#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 2.26 -0.64 0.03 -2.85 -1.26 -5.05 119.74 112.23 2k50 s LYS 2 Ca 0.00 -2.79 -0.27 0.00 -1.00 0.00 0.00 55.97 51.91 2k50 s LYS 2 Cb 0.00 -3.46 0.02 0.00 -2.06 0.00 0.00 37.83 32.33 2k50 s LYS 2 CO 0.00 -1.16 1.37 -1.25 0.10 0.00 0.00 175.35 174.41 2k50 s PRO 3 N -0.54 3.23 0.19 1.78 0.04 -1.26 -5.01 135.00 133.43 2k50 s PRO 3 Ca 0.19 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.11 2k50 s PRO 3 Cb -0.20 -4.15 -0.08 0.00 0.04 0.00 0.00 34.50 30.11 2k50 s PRO 3 CO -0.04 -2.06 0.97 -2.00 0.04 0.00 0.00 177.00 173.91 2k50 s GLU 4 N 5.66 4.77 0.00 4.56 2.56 -1.26 -4.93 118.70 130.06 2k50 s GLU 4 Ca 0.46 1.51 0.00 0.00 0.00 0.00 0.00 54.97 56.94 2k50 s GLU 4 Cb -0.09 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.73 2k50 s GLU 4 CO 0.21 0.37 0.08 0.72 -0.56 0.00 0.00 175.26 176.08 2k50 n HIS 5 N 1.97 0.00 0.01 5.30 8.25 -1.26 -4.98 115.22 124.51 2k50 n HIS 5 Ca -0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k50 n HIS 5 Cb 0.48 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 2k50 n HIS 5 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k50 n ARG 6 N -0.13 0.01 -2.78 -0.41 5.12 -1.26 -5.00 116.66 112.22 2k50 n ARG 6 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 2k50 n ARG 6 Cb 0.10 -0.16 -0.04 0.00 -1.16 0.00 0.00 32.46 31.20 2k50 n ARG 6 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2k50 s MET 7 N -1.19 3.75 0.71 5.56 1.75 -1.26 -5.04 119.30 123.58 2k50 s MET 7 Ca -0.01 0.48 -0.04 0.00 -1.25 0.00 0.00 55.69 54.87 2k50 s MET 7 Cb 0.00 -3.85 0.10 0.00 2.84 0.00 0.00 34.83 33.92 2k50 s MET 7 CO 0.01 -1.08 1.00 -0.51 -0.65 0.00 0.00 175.02 173.79 2k50 s ASP 8 N 2.06 4.52 0.55 1.11 1.01 -1.26 -5.02 116.67 119.63 2k50 s ASP 8 Ca 0.39 0.06 0.08 0.00 0.71 0.00 0.00 52.55 53.79 2k50 s ASP 8 Cb -0.11 -0.58 0.06 0.00 1.01 0.00 0.00 42.92 43.30 2k50 s ASP 8 CO 0.22 -1.75 0.62 0.42 0.21 0.00 0.00 175.17 174.90 2k50 s THR 9 N -3.20 2.06 0.39 -1.27 -4.23 -1.26 -4.73 115.64 103.39 2k50 s THR 9 Ca 0.64 -1.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.04 2k50 s THR 9 Cb -0.08 -2.24 0.18 0.00 1.34 0.00 0.00 72.50 71.70 2k50 s THR 9 CO 0.44 0.00 1.94 0.40 -0.54 0.00 0.00 174.62 176.87 2k50 h ILE 10 N 0.45 1.16 -0.02 2.99 2.04 -1.88 -1.51 117.51 120.73 2k50 h ILE 10 Ca -0.33 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2k50 h ILE 10 Cb 1.29 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2k50 h ILE 10 CO 0.47 0.21 0.02 -1.28 0.00 0.00 0.00 178.15 177.58 2k50 h SER 11 N 0.31 0.00 0.32 1.72 0.87 -1.93 -1.86 113.55 112.97 2k50 h SER 11 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2k50 h SER 11 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k50 h SER 11 CO 0.01 0.00 -0.13 0.29 -0.53 0.00 0.00 176.83 176.47 2k50 n LYS 12 N -4.30 0.76 -2.51 2.24 4.76 -0.57 -4.91 118.16 113.64 2k50 n LYS 12 Ca -0.02 -0.31 -0.38 0.00 -2.87 0.00 0.00 58.31 54.73 2k50 n LYS 12 Cb 0.11 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.45 4.35 0.02 -0.35 1.43 -0.70 -4.98 118.68 116.00 2k50 s LEU 13 Ca 0.29 2.15 -0.18 0.00 -1.03 0.00 0.00 54.13 55.36 2k50 s LEU 13 Cb 0.20 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.55 2k50 s LEU 13 CO 0.47 -0.32 0.40 -0.70 0.23 0.00 0.00 176.35 176.44 2k50 s GLU 14 N -1.97 0.86 0.08 1.70 2.12 -1.26 -5.04 118.70 115.19 2k50 s GLU 14 Ca 0.51 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 55.28 2k50 s GLU 14 Cb -0.27 0.38 -0.10 0.00 0.26 0.00 0.00 34.13 34.40 2k50 s GLU 14 CO 0.34 -0.28 1.91 -0.85 -0.54 0.00 0.00 175.26 175.85 2k50 n GLU 15 N 0.77 2.86 0.00 4.30 0.28 -1.26 -1.53 120.64 126.06 2k50 n GLU 15 Ca -0.19 1.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.85 2k50 n GLU 15 Cb 0.58 -2.97 0.00 0.00 1.43 0.00 0.00 31.44 30.48 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 4.40 2.15 3.74 -1.84 0.00 0.27 -4.99 105.19 108.92 2k50 n GLY 16 Ca 0.19 0.00 -0.40 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 -2.55 3.35 -0.32 4.61 0.00 -0.58 -4.87 121.76 121.39 2k50 s ALA 17 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 2k50 s ALA 17 Cb 0.00 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.11 2k50 s ALA 17 CO 0.00 0.06 0.06 -2.00 0.00 0.00 0.00 175.76 173.88 2k50 s GLU 18 N -0.14 2.51 0.03 0.00 2.12 -1.26 -1.43 118.70 120.53 2k50 s GLU 18 Ca 0.40 -1.25 -0.16 0.00 0.36 0.00 0.00 54.97 54.32 2k50 s GLU 18 Cb -0.21 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 30.87 2k50 s GLU 18 CO 0.25 -0.66 0.36 -0.08 -0.54 0.00 0.00 175.26 174.59 2k50 s THR 19 N 1.32 0.06 0.45 -1.70 -1.32 -0.78 -4.86 115.64 108.82 2k50 s THR 19 Ca -0.03 -0.53 -0.25 0.00 -1.21 0.00 0.00 61.69 59.68 2k50 s THR 19 Cb -0.20 -0.88 -0.08 0.00 -1.51 0.00 0.00 72.50 69.83 2k50 s THR 19 CO 0.01 -0.29 1.36 -2.16 -2.21 0.00 0.00 174.62 171.32 2k50 s PRO 20 N -2.23 3.72 0.19 7.08 0.04 -1.26 -2.76 135.00 139.78 2k50 s PRO 20 Ca -0.07 2.26 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2k50 s PRO 20 Cb -0.02 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2k50 s PRO 20 CO -0.01 -0.74 -0.18 0.14 0.04 0.00 0.00 177.00 176.25 2k50 s VAL 21 N -1.26 1.94 0.04 -0.36 -7.23 0.71 -4.63 120.40 109.61 2k50 s VAL 21 Ca 0.61 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2k50 s VAL 21 Cb -0.40 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2k50 s VAL 21 CO 0.51 -0.38 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.93 2k50 s THR 22 N -2.30 0.82 0.00 5.32 2.01 -1.26 -0.63 115.64 119.60 2k50 s THR 22 Ca 0.20 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2k50 s THR 22 Cb -0.05 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.68 2k50 s THR 22 CO 0.08 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2k50 n GLY 23 N 1.88 1.26 3.67 4.40 0.00 -0.93 -4.66 105.19 110.81 2k50 n GLY 23 Ca -0.19 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 4.23 0.12 1.61 0.52 0.32 -1.85 118.95 121.91 2k50 s ARG 24 Ca 0.00 0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 55.53 2k50 s ARG 24 Cb 0.00 -3.56 -0.10 0.00 0.52 0.00 0.00 34.95 31.81 2k50 s ARG 24 CO 0.00 -0.20 1.73 0.08 0.02 0.00 0.00 175.30 176.93 2k50 s VAL 25 N 1.78 2.65 -0.20 3.52 1.01 0.41 -0.26 120.40 129.30 2k50 s VAL 25 Ca 0.29 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 2k50 s VAL 25 Cb -0.16 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2k50 s VAL 25 CO 0.11 0.00 -0.35 0.80 0.00 0.00 0.00 175.10 175.67 2k50 n MET 26 N 5.27 0.53 -4.23 2.72 1.56 -0.28 -3.18 117.12 119.52 2k50 n MET 26 Ca 0.16 0.22 -0.17 0.00 -0.27 0.00 0.00 57.70 57.65 2k50 n MET 26 Cb 0.39 -1.43 -0.13 0.00 2.15 0.00 0.00 33.22 34.19 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 -2.79 0.64 -0.10 2.12 -0.14 -0.69 -4.58 119.74 114.20 2k50 s LYS 27 Ca -0.31 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 2k50 s LYS 27 Cb 0.07 -0.58 0.00 0.00 -1.68 0.00 0.00 37.83 35.65 2k50 s LYS 27 CO 0.44 0.14 -0.22 0.42 -0.76 0.00 0.00 175.35 175.37 2k50 s ILE 28 N -0.64 1.93 -0.05 2.17 1.01 -1.26 0.06 121.20 124.42 2k50 s ILE 28 Ca -0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 2k50 s ILE 28 Cb -0.06 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2k50 s ILE 28 CO 0.00 0.53 0.12 -0.44 0.00 0.00 0.00 174.94 175.15 2k50 s SER 29 N 0.49 6.04 0.67 3.58 0.01 -0.19 -5.01 113.70 119.29 2k50 s SER 29 Ca -0.16 0.30 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 2k50 s SER 29 Cb -0.17 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.22 2k50 s SER 29 CO 0.06 0.32 1.19 -0.44 0.41 0.00 0.00 173.24 174.78 2k50 s SER 30 N -1.50 4.69 0.42 2.44 0.01 -1.26 -3.96 113.70 114.55 2k50 s SER 30 Ca 0.21 2.31 -0.26 0.00 1.31 0.00 0.00 55.95 59.52 2k50 s SER 30 Cb -0.12 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 2k50 s SER 30 CO 0.11 -1.92 1.38 -2.16 0.41 0.00 0.00 173.24 171.06 2k50 s PRO 31 N -3.73 3.86 -0.25 12.44 0.04 -1.26 -4.58 135.00 141.51 2k50 s PRO 31 Ca 0.74 2.33 -0.09 0.00 0.04 0.00 0.00 61.00 64.03 2k50 s PRO 31 Cb -0.28 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 2k50 s PRO 31 CO 0.40 -0.65 0.12 0.50 0.04 0.00 0.00 177.00 177.42 2k50 s ARG 32 N -2.31 3.87 -0.08 4.56 3.52 0.83 -4.88 118.95 124.46 2k50 s ARG 32 Ca 0.58 -0.37 -0.22 0.00 -0.13 0.00 0.00 55.73 55.58 2k50 s ARG 32 Cb -0.42 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 2k50 s ARG 32 CO 0.54 -0.08 0.66 0.99 -0.81 0.00 0.00 175.30 176.61 2k50 s THR 33 N 1.38 5.07 0.04 4.11 2.01 -1.26 -1.17 115.64 125.82 2k50 s THR 33 Ca 0.06 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.43 2k50 s THR 33 Cb -0.15 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2k50 s THR 33 CO 0.06 0.26 -0.07 0.72 -0.69 0.00 0.00 174.62 174.91 2k50 s PHE 34 N 0.78 0.57 -0.50 4.92 -0.12 0.52 -4.95 117.98 119.20 2k50 s PHE 34 Ca 0.35 -0.51 -0.25 0.00 -0.05 0.00 0.00 56.93 56.48 2k50 s PHE 34 Cb -0.17 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 41.90 2k50 s PHE 34 CO 0.17 -0.11 0.94 0.99 -0.05 0.00 0.00 175.22 177.16 2k50 s THR 35 N -1.40 4.43 0.11 -4.49 2.01 -1.26 -3.68 115.64 111.36 2k50 s THR 35 Ca -0.11 0.59 0.05 0.00 0.31 0.00 0.00 61.69 62.53 2k50 s THR 35 Cb -0.10 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2k50 s THR 35 CO 0.00 -0.95 0.02 0.28 -0.69 0.00 0.00 174.62 173.28 2k50 s THR 36 N 3.87 4.03 -2.10 -0.82 -1.32 -1.26 -5.02 115.64 113.02 2k50 s THR 36 Ca 0.35 -1.07 0.21 0.00 -1.21 0.00 0.00 61.69 59.96 2k50 s THR 36 Cb -0.11 -2.96 0.53 0.00 -1.51 0.00 0.00 72.50 68.46 2k50 s THR 36 CO 0.24 0.05 1.70 -2.11 -2.21 0.00 0.00 174.62 172.29 2k50 n ARG 37 N 0.34 1.24 0.22 7.08 0.00 -1.26 -3.64 116.66 120.64 2k50 n ARG 37 Ca -0.10 -0.36 0.07 0.00 -0.00 0.00 0.00 57.85 57.45 2k50 n ARG 37 Cb 0.53 -1.34 0.51 0.00 -0.00 0.00 0.00 32.46 32.16 2k50 n ARG 37 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2k50 h LYS 38 N 0.75 0.00 0.00 2.89 1.63 -2.01 -3.46 116.57 116.36 2k50 h LYS 38 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k50 h LYS 38 Cb 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2k50 h LYS 38 CO 0.00 0.24 0.00 0.41 -3.45 0.00 0.00 179.45 176.65 2k50 n GLY 39 N -0.57 1.90 3.90 5.01 0.00 -1.24 -5.11 105.19 109.09 2k50 n GLY 39 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.31 3.31 0.56 1.61 0.52 -1.26 -4.98 118.95 118.39 2k50 s ARG 40 Ca 0.00 0.21 0.23 0.00 -0.52 0.00 0.00 55.73 55.65 2k50 s ARG 40 Cb 0.00 -2.29 1.53 0.00 0.52 0.00 0.00 34.95 34.71 2k50 s ARG 40 CO 0.00 -0.46 2.17 1.05 0.02 0.00 0.00 175.30 178.08 2k50 h GLU 41 N -0.02 0.00 -1.48 3.54 4.11 -1.92 -3.39 114.58 115.43 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 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k50 h GLU 41 CO 0.61 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.10 2k50 n GLY 42 N -1.45 -2.68 3.37 1.06 0.00 -1.24 -4.20 105.19 100.03 2k50 n GLY 42 Ca -0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.29 0.84 -0.03 1.61 1.02 -1.26 -0.35 119.74 119.28 2k50 s LYS 43 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 2k50 s LYS 43 Cb 0.00 0.39 0.02 0.00 -0.52 0.00 0.00 37.83 37.72 2k50 s LYS 43 CO 0.00 -0.24 0.07 -0.48 -0.92 0.00 0.00 175.35 173.77 2k50 s LEU 44 N -1.22 1.24 -0.03 3.17 0.05 -0.32 0.78 118.68 122.36 2k50 s LEU 44 Ca -0.12 0.13 0.07 0.00 0.05 0.00 0.00 54.13 54.26 2k50 s LEU 44 Cb -0.03 0.13 -0.02 0.00 -2.05 0.00 0.00 46.19 44.22 2k50 s LEU 44 CO 0.07 -0.09 -0.24 0.00 -0.55 0.00 0.00 176.35 175.54 2k50 s ALA 45 N 0.72 2.26 -0.35 1.48 0.00 0.28 -0.12 121.76 126.03 2k50 s ALA 45 Ca -0.06 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 2k50 s ALA 45 Cb -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.43 2k50 s ALA 45 CO -0.03 0.53 0.16 -0.80 0.00 0.00 0.00 175.76 175.63 2k50 s ASN 46 N -0.61 5.56 -0.25 0.00 0.01 -1.25 -0.55 114.94 117.84 2k50 s ASN 46 Ca 0.10 -0.95 -0.07 0.00 -0.71 0.00 0.00 52.86 51.22 2k50 s ASN 46 Cb -0.10 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 2k50 s ASN 46 CO -0.01 -0.33 0.06 -0.69 -1.51 0.00 0.00 177.10 174.62 2k50 s VAL 47 N 1.52 4.13 -0.45 1.60 1.01 -0.08 -1.02 120.40 127.10 2k50 s VAL 47 Ca 0.01 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2k50 s VAL 47 Cb -0.19 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2k50 s VAL 47 CO 0.05 0.31 0.58 -0.63 0.00 0.00 0.00 175.10 175.42 2k50 s ILE 48 N 1.58 4.91 0.23 2.22 -1.09 0.11 -0.16 121.20 129.00 2k50 s ILE 48 Ca 0.06 -0.19 0.07 0.00 -2.23 0.00 0.00 60.65 58.36 2k50 s ILE 48 Cb -0.15 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2k50 s ILE 48 CO 0.02 -0.61 0.16 0.27 -1.23 0.00 0.00 174.94 173.55 2k50 s ILE 49 N 2.59 4.36 -0.08 2.92 -4.36 -0.21 -1.12 121.20 125.29 2k50 s ILE 49 Ca 0.18 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 2k50 s ILE 49 Cb -0.16 -3.32 0.02 0.00 1.25 0.00 0.00 42.46 40.24 2k50 s ILE 49 CO 0.16 -0.30 -0.10 0.00 0.24 0.00 0.00 174.94 174.94 2k50 s ALA 50 N -2.06 1.21 0.39 2.27 0.00 0.64 -0.93 121.76 123.28 2k50 s ALA 50 Ca 0.32 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.95 2k50 s ALA 50 Cb -0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 2k50 s ALA 50 CO 0.24 -0.08 0.08 0.34 0.00 0.00 0.00 175.76 176.34 2k50 s ASP 51 N 1.05 4.21 0.12 0.00 2.15 0.67 -0.52 116.67 124.35 2k50 s ASP 51 Ca -0.08 -1.12 0.11 0.00 0.43 0.00 0.00 52.55 51.90 2k50 s ASP 51 Cb -0.15 -0.48 0.55 0.00 -0.30 0.00 0.00 42.92 42.54 2k50 s ASP 51 CO -0.01 -0.42 1.35 0.47 -0.17 0.00 0.00 175.17 176.39 2k50 n ASP 52 N -1.08 0.24 -0.04 -0.34 9.92 -1.26 -2.00 116.55 121.99 2k50 n ASP 52 Ca -0.03 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 2k50 n ASP 52 Cb 0.64 -0.63 0.01 0.00 -0.64 0.00 0.00 41.12 40.50 2k50 n ASP 52 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2k50 n THR 53 N -1.80 0.80 0.00 -3.53 -2.24 -1.26 -5.10 114.28 101.15 2k50 n THR 53 Ca 0.00 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 2k50 n THR 53 Cb 0.06 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.33 3.23 3.97 3.38 0.00 -0.84 -3.99 105.19 110.60 2k50 n GLY 54 Ca 0.01 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.09 3.02 -0.07 1.61 8.01 -1.26 -0.24 118.70 127.68 2k50 s GLU 55 Ca 0.00 -1.09 -0.16 0.00 0.01 0.00 0.00 54.97 53.74 2k50 s GLU 55 Cb 0.00 -2.75 0.03 0.00 -4.31 0.00 0.00 34.13 27.10 2k50 s GLU 55 CO 0.00 0.04 0.38 -1.17 0.01 0.00 0.00 175.26 174.51 2k50 s LEU 56 N -4.16 0.57 -0.46 1.80 2.96 -0.11 -4.48 118.68 114.80 2k50 s LEU 56 Ca 0.45 0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 54.63 2k50 s LEU 56 Cb -0.09 1.42 0.05 0.00 0.50 0.00 0.00 46.19 48.07 2k50 s LEU 56 CO 0.30 -0.34 0.44 -0.60 -1.32 0.00 0.00 176.35 174.84 2k50 s ARG 57 N -0.70 3.04 -0.31 1.98 3.52 0.19 -1.04 118.95 125.63 2k50 s ARG 57 Ca -0.08 -1.07 -0.26 0.00 -0.13 0.00 0.00 55.73 54.19 2k50 s ARG 57 Cb -0.04 -4.07 0.01 0.00 -1.56 0.00 0.00 34.95 29.29 2k50 s ARG 57 CO 0.03 -1.00 0.93 0.00 -0.81 0.00 0.00 175.30 174.46 2k50 s ALA 58 N 1.98 3.53 -0.43 6.12 0.00 0.78 -0.22 121.76 133.52 2k50 s ALA 58 Ca 0.08 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2k50 s ALA 58 Cb -0.21 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.46 2k50 s ALA 58 CO 0.10 -1.31 0.40 0.08 0.00 0.00 0.00 175.76 175.03 2k50 s VAL 59 N 3.28 5.14 -0.53 0.00 1.01 0.30 -0.90 120.40 128.69 2k50 s VAL 59 Ca 0.39 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 2k50 s VAL 59 Cb -0.13 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.29 2k50 s VAL 59 CO 0.13 -0.42 0.68 -0.36 0.00 0.00 0.00 175.10 175.13 2k50 s PHE 60 N 1.97 3.00 0.73 5.22 0.40 0.29 -1.94 117.98 127.65 2k50 s PHE 60 Ca 0.09 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 2k50 s PHE 60 Cb -0.18 -3.70 0.03 0.00 0.51 0.00 0.00 43.02 39.67 2k50 s PHE 60 CO 0.12 -1.13 1.08 -1.58 0.70 0.00 0.00 175.22 174.40 2k50 s TRP 61 N 2.80 3.09 0.57 0.36 0.52 -1.26 -0.56 118.94 124.47 2k50 s TRP 61 Ca 0.16 1.26 0.34 0.00 0.02 0.00 0.00 56.10 57.87 2k50 s TRP 61 Cb -0.20 -2.98 1.15 0.00 -1.15 0.00 0.00 33.47 30.30 2k50 s TRP 61 CO 0.11 -1.37 1.35 -2.37 0.02 0.00 0.00 176.95 174.69 2k50 n THR 62 N -3.19 0.00 -0.03 2.01 5.66 0.23 0.12 114.28 119.09 2k50 n THR 62 Ca 0.07 1.30 -0.15 0.00 -3.05 0.00 0.00 64.05 62.22 2k50 n THR 62 Cb 0.55 -2.27 -0.09 0.00 -1.55 0.00 0.00 70.33 66.96 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 0.38 -0.16 1.09 4.39 -1.90 -3.34 114.58 115.03 2k50 h GLU 63 Ca 0.63 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2k50 h GLU 63 Cb 3.14 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.86 2k50 h GLU 63 CO -0.01 0.97 0.00 0.09 -1.16 0.00 0.00 179.01 178.90 2k50 n ASN 64 N -4.36 1.91 0.02 1.42 4.13 0.33 -4.03 115.26 114.67 2k50 n ASN 64 Ca -0.09 -1.72 0.21 0.00 1.68 0.00 0.00 54.58 54.66 2k50 n ASN 64 Cb 0.54 -0.10 0.73 0.00 -1.54 0.00 0.00 39.78 39.41 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 2.61 0.54 -0.47 2.41 1.08 -1.38 0.50 117.51 122.79 2k50 h ILE 65 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 2k50 h ILE 65 Cb 0.57 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2k50 h ILE 65 CO 0.00 0.00 0.37 0.07 -0.69 0.00 0.00 178.15 177.90 2k50 h LYS 66 N 0.00 0.00 0.00 2.37 2.10 -1.85 -2.37 116.57 116.81 2k50 h LYS 66 Ca 0.24 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.84 2k50 h LYS 66 Cb 1.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2k50 h LYS 66 CO -0.00 0.00 -0.34 -0.07 -2.00 0.00 0.00 179.45 177.04 2k50 h LEU 67 N 0.00 0.00 -2.10 7.07 3.38 -1.21 -3.31 115.31 119.14 2k50 h LEU 67 Ca 0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2k50 h LEU 67 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k50 h LEU 67 CO -0.00 0.22 0.03 -0.07 0.09 0.00 0.00 178.44 178.71 2k50 h LEU 68 N 0.00 0.00 0.00 1.67 3.38 -1.54 -1.51 115.31 117.30 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 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k50 h LEU 68 CO 0.03 0.00 -0.03 2.29 0.09 0.00 0.00 178.44 180.82 2k50 n LYS 69 N -4.38 0.13 0.03 1.13 2.85 -1.25 -4.17 118.16 112.50 2k50 n LYS 69 Ca -0.02 0.10 -0.09 0.00 -1.05 0.00 0.00 58.31 57.25 2k50 n LYS 69 Cb 0.13 -1.65 -0.07 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 -0.16 -6.30 -1.58 1.57 -1.49 -3.47 116.57 105.14 2k50 h LYS 70 Ca 0.00 0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 2k50 h LYS 70 Cb 0.62 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2k50 h LYS 70 CO 0.00 0.26 -0.21 -0.59 -0.57 0.00 0.00 179.45 178.34 2k50 s PHE 71 N -2.89 1.64 0.34 -1.35 -0.71 -1.26 -5.15 117.98 108.60 2k50 s PHE 71 Ca -0.11 -0.75 0.04 0.00 -1.04 0.00 0.00 56.93 55.07 2k50 s PHE 71 Cb -0.00 -2.09 -0.06 0.00 -1.21 0.00 0.00 43.02 39.66 2k50 s PHE 71 CO 0.41 -0.77 0.06 1.03 -1.34 0.00 0.00 175.22 174.61 2k50 s ARG 72 N -4.45 1.71 -0.72 1.99 0.52 -1.26 -4.98 118.95 111.76 2k50 s ARG 72 Ca 0.49 -1.96 -0.26 0.00 -0.52 0.00 0.00 55.73 53.47 2k50 s ARG 72 Cb -0.04 -0.90 -0.01 0.00 0.52 0.00 0.00 34.95 34.52 2k50 s ARG 72 CO 0.30 -0.21 1.69 -2.00 0.02 0.00 0.00 175.30 175.10 2k50 s GLU 73 N -3.87 2.84 0.00 3.54 2.12 -1.26 -2.89 118.70 119.18 2k50 s GLU 73 Ca 0.35 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2k50 s GLU 73 Cb 0.08 -4.49 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2k50 s GLU 73 CO 0.15 -2.63 0.00 0.41 -0.54 0.00 0.00 175.26 172.66 2k50 n GLY 74 N 5.85 0.93 3.90 -1.50 0.00 -1.19 -4.99 105.19 108.19 2k50 n GLY 74 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 4.11 -0.24 1.61 1.01 -1.14 -4.60 116.67 117.42 2k50 s ASP 75 Ca 0.00 0.67 -0.10 0.00 0.71 0.00 0.00 52.55 53.83 2k50 s ASP 75 Cb 0.00 -1.07 -0.05 0.00 1.01 0.00 0.00 42.92 42.81 2k50 s ASP 75 CO 0.00 -2.14 0.16 -0.69 0.21 0.00 0.00 175.17 172.70 2k50 s VAL 76 N -3.63 5.33 0.30 -1.27 1.01 -1.26 -0.45 120.40 120.42 2k50 s VAL 76 Ca 0.65 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.87 2k50 s VAL 76 Cb -0.10 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 2k50 s VAL 76 CO 0.50 0.35 -0.07 0.27 0.00 0.00 0.00 175.10 176.15 2k50 s ILE 77 N 1.04 1.82 -0.16 2.22 -4.36 -0.77 -0.94 121.20 120.04 2k50 s ILE 77 Ca 0.07 -2.15 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 2k50 s ILE 77 Cb -0.13 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2k50 s ILE 77 CO 0.04 -0.28 0.15 -0.60 0.24 0.00 0.00 174.94 174.50 2k50 s ARG 78 N -3.69 0.10 -0.21 0.37 3.52 0.23 -2.18 118.95 117.10 2k50 s ARG 78 Ca 0.30 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.95 2k50 s ARG 78 Cb 0.03 -1.28 -0.05 0.00 -1.56 0.00 0.00 34.95 32.09 2k50 s ARG 78 CO 0.13 -0.59 0.16 0.42 -0.81 0.00 0.00 175.30 174.61 2k50 s ILE 79 N 2.24 5.38 -0.22 4.11 1.01 0.20 -1.51 121.20 132.41 2k50 s ILE 79 Ca 0.04 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 2k50 s ILE 79 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2k50 s ILE 79 CO -0.10 0.40 0.14 -0.75 0.00 0.00 0.00 174.94 174.64 2k50 s LYS 80 N 0.58 4.09 -0.25 2.79 2.20 -0.91 -0.21 119.74 128.03 2k50 s LYS 80 Ca 0.09 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.43 2k50 s LYS 80 Cb -0.12 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2k50 s LYS 80 CO 0.01 0.15 0.01 -0.25 -0.36 0.00 0.00 175.35 174.91 2k50 n ASP 81 N 3.99 -6.72 -4.19 1.43 8.00 -1.26 -4.12 116.55 113.68 2k50 n ASP 81 Ca -0.15 1.22 -0.11 0.00 0.71 0.00 0.00 54.79 56.45 2k50 n ASP 81 Cb 0.52 -4.67 -0.10 0.00 -0.02 0.00 0.00 41.12 36.85 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 -1.33 0.60 -0.28 2.53 -7.23 -1.11 -4.50 120.40 109.08 2k50 s VAL 82 Ca -0.01 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.12 2k50 s VAL 82 Cb 0.00 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 2k50 s VAL 82 CO 0.67 -0.67 0.14 0.20 -0.31 0.00 0.00 175.10 175.12 2k50 s ASN 83 N -3.09 5.59 -0.24 4.85 0.02 -0.64 -1.86 114.94 119.56 2k50 s ASN 83 Ca 0.18 -0.21 -0.22 0.00 -1.02 0.00 0.00 52.86 51.59 2k50 s ASN 83 Cb 0.06 -2.02 -0.02 0.00 0.02 0.00 0.00 41.25 39.29 2k50 s ASN 83 CO -0.01 -0.08 0.70 -0.63 0.02 0.00 0.00 177.10 177.09 2k50 s ILE 84 N 1.67 4.94 -0.28 0.60 -1.09 -0.51 -0.80 121.20 125.73 2k50 s ILE 84 Ca 0.06 1.29 0.23 0.00 -2.23 0.00 0.00 60.65 59.99 2k50 s ILE 84 Cb -0.16 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2k50 s ILE 84 CO 0.07 0.00 1.00 0.54 -1.23 0.00 0.00 174.94 175.33 2k50 n ARG 85 N 5.73 0.56 0.00 2.79 5.12 -0.87 -0.56 116.66 129.42 2k50 n ARG 85 Ca 0.01 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2k50 n ARG 85 Cb 0.49 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 1.22 2.00 3.47 -0.13 0.00 -1.25 -4.47 105.19 106.03 2k50 n GLY 86 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 -1.00 3.55 -0.02 0.00 -1.26 -4.05 105.19 100.41 2k50 n GLY 87 Ca 0.00 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.44 1.38 0.00 1.61 5.36 -1.26 -1.88 117.98 119.74 2k50 s PHE 88 Ca 0.42 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 2k50 s PHE 88 Cb -0.10 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2k50 s PHE 88 CO 0.80 -2.28 0.00 0.41 -1.46 0.00 0.00 175.22 172.68 2k50 n GLY 89 N 6.03 1.03 0.00 13.12 0.00 -1.26 -5.06 105.19 119.05 2k50 n GLY 89 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2k50 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k50 n GLY 90 N 0.00 1.17 3.86 -0.02 0.00 -0.79 -5.15 105.19 104.26 2k50 n GLY 90 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 2.83 3.94 0.91 1.61 0.52 -1.26 -4.94 118.95 122.55 2k50 s ARG 91 Ca 0.00 0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 55.60 2k50 s ARG 91 Cb 0.00 -2.60 0.13 0.00 0.52 0.00 0.00 34.95 33.01 2k50 s ARG 91 CO 0.00 0.27 1.12 0.15 0.02 0.00 0.00 175.30 176.86 2k50 s LYS 92 N -2.75 1.19 0.00 3.54 1.02 -1.26 -4.16 119.74 117.33 2k50 s LYS 92 Ca 0.49 0.43 -0.04 0.00 0.02 0.00 0.00 55.97 56.87 2k50 s LYS 92 Cb -0.11 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 2k50 s LYS 92 CO 0.19 -2.19 0.07 -1.83 -0.92 0.00 0.00 175.35 170.67 2k50 s GLU 93 N -5.18 0.37 -0.10 1.68 -1.05 -1.26 -0.64 118.70 112.53 2k50 s GLU 93 Ca 0.63 -0.41 -0.01 0.00 -0.15 0.00 0.00 54.97 55.03 2k50 s GLU 93 Cb -0.16 0.15 0.03 0.00 -0.44 0.00 0.00 34.13 33.71 2k50 s GLU 93 CO 0.54 -0.08 -0.03 0.00 0.95 0.00 0.00 175.26 176.65 2k50 s ALA 94 N -1.22 1.00 -0.14 -0.84 0.00 0.69 -2.05 121.76 119.19 2k50 s ALA 94 Ca -0.13 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 2k50 s ALA 94 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2k50 s ALA 94 CO 0.00 -0.47 0.46 -1.01 0.00 0.00 0.00 175.76 174.75 2k50 s HIS 95 N 1.85 3.47 0.28 0.00 3.76 0.02 -0.54 115.29 124.13 2k50 s HIS 95 Ca 0.05 0.82 -0.13 0.00 -0.15 0.00 0.00 55.06 55.65 2k50 s HIS 95 Cb -0.13 -2.55 -0.08 0.00 1.11 0.00 0.00 32.58 30.93 2k50 s HIS 95 CO -0.07 0.11 0.66 -0.51 -0.85 0.00 0.00 174.74 174.08 2k50 s LEU 96 N 0.84 4.11 0.28 0.89 1.02 -0.82 -1.63 118.68 123.38 2k50 s LEU 96 Ca 0.24 1.13 0.09 0.00 0.02 0.00 0.00 54.13 55.62 2k50 s LEU 96 Cb -0.15 -3.90 -0.04 0.00 0.02 0.00 0.00 46.19 42.12 2k50 s LEU 96 CO 0.09 -0.14 0.04 -0.04 0.02 0.00 0.00 176.35 176.32 2k50 s MET 97 N -2.89 2.35 0.38 1.70 -1.94 -1.26 -4.58 119.30 113.05 2k50 s MET 97 Ca 0.51 -1.43 0.20 0.00 -1.71 0.00 0.00 55.69 53.27 2k50 s MET 97 Cb -0.11 -2.18 1.23 0.00 2.01 0.00 0.00 34.83 35.78 2k50 s MET 97 CO 0.19 0.32 1.64 -1.35 -0.01 0.00 0.00 175.02 175.81 2k50 h PRO 98 N 1.80 0.19 0.00 2.03 0.11 -1.98 0.23 132.00 134.38 2k50 h PRO 98 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2k50 h PRO 98 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k50 h PRO 98 CO 0.61 0.13 -0.41 0.54 -0.21 0.00 0.00 178.00 178.66 2k50 n ARG 99 N -4.98 0.02 -2.14 1.05 1.74 -1.26 -4.87 116.66 106.22 2k50 n ARG 99 Ca 0.34 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 57.00 2k50 n ARG 99 Cb 1.16 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 31.06 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 -3.10 6.67 0.35 0.55 0.01 0.81 -5.02 113.70 113.98 2k50 s SER 100 Ca 0.11 1.95 0.07 0.00 1.31 0.00 0.00 55.95 59.40 2k50 s SER 100 Cb 0.17 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2k50 s SER 100 CO 0.67 -0.96 0.33 0.42 0.41 0.00 0.00 173.24 174.10 2k50 s THR 101 N 4.18 3.41 -0.03 1.44 -4.23 -1.26 -4.82 115.64 114.32 2k50 s THR 101 Ca 0.68 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 2k50 s THR 101 Cb -0.28 -3.16 -0.00 0.00 1.34 0.00 0.00 72.50 70.39 2k50 s THR 101 CO 0.26 -0.14 -0.15 0.68 -0.54 0.00 0.00 174.62 174.73 2k50 s VAL 102 N -2.33 1.25 0.15 2.29 -7.23 -1.26 -2.14 120.40 111.13 2k50 s VAL 102 Ca 0.43 -0.62 0.09 0.00 -1.81 0.00 0.00 61.98 60.06 2k50 s VAL 102 Cb -0.06 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2k50 s VAL 102 CO 0.27 0.36 -0.19 -1.83 -0.31 0.00 0.00 175.10 173.40 2k50 s GLU 103 N 0.02 1.27 -0.05 4.82 -1.05 -0.57 -4.95 118.70 118.19 2k50 s GLU 103 Ca -0.02 -1.37 -0.10 0.00 -0.15 0.00 0.00 54.97 53.33 2k50 s GLU 103 Cb -0.10 -1.39 -0.05 0.00 -0.44 0.00 0.00 34.13 32.15 2k50 s GLU 103 CO 0.01 0.29 0.27 0.14 0.95 0.00 0.00 175.26 176.92 2k50 s VAL 104 N -1.84 5.28 0.46 1.83 -7.23 -1.26 0.78 120.40 118.42 2k50 s VAL 104 Ca 0.14 0.46 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 2k50 s VAL 104 Cb -0.07 -3.55 0.03 0.00 0.56 0.00 0.00 36.38 33.36 2k50 s VAL 104 CO 0.06 0.56 0.29 0.18 -0.31 0.00 0.00 175.10 175.88 2k50 n LEU 105 N 1.77 0.00 0.00 1.32 4.77 -0.11 -3.76 117.00 120.99 2k50 n LEU 105 Ca -0.16 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 2k50 n LEU 105 Cb 0.54 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2k50 n LEU 105 CO 0.35 -0.51 0.00 0.47 -1.33 0.00 0.00 177.39 176.37 2k50 n ASP 106 N -1.76 0.00 -4.38 -1.43 8.00 -1.26 -4.49 116.55 111.23 2k50 n ASP 106 Ca -0.04 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.21 2k50 n ASP 106 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2k50 n PRO 107 N 0.00 0.68 -1.71 -0.24 -0.02 -1.26 -4.92 135.00 127.52 2k50 n PRO 107 Ca 0.00 -1.88 -0.42 0.00 -2.02 0.00 0.00 63.50 59.18 2k50 n PRO 107 Cb 0.00 -3.63 -0.03 0.00 -0.02 0.00 0.00 33.50 29.82 2k50 n PRO 107 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k50 s LEU 108 N 12.11 4.26 0.45 2.45 2.01 -1.26 -4.87 118.68 133.83 2k50 s LEU 108 Ca 0.74 2.48 0.24 0.00 0.01 0.00 0.00 54.13 57.60 2k50 s LEU 108 Cb 0.00 -3.53 0.45 0.00 0.01 0.00 0.00 46.19 43.13 2k50 s LEU 108 CO 0.19 -1.18 1.65 -0.33 1.01 0.00 0.00 176.35 177.68 2k50 h GLU 109 N 11.17 0.00 -0.03 1.70 4.39 -1.92 -3.51 114.58 126.38 2k50 h GLU 109 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 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 0.95 0.01 0.00 0.72 -1.16 0.00 0.00 179.01 179.52