.03 0.11 -1.97 0.16 132.00 135.91 2k50 h PRO 98 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k50 h PRO 98 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k50 h PRO 98 CO 0.47 0.03 -1.34 0.54 -0.21 0.00 0.00 178.00 177.49 2k50 n ARG 99 N -4.21 0.28 -1.93 1.05 1.74 -1.26 -4.82 116.66 107.50 2k50 n ARG 99 Ca 0.30 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.89 2k50 n ARG 99 Cb 1.37 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 31.28 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 -3.51 6.58 0.36 0.55 0.01 0.56 -5.02 113.70 113.24 2k50 s SER 100 Ca 0.02 2.66 0.08 0.00 1.31 0.00 0.00 55.95 60.03 2k50 s SER 100 Cb 0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2k50 s SER 100 CO 0.87 -0.81 0.15 0.42 0.41 0.00 0.00 173.24 174.29 2k50 s THR 101 N 0.76 2.78 0.09 1.44 -4.23 -1.26 -4.79 115.64 110.42 2k50 s THR 101 Ca 0.67 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.55 2k50 s THR 101 Cb -0.44 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 2k50 s THR 101 CO 0.36 -0.13 -0.22 0.68 -0.54 0.00 0.00 174.62 174.77 2k50 s VAL 102 N -2.48 1.76 -0.04 2.29 -7.23 -1.26 -1.58 120.40 111.86 2k50 s VAL 102 Ca 0.39 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 2k50 s VAL 102 Cb -0.01 -1.58 0.03 0.00 0.56 0.00 0.00 36.38 35.38 2k50 s VAL 102 CO 0.22 0.04 0.01 -1.83 -0.31 0.00 0.00 175.10 173.24 2k50 s GLU 103 N -1.69 0.31 0.21 4.82 -1.05 -0.16 -4.96 118.70 116.18 2k50 s GLU 103 Ca 0.08 0.15 -0.30 0.00 -0.15 0.00 0.00 54.97 54.75 2k50 s GLU 103 Cb -0.10 -0.63 -0.08 0.00 -0.44 0.00 0.00 34.13 32.88 2k50 s GLU 103 CO 0.04 -0.22 1.02 0.14 0.95 0.00 0.00 175.26 177.18 2k50 s VAL 104 N 1.54 3.96 0.31 1.83 -7.23 -1.26 -0.40 120.40 119.16 2k50 s VAL 104 Ca -0.02 1.84 0.07 0.00 -1.81 0.00 0.00 61.98 62.06 2k50 s VAL 104 Cb -0.13 -4.17 -0.03 0.00 0.56 0.00 0.00 36.38 32.61 2k50 s VAL 104 CO -0.03 0.39 0.25 -0.76 -0.31 0.00 0.00 175.10 174.63 2k50 s LEU 105 N -0.85 3.62 0.00 1.32 1.43 0.41 -2.31 118.68 122.30 2k50 s LEU 105 Ca 0.45 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2k50 s LEU 105 Cb -0.28 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2k50 s LEU 105 CO 0.34 -0.26 0.00 -0.67 0.23 0.00 0.00 176.35 176.00 2k50 n ASP 106 N -1.29 0.00 -3.21 2.29 2.03 -1.26 -4.40 116.55 110.71 2k50 n ASP 106 Ca -0.04 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.07 2k50 n ASP 106 Cb 0.59 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 2k50 n ASP 106 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k50 n PRO 107 N 0.00 1.22 -1.68 -0.67 -0.04 -1.26 -4.94 135.00 127.63 2k50 n PRO 107 Ca 0.00 -1.19 -0.46 0.00 -0.04 0.00 0.00 63.50 61.82 2k50 n PRO 107 Cb 0.00 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.04 2k50 n PRO 107 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k50 n LEU 108 N 5.27 3.54 -0.09 1.53 -0.00 -1.26 -4.84 117.00 121.14 2k50 n LEU 108 Ca 0.32 1.01 -0.10 0.00 -0.00 0.00 0.00 56.01 57.24 2k50 n LEU 108 Cb 0.15 -1.45 -0.11 0.00 -0.00 0.00 0.00 43.42 42.01 2k50 n LEU 108 CO 0.73 -0.05 -1.07 -1.84 -0.00 0.00 0.00 177.39 175.16 2k50 n GLU 109 N 5.28 1.09 0.00 1.96 0.28 -0.98 -5.03 120.64 123.26 2k50 n GLU 109 Ca 0.19 0.04 0.01 0.00 -0.16 0.00 0.00 57.16 57.23 2k50 n GLU 109 Cb 0.32 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.79 2k50 n GLU 109 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69