#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 0.35 -0.05 3.17 2.20 -1.26 -5.14 119.74 119.01 2k50 s LYS 2 Ca 0.00 -0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 54.78 2k50 s LYS 2 Cb 0.00 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.29 2k50 s LYS 2 CO 0.00 -1.08 0.66 -1.25 -0.36 0.00 0.00 175.35 173.32 2k50 s PRO 3 N 1.90 4.41 0.21 4.03 0.04 -1.26 -5.09 135.00 139.24 2k50 s PRO 3 Ca 0.12 0.81 0.09 0.00 0.04 0.00 0.00 61.00 62.06 2k50 s PRO 3 Cb -0.17 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2k50 s PRO 3 CO -0.25 0.16 -0.07 -1.21 0.04 0.00 0.00 177.00 175.67 2k50 s GLU 4 N 0.49 2.12 -0.29 4.56 2.02 -1.26 -5.12 118.70 121.21 2k50 s GLU 4 Ca 0.35 -1.32 -0.02 0.00 0.02 0.00 0.00 54.97 54.00 2k50 s GLU 4 Cb -0.18 -2.15 0.09 0.00 0.10 0.00 0.00 34.13 31.99 2k50 s GLU 4 CO 0.17 0.41 0.10 -1.58 0.02 0.00 0.00 175.26 174.38 2k50 s HIS 5 N -1.89 1.32 -0.49 1.61 5.65 -1.26 -5.02 115.29 115.21 2k50 s HIS 5 Ca 0.27 -1.44 0.06 0.00 0.25 0.00 0.00 55.06 54.20 2k50 s HIS 5 Cb -0.08 -1.45 0.18 0.00 -1.18 0.00 0.00 32.58 30.05 2k50 s HIS 5 CO 0.16 -0.83 0.62 0.50 -0.65 0.00 0.00 174.74 174.54 2k50 s ARG 6 N 1.75 1.02 -0.02 2.88 3.52 -1.26 -4.97 118.95 121.88 2k50 s ARG 6 Ca 0.08 -1.34 0.01 0.00 -0.13 0.00 0.00 55.73 54.35 2k50 s ARG 6 Cb -0.17 -0.43 0.02 0.00 -1.56 0.00 0.00 34.95 32.81 2k50 s ARG 6 CO -0.26 -1.34 0.43 0.00 -0.81 0.00 0.00 175.30 173.32 2k50 n MET 7 N 2.95 0.06 -1.25 5.12 0.00 -1.26 -5.08 117.12 117.67 2k50 n MET 7 Ca 0.21 -0.38 -0.31 0.00 0.00 0.00 0.00 57.70 57.23 2k50 n MET 7 Cb 0.54 0.46 0.11 0.00 0.00 0.00 0.00 33.22 34.32 2k50 n MET 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2k50 s ASP 8 N -0.37 4.15 0.56 3.17 1.11 -1.26 -5.08 116.67 118.95 2k50 s ASP 8 Ca 0.00 1.68 0.08 0.00 0.18 0.00 0.00 52.55 54.50 2k50 s ASP 8 Cb 0.02 -2.38 0.07 0.00 1.07 0.00 0.00 42.92 41.70 2k50 s ASP 8 CO -0.01 -2.24 0.62 0.42 1.18 0.00 0.00 175.17 175.14 2k50 s THR 9 N -2.92 1.89 0.24 -1.27 -4.23 -1.26 -4.84 115.64 103.25 2k50 s THR 9 Ca 0.62 -1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 2k50 s THR 9 Cb -0.17 -2.12 0.23 0.00 1.34 0.00 0.00 72.50 71.78 2k50 s THR 9 CO 0.56 0.00 1.89 0.40 -0.54 0.00 0.00 174.62 176.93 2k50 h ILE 10 N 0.43 1.16 -0.37 2.99 2.04 -1.86 -0.02 117.51 121.86 2k50 h ILE 10 Ca -0.33 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2k50 h ILE 10 Cb 1.30 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2k50 h ILE 10 CO 0.48 0.21 0.25 -1.28 0.00 0.00 0.00 178.15 177.81 2k50 h SER 11 N 1.15 0.43 1.45 1.72 0.87 -1.91 -2.69 113.55 114.58 2k50 h SER 11 Ca 0.36 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.80 2k50 h SER 11 Cb -0.01 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2k50 h SER 11 CO -0.12 0.31 -0.51 0.11 -0.53 0.00 0.00 176.83 176.10 2k50 h LYS 12 N 0.50 0.00 -5.64 2.24 1.79 -1.39 -3.45 116.57 110.62 2k50 h LYS 12 Ca 0.14 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.10 2k50 h LYS 12 Cb -0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2k50 h LYS 12 CO -0.03 0.51 1.61 1.28 -1.08 0.00 0.00 179.45 181.74 2k50 n LEU 13 N -3.24 2.23 -4.89 2.94 4.77 -0.60 -4.93 117.00 113.28 2k50 n LEU 13 Ca 0.02 -0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 2k50 n LEU 13 Cb 0.73 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.30 2k50 n LEU 13 CO 0.40 -1.26 0.19 -0.70 -1.33 0.00 0.00 177.39 174.70 2k50 s GLU 14 N 7.85 3.71 0.38 3.23 2.12 -1.26 -4.98 118.70 129.75 2k50 s GLU 14 Ca 1.04 0.12 -0.28 0.00 0.36 0.00 0.00 54.97 56.21 2k50 s GLU 14 Cb -0.39 -2.67 -0.11 0.00 0.26 0.00 0.00 34.13 31.23 2k50 s GLU 14 CO 0.32 0.29 1.47 -1.83 -0.54 0.00 0.00 175.26 174.97 2k50 s GLU 15 N -3.12 4.09 0.00 4.30 -1.05 -1.26 -2.54 118.70 119.11 2k50 s GLU 15 Ca 0.45 2.54 0.00 0.00 -0.15 0.00 0.00 54.97 57.81 2k50 s GLU 15 Cb -0.11 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 2k50 s GLU 15 CO 0.25 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.34 2k50 n GLY 16 N 0.48 0.81 3.86 -3.83 0.00 0.85 -5.01 105.19 102.36 2k50 n GLY 16 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2k50 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k50 s ALA 17 N -3.21 3.74 -0.35 4.61 0.00 -1.05 -4.91 121.76 120.59 2k50 s ALA 17 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 2k50 s ALA 17 Cb 0.00 -2.25 0.05 0.00 0.00 0.00 0.00 23.12 20.92 2k50 s ALA 17 CO 0.00 0.56 0.11 -2.00 0.00 0.00 0.00 175.76 174.44 2k50 s GLU 18 N -1.68 2.54 0.04 0.00 2.12 -1.26 -1.21 118.70 119.26 2k50 s GLU 18 Ca 0.29 -1.27 -0.18 0.00 0.36 0.00 0.00 54.97 54.18 2k50 s GLU 18 Cb -0.14 -3.46 0.04 0.00 0.26 0.00 0.00 34.13 30.82 2k50 s GLU 18 CO 0.16 -0.72 0.41 -0.08 -0.54 0.00 0.00 175.26 174.49 2k50 s THR 19 N 1.36 0.06 0.43 -1.70 -1.32 -0.29 -4.85 115.64 109.32 2k50 s THR 19 Ca -0.01 -0.46 -0.25 0.00 -1.21 0.00 0.00 61.69 59.76 2k50 s THR 19 Cb -0.20 -0.95 -0.08 0.00 -1.51 0.00 0.00 72.50 69.76 2k50 s THR 19 CO 0.02 -0.26 1.23 -2.16 -2.21 0.00 0.00 174.62 171.24 2k50 s PRO 20 N -2.47 3.87 0.23 7.08 0.04 -1.26 -1.65 135.00 140.84 2k50 s PRO 20 Ca -0.05 1.98 0.09 0.00 0.04 0.00 0.00 61.00 63.06 2k50 s PRO 20 Cb -0.01 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 2k50 s PRO 20 CO -0.02 -0.51 -0.17 0.14 0.04 0.00 0.00 177.00 176.48 2k50 s VAL 21 N -1.37 2.00 0.03 -0.36 -7.23 0.75 -4.80 120.40 109.42 2k50 s VAL 21 Ca 0.60 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2k50 s VAL 21 Cb -0.34 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 2k50 s VAL 21 CO 0.42 -0.51 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.73 2k50 s THR 22 N -2.75 0.64 -0.28 5.32 2.01 -1.26 -0.32 115.64 119.01 2k50 s THR 22 Ca 0.25 -0.85 -0.34 0.00 0.31 0.00 0.00 61.69 61.05 2k50 s THR 22 Cb -0.03 -0.64 0.17 0.00 0.01 0.00 0.00 72.50 72.02 2k50 s THR 22 CO 0.10 -0.17 1.36 -0.83 -0.69 0.00 0.00 174.62 174.38 2k50 s GLY 23 N -1.13 -0.08 -0.14 4.40 0.00 -1.03 -4.77 107.32 104.57 2k50 s GLY 23 Ca -0.04 2.31 -0.20 0.00 0.00 0.00 0.00 44.72 46.78 2k50 s GLY 23 CO 0.00 0.84 0.58 0.50 0.00 0.00 0.00 173.10 175.02 2k50 s ARG 24 N -1.61 4.30 0.05 2.90 0.52 -0.64 -2.06 118.95 122.41 2k50 s ARG 24 Ca 0.10 0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 55.59 2k50 s ARG 24 Cb -0.01 -3.50 -0.07 0.00 0.52 0.00 0.00 34.95 31.89 2k50 s ARG 24 CO -0.05 -0.03 1.54 0.08 0.02 0.00 0.00 175.30 176.86 2k50 s VAL 25 N 1.22 3.29 -0.04 3.52 1.01 0.59 -0.81 120.40 129.17 2k50 s VAL 25 Ca 0.29 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 2k50 s VAL 25 Cb -0.16 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2k50 s VAL 25 CO 0.12 0.00 -0.12 0.80 0.00 0.00 0.00 175.10 175.90 2k50 n MET 26 N 5.37 0.20 -4.67 2.72 1.56 -0.68 -3.17 117.12 118.45 2k50 n MET 26 Ca 0.15 0.08 -0.23 0.00 -0.27 0.00 0.00 57.70 57.43 2k50 n MET 26 Cb 0.42 -0.84 -0.15 0.00 2.15 0.00 0.00 33.22 34.80 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 -2.25 1.18 -0.15 2.12 -0.14 -1.14 -4.67 119.74 114.68 2k50 s LYS 27 Ca -0.12 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 2k50 s LYS 27 Cb 0.03 -1.15 0.02 0.00 -1.68 0.00 0.00 37.83 35.06 2k50 s LYS 27 CO 0.16 0.31 -0.14 0.42 -0.76 0.00 0.00 175.35 175.34 2k50 s ILE 28 N -0.38 1.62 0.13 2.17 1.01 -1.26 -0.38 121.20 124.10 2k50 s ILE 28 Ca 0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 2k50 s ILE 28 Cb -0.06 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.82 2k50 s ILE 28 CO -0.00 0.44 0.51 -0.55 0.00 0.00 0.00 174.94 175.34 2k50 s SER 29 N 1.46 6.77 0.49 3.58 0.15 -0.02 -5.02 113.70 121.11 2k50 s SER 29 Ca 0.05 0.99 -0.23 0.00 0.70 0.00 0.00 55.95 57.46 2k50 s SER 29 Cb -0.13 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.86 2k50 s SER 29 CO -0.11 0.12 1.27 -0.94 1.20 0.00 0.00 173.24 174.78 2k50 s SER 30 N -1.75 5.76 -0.26 5.45 1.04 -1.26 -3.93 113.70 118.75 2k50 s SER 30 Ca 0.37 2.55 -0.38 0.00 0.48 0.00 0.00 55.95 58.97 2k50 s SER 30 Cb -0.15 -2.62 -0.14 0.00 0.10 0.00 0.00 66.02 63.21 2k50 s SER 30 CO 0.19 -1.21 1.87 -0.81 0.98 0.00 0.00 173.24 174.25 2k50 n PRO 31 N -0.68 1.33 -3.26 4.02 -0.04 -1.26 -4.65 135.00 130.46 2k50 n PRO 31 Ca 0.08 0.47 -0.40 0.00 -0.04 0.00 0.00 63.50 63.61 2k50 n PRO 31 Cb 0.46 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.22 3.87 0.16 0.54 3.52 0.93 -4.83 118.95 127.36 2k50 s ARG 32 Ca 1.00 0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 56.40 2k50 s ARG 32 Cb -0.97 -3.72 -0.08 0.00 -1.56 0.00 0.00 34.95 28.63 2k50 s ARG 32 CO 0.60 -0.47 0.82 0.99 -0.81 0.00 0.00 175.30 176.44 2k50 s THR 33 N 2.31 4.36 0.05 4.11 2.01 -1.26 -0.33 115.64 126.89 2k50 s THR 33 Ca 0.19 1.80 -0.06 0.00 0.31 0.00 0.00 61.69 63.93 2k50 s THR 33 Cb -0.16 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 2k50 s THR 33 CO 0.11 0.49 0.12 0.72 -0.69 0.00 0.00 174.62 175.36 2k50 s PHE 34 N -0.95 0.22 -0.40 4.92 -0.12 0.26 -4.93 117.98 116.99 2k50 s PHE 34 Ca 0.38 -0.58 -0.25 0.00 -0.05 0.00 0.00 56.93 56.43 2k50 s PHE 34 Cb -0.23 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.03 2k50 s PHE 34 CO 0.27 -0.43 0.88 0.99 -0.05 0.00 0.00 175.22 176.89 2k50 s THR 35 N -3.16 4.59 0.09 -4.49 2.01 -1.26 -3.60 115.64 109.82 2k50 s THR 35 Ca -0.00 0.93 -0.00 0.00 0.31 0.00 0.00 61.69 62.92 2k50 s THR 35 Cb 0.02 -4.33 0.02 0.00 0.01 0.00 0.00 72.50 68.21 2k50 s THR 35 CO -0.07 -0.62 0.12 1.07 -0.69 0.00 0.00 174.62 174.43 2k50 n THR 36 N 6.08 0.00 0.34 -0.82 5.66 -1.26 -5.03 114.28 119.25 2k50 n THR 36 Ca 0.05 -0.16 -0.18 0.00 -3.05 0.00 0.00 64.05 60.71 2k50 n THR 36 Cb 0.48 -1.46 -0.09 0.00 -1.55 0.00 0.00 70.33 67.71 2k50 n THR 36 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2k50 h ARG 37 N 0.00 -1.00 -1.16 1.09 3.08 -1.96 -3.48 114.38 110.96 2k50 h ARG 37 Ca -0.04 0.07 0.28 0.00 0.07 0.00 0.00 59.98 60.36 2k50 h ARG 37 Cb 0.14 0.23 -0.23 0.00 0.08 0.00 0.00 29.97 30.19 2k50 h ARG 37 CO 0.04 -0.67 0.92 -1.59 -1.07 0.00 0.00 179.97 177.61 2k50 s LYS 38 N -5.92 0.11 0.00 0.04 -2.85 -1.26 -5.08 119.74 104.78 2k50 s LYS 38 Ca -0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.77 2k50 s LYS 38 Cb 0.04 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 2k50 s LYS 38 CO 0.61 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.42 2k50 n GLY 39 N 0.17 2.07 3.83 0.59 0.00 -1.26 -5.01 105.19 105.58 2k50 n GLY 39 Ca 0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 3.03 0.08 1.61 0.52 -1.26 -5.01 118.95 117.92 2k50 s ARG 40 Ca 0.00 -0.82 0.14 0.00 -0.52 0.00 0.00 55.73 54.54 2k50 s ARG 40 Cb 0.00 -2.72 0.63 0.00 0.52 0.00 0.00 34.95 33.38 2k50 s ARG 40 CO 0.00 0.49 1.45 -0.85 0.02 0.00 0.00 175.30 176.41 2k50 n GLU 41 N -0.46 0.05 -0.98 3.54 0.28 -1.26 -4.57 120.64 117.25 2k50 n GLU 41 Ca -0.08 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2k50 n GLU 41 Cb 0.55 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.80 2k50 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k50 n GLY 42 N -0.36 -4.21 3.34 -1.84 0.00 -1.24 -4.00 105.19 96.88 2k50 n GLY 42 Ca 0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.42 0.87 -0.08 1.61 1.02 -1.26 -0.57 119.74 118.91 2k50 s LYS 43 Ca 0.00 -0.16 -0.05 0.00 0.02 0.00 0.00 55.97 55.78 2k50 s LYS 43 Cb 0.00 0.39 0.03 0.00 -0.52 0.00 0.00 37.83 37.74 2k50 s LYS 43 CO 0.00 -0.28 0.19 -0.48 -0.92 0.00 0.00 175.35 173.87 2k50 s LEU 44 N -1.60 0.80 0.15 3.17 0.05 0.55 0.79 118.68 122.59 2k50 s LEU 44 Ca -0.09 0.40 0.11 0.00 0.05 0.00 0.00 54.13 54.59 2k50 s LEU 44 Cb -0.02 0.58 -0.04 0.00 -2.05 0.00 0.00 46.19 44.66 2k50 s LEU 44 CO 0.03 -0.13 -0.23 0.00 -0.55 0.00 0.00 176.35 175.47 2k50 s ALA 45 N 0.86 2.53 -0.25 1.48 0.00 0.12 -0.05 121.76 126.44 2k50 s ALA 45 Ca -0.06 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2k50 s ALA 45 Cb -0.08 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.65 2k50 s ALA 45 CO -0.05 0.51 -0.10 -0.80 0.00 0.00 0.00 175.76 175.32 2k50 s ASN 46 N -2.32 4.34 -0.20 0.00 0.01 -1.25 -0.31 114.94 115.20 2k50 s ASN 46 Ca 0.18 -1.26 -0.05 0.00 -0.71 0.00 0.00 52.86 51.02 2k50 s ASN 46 Cb -0.09 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 2k50 s ASN 46 CO 0.09 -0.17 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.80 2k50 s VAL 47 N 1.16 3.80 -0.44 1.60 1.01 0.08 -0.84 120.40 126.76 2k50 s VAL 47 Ca -0.06 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 2k50 s VAL 47 Cb -0.19 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2k50 s VAL 47 CO -0.05 0.43 0.58 -0.63 0.00 0.00 0.00 175.10 175.43 2k50 s ILE 48 N 1.04 4.91 -0.05 2.22 -1.09 0.49 -0.67 121.20 128.05 2k50 s ILE 48 Ca 0.02 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.33 2k50 s ILE 48 Cb -0.14 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 2k50 s ILE 48 CO 0.01 -0.57 0.02 0.27 -1.23 0.00 0.00 174.94 173.45 2k50 s ILE 49 N 2.59 4.39 -0.07 2.92 -4.36 -0.88 -1.69 121.20 124.10 2k50 s ILE 49 Ca 0.19 -0.36 0.05 0.00 -0.26 0.00 0.00 60.65 60.27 2k50 s ILE 49 Cb -0.16 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.64 2k50 s ILE 49 CO 0.17 0.49 -0.24 0.00 0.24 0.00 0.00 174.94 175.60 2k50 s ALA 50 N -1.00 2.19 0.15 2.27 0.00 0.01 -1.02 121.76 124.36 2k50 s ALA 50 Ca 0.17 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2k50 s ALA 50 Cb -0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2k50 s ALA 50 CO 0.07 0.37 -0.00 0.34 0.00 0.00 0.00 175.76 176.53 2k50 s ASP 51 N 0.01 1.02 0.65 0.00 2.15 -0.43 -1.61 116.67 118.45 2k50 s ASP 51 Ca -0.09 -1.14 0.42 0.00 0.43 0.00 0.00 52.55 52.18 2k50 s ASP 51 Cb -0.15 0.15 2.25 0.00 -0.30 0.00 0.00 42.92 44.86 2k50 s ASP 51 CO 0.05 -0.58 2.31 0.44 -0.17 0.00 0.00 175.17 177.23 2k50 h ASP 52 N 2.80 0.00 0.01 -0.34 5.19 -2.00 -0.57 116.42 121.50 2k50 h ASP 52 Ca -0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2k50 h ASP 52 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2k50 h ASP 52 CO 0.63 0.00 -0.06 0.35 -3.12 0.00 0.00 179.24 177.04 2k50 n THR 53 N -3.13 0.00 0.00 0.35 -2.24 -1.26 -5.04 114.28 102.96 2k50 n THR 53 Ca -0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2k50 n THR 53 Cb 0.11 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 3.49 3.76 3.38 0.00 -0.22 -3.38 105.19 113.49 2k50 n GLY 54 Ca 0.16 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.29 3.22 -0.01 1.61 8.01 -1.26 -1.32 118.70 126.67 2k50 s GLU 55 Ca 0.00 -0.29 0.08 0.00 0.01 0.00 0.00 54.97 54.77 2k50 s GLU 55 Cb 0.00 -2.98 -0.02 0.00 -4.31 0.00 0.00 34.13 26.82 2k50 s GLU 55 CO 0.00 0.71 -0.25 -1.17 0.01 0.00 0.00 175.26 174.56 2k50 s LEU 56 N -0.88 2.06 -0.46 1.80 2.96 -0.19 -4.58 118.68 119.39 2k50 s LEU 56 Ca 0.13 -0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 53.38 2k50 s LEU 56 Cb -0.12 -1.29 0.04 0.00 0.50 0.00 0.00 46.19 45.32 2k50 s LEU 56 CO 0.03 0.30 0.63 -0.60 -1.32 0.00 0.00 176.35 175.39 2k50 s ARG 57 N -0.66 3.20 -0.21 1.98 3.52 -0.85 -2.07 118.95 123.87 2k50 s ARG 57 Ca 0.10 -0.59 -0.22 0.00 -0.13 0.00 0.00 55.73 54.89 2k50 s ARG 57 Cb -0.10 -4.01 -0.02 0.00 -1.56 0.00 0.00 34.95 29.27 2k50 s ARG 57 CO -0.01 -1.08 0.71 0.00 -0.81 0.00 0.00 175.30 174.11 2k50 s ALA 58 N 2.73 3.57 -0.44 6.12 0.00 0.16 -0.95 121.76 132.94 2k50 s ALA 58 Ca 0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 2k50 s ALA 58 Cb -0.16 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 19.92 2k50 s ALA 58 CO 0.16 -0.68 0.33 0.08 0.00 0.00 0.00 175.76 175.64 2k50 s VAL 59 N 2.23 4.96 -0.54 0.00 1.01 0.49 -0.74 120.40 127.80 2k50 s VAL 59 Ca 0.31 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2k50 s VAL 59 Cb -0.16 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2k50 s VAL 59 CO 0.10 -0.48 0.70 -0.36 0.00 0.00 0.00 175.10 175.07 2k50 s PHE 60 N 1.59 2.98 0.76 5.22 0.40 0.57 -2.11 117.98 127.40 2k50 s PHE 60 Ca 0.04 -0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 2k50 s PHE 60 Cb -0.22 -3.74 0.05 0.00 0.51 0.00 0.00 43.02 39.61 2k50 s PHE 60 CO 0.06 -1.16 1.08 -1.58 0.70 0.00 0.00 175.22 174.32 2k50 s TRP 61 N 2.92 2.85 0.55 0.36 0.52 -1.26 0.11 118.94 125.00 2k50 s TRP 61 Ca 0.17 1.32 0.47 0.00 0.02 0.00 0.00 56.10 58.08 2k50 s TRP 61 Cb -0.19 -3.02 1.69 0.00 -1.15 0.00 0.00 33.47 30.80 2k50 s TRP 61 CO 0.12 -1.63 1.63 0.00 0.02 0.00 0.00 176.95 177.09 2k50 h THR 62 N -1.00 0.11 -0.26 2.01 1.03 -0.01 0.76 112.91 115.55 2k50 h THR 62 Ca -0.45 -0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 65.83 2k50 h THR 62 Cb 1.24 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 2k50 h THR 62 CO 0.57 0.00 -0.30 -0.33 -0.01 0.00 0.00 175.52 175.45 2k50 h GLU 63 N 0.00 0.54 -0.27 0.00 4.39 -1.90 -3.26 114.58 114.07 2k50 h GLU 63 Ca 0.85 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 60.32 2k50 h GLU 63 Cb 3.39 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 32.03 2k50 h GLU 63 CO -0.02 0.78 0.00 0.09 -1.16 0.00 0.00 179.01 178.70 2k50 n ASN 64 N -4.09 2.83 -0.32 1.42 4.13 0.25 -4.57 115.26 114.92 2k50 n ASN 64 Ca -0.01 -1.84 0.11 0.00 1.68 0.00 0.00 54.58 54.52 2k50 n ASN 64 Cb 0.45 -0.17 0.32 0.00 -1.54 0.00 0.00 39.78 38.83 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 2.90 0.84 0.00 2.41 1.08 -1.29 -0.54 117.51 122.92 2k50 h ILE 65 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2k50 h ILE 65 Cb 0.74 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2k50 h ILE 65 CO 0.00 0.15 0.14 0.07 -0.69 0.00 0.00 178.15 177.81 2k50 h LYS 66 N 0.81 0.00 0.00 2.37 2.10 -1.83 -1.34 116.57 118.69 2k50 h LYS 66 Ca 0.49 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.05 2k50 h LYS 66 Cb 0.68 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2k50 h LYS 66 CO -0.26 0.00 -0.45 -0.07 -2.00 0.00 0.00 179.45 176.68 2k50 h LEU 67 N 0.00 0.00 -1.04 7.07 3.38 -1.44 -3.33 115.31 119.94 2k50 h LEU 67 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2k50 h LEU 67 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2k50 h LEU 67 CO 0.00 0.45 0.64 -0.07 0.09 0.00 0.00 178.44 179.55 2k50 h LEU 68 N 0.00 1.06 -0.19 1.67 3.38 -1.38 -1.99 115.31 117.87 2k50 h LEU 68 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k50 h LEU 68 Cb 1.34 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2k50 h LEU 68 CO 0.06 0.72 0.00 2.29 0.09 0.00 0.00 178.44 181.59 2k50 n LYS 69 N -4.45 0.07 0.01 1.13 2.85 -1.25 -3.29 118.16 113.22 2k50 n LYS 69 Ca 0.14 0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 57.57 2k50 n LYS 69 Cb 0.11 -1.62 0.06 0.00 -0.65 0.00 0.00 35.03 32.94 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 0.55 -5.79 -1.58 1.57 -1.56 -3.46 116.57 106.29 2k50 h LYS 70 Ca 0.00 -0.34 -0.61 0.00 -1.87 0.00 0.00 60.65 57.83 2k50 h LYS 70 Cb 0.34 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.57 2k50 h LYS 70 CO 0.00 0.94 -0.59 -0.59 -0.57 0.00 0.00 179.45 178.64 2k50 s PHE 71 N -4.02 2.53 0.23 -1.35 -0.71 -1.21 -5.07 117.98 108.38 2k50 s PHE 71 Ca -0.07 -0.60 0.07 0.00 -1.04 0.00 0.00 56.93 55.29 2k50 s PHE 71 Cb 0.11 -1.73 -0.04 0.00 -1.21 0.00 0.00 43.02 40.16 2k50 s PHE 71 CO 0.84 0.41 0.10 1.03 -1.34 0.00 0.00 175.22 176.26 2k50 s ARG 72 N -3.74 2.65 -0.92 1.99 0.52 -1.26 -4.99 118.95 113.19 2k50 s ARG 72 Ca 0.36 -1.14 -0.24 0.00 -0.52 0.00 0.00 55.73 54.19 2k50 s ARG 72 Cb 0.06 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 2k50 s ARG 72 CO 0.19 0.41 1.94 -2.00 0.02 0.00 0.00 175.30 175.86 2k50 s GLU 73 N -3.52 2.56 0.00 3.54 2.12 -1.26 -2.17 118.70 119.98 2k50 s GLU 73 Ca 0.31 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.28 2k50 s GLU 73 Cb -0.08 -5.08 0.00 0.00 0.26 0.00 0.00 34.13 29.23 2k50 s GLU 73 CO 0.22 -3.40 0.00 0.41 -0.54 0.00 0.00 175.26 171.95 2k50 n GLY 74 N 6.78 0.68 3.65 -1.50 0.00 -1.19 -4.95 105.19 108.68 2k50 n GLY 74 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.68 -4.47 1.61 8.00 -0.92 -4.61 116.55 115.48 2k50 n ASP 75 Ca 0.00 -1.36 -0.33 0.00 0.71 0.00 0.00 54.79 53.81 2k50 n ASP 75 Cb 0.00 -0.99 -0.13 0.00 -0.02 0.00 0.00 41.12 39.98 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 -3.52 3.29 0.23 2.53 1.01 -1.26 -0.30 120.40 122.37 2k50 s VAL 76 Ca 0.72 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2k50 s VAL 76 Cb -0.04 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 2k50 s VAL 76 CO 0.52 0.56 -0.05 0.27 0.00 0.00 0.00 175.10 176.41 2k50 s ILE 77 N -0.30 1.33 -0.16 2.22 -4.36 -0.87 -0.34 121.20 118.72 2k50 s ILE 77 Ca 0.03 -2.09 -0.04 0.00 -0.26 0.00 0.00 60.65 58.30 2k50 s ILE 77 Cb -0.13 -2.29 0.06 0.00 1.25 0.00 0.00 42.46 41.35 2k50 s ILE 77 CO 0.03 -0.40 0.06 -0.60 0.24 0.00 0.00 174.94 174.27 2k50 s ARG 78 N -3.78 0.35 -0.17 0.37 3.52 0.17 -2.47 118.95 116.95 2k50 s ARG 78 Ca 0.27 -0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 55.48 2k50 s ARG 78 Cb 0.04 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.61 2k50 s ARG 78 CO 0.09 -0.60 0.61 0.42 -0.81 0.00 0.00 175.30 175.00 2k50 s ILE 79 N 2.01 5.06 -0.30 4.11 1.01 0.57 -1.60 121.20 132.05 2k50 s ILE 79 Ca 0.01 1.16 -0.17 0.00 0.00 0.00 0.00 60.65 61.65 2k50 s ILE 79 Cb -0.16 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2k50 s ILE 79 CO -0.08 0.17 0.46 -0.75 0.00 0.00 0.00 174.94 174.74 2k50 s LYS 80 N 1.56 3.86 -0.32 2.79 2.20 0.43 -0.18 119.74 130.08 2k50 s LYS 80 Ca 0.29 0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.84 2k50 s LYS 80 Cb -0.16 -3.72 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 2k50 s LYS 80 CO 0.11 -0.45 0.22 -0.25 -0.36 0.00 0.00 175.35 174.62 2k50 n ASP 81 N 5.54 -7.71 -4.29 1.43 8.00 -1.26 -3.66 116.55 114.59 2k50 n ASP 81 Ca -0.06 0.97 -0.22 0.00 0.71 0.00 0.00 54.79 56.19 2k50 n ASP 81 Cb 0.50 -4.72 -0.10 0.00 -0.02 0.00 0.00 41.12 36.78 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 -1.84 0.84 -0.26 2.53 -7.23 -0.66 -4.52 120.40 109.27 2k50 s VAL 82 Ca 0.10 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 2k50 s VAL 82 Cb -0.02 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2k50 s VAL 82 CO 0.70 0.00 0.10 0.20 -0.31 0.00 0.00 175.10 175.79 2k50 s ASN 83 N -3.50 5.32 -0.39 4.85 0.02 -0.95 -1.14 114.94 119.15 2k50 s ASN 83 Ca 0.32 -0.19 -0.25 0.00 -1.02 0.00 0.00 52.86 51.71 2k50 s ASN 83 Cb 0.06 -1.96 0.02 0.00 0.02 0.00 0.00 41.25 39.39 2k50 s ASN 83 CO 0.15 -0.05 0.90 -0.63 0.02 0.00 0.00 177.10 177.49 2k50 s ILE 84 N 1.64 4.59 -0.03 0.60 -1.09 -0.35 -1.01 121.20 125.55 2k50 s ILE 84 Ca 0.06 1.04 -0.18 0.00 -2.23 0.00 0.00 60.65 59.34 2k50 s ILE 84 Cb -0.15 -4.33 -0.33 0.00 -1.58 0.00 0.00 42.46 36.07 2k50 s ILE 84 CO 0.05 -0.59 0.88 0.03 -1.23 0.00 0.00 174.94 174.09 2k50 h ARG 85 N 8.61 0.39 -5.69 2.79 2.47 -1.64 0.24 114.38 121.55 2k50 h ARG 85 Ca -0.24 -0.67 -0.34 0.00 -1.26 0.00 0.00 59.98 57.48 2k50 h ARG 85 Cb 1.08 0.25 0.16 0.00 -1.65 0.00 0.00 29.97 29.81 2k50 h ARG 85 CO 0.98 1.32 -0.78 0.41 0.56 0.00 0.00 179.97 182.46 2k50 n GLY 86 N 1.71 -0.36 2.69 0.04 0.00 -1.24 -4.49 105.19 103.54 2k50 n GLY 86 Ca -0.17 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.17 -1.08 2.79 -0.02 0.00 -1.24 -4.81 105.19 99.66 2k50 n GLY 87 Ca -0.29 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 0.23 2.43 0.00 1.61 5.36 -1.07 -4.89 117.98 121.64 2k50 s PHE 88 Ca 0.25 -2.71 0.00 0.00 -0.96 0.00 0.00 56.93 53.52 2k50 s PHE 88 Cb 0.24 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 2k50 s PHE 88 CO -0.14 -0.76 0.00 0.41 -1.46 0.00 0.00 175.22 173.27 2k50 n GLY 89 N 3.33 1.33 0.38 13.12 0.00 -1.26 -3.68 105.19 118.40 2k50 n GLY 89 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.04 3.96 -0.02 0.00 -1.26 -5.16 105.19 102.67 2k50 n GLY 90 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.37 2.07 0.64 1.61 0.52 -1.24 -4.87 118.95 116.31 2k50 s ARG 91 Ca 0.00 -0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 2k50 s ARG 91 Cb 0.00 -2.28 0.04 0.00 0.52 0.00 0.00 34.95 33.24 2k50 s ARG 91 CO 0.00 -1.22 0.93 0.15 0.02 0.00 0.00 175.30 175.18 2k50 s LYS 92 N -5.13 2.43 -0.06 3.54 1.02 -1.26 -2.61 119.74 117.67 2k50 s LYS 92 Ca 0.62 -0.34 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 2k50 s LYS 92 Cb -0.09 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2k50 s LYS 92 CO 0.43 -0.99 0.39 -1.83 -0.92 0.00 0.00 175.35 172.42 2k50 s GLU 93 N -5.07 0.67 -0.20 1.68 -1.05 -1.26 -2.01 118.70 111.46 2k50 s GLU 93 Ca 0.58 0.07 0.01 0.00 -0.15 0.00 0.00 54.97 55.48 2k50 s GLU 93 Cb -0.11 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.92 2k50 s GLU 93 CO 0.43 -0.17 -0.17 0.00 0.95 0.00 0.00 175.26 176.30 2k50 s ALA 94 N -0.89 2.42 -0.23 -0.84 0.00 -0.13 -1.68 121.76 120.40 2k50 s ALA 94 Ca -0.10 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 2k50 s ALA 94 Cb -0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 2k50 s ALA 94 CO 0.04 -0.54 0.46 -1.01 0.00 0.00 0.00 175.76 174.71 2k50 s HIS 95 N 1.26 3.31 0.13 0.00 3.76 -0.18 -0.38 115.29 123.20 2k50 s HIS 95 Ca 0.02 0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 55.28 2k50 s HIS 95 Cb -0.15 -2.63 -0.07 0.00 1.11 0.00 0.00 32.58 30.85 2k50 s HIS 95 CO -0.11 -0.16 0.81 -0.51 -0.85 0.00 0.00 174.74 173.92 2k50 s LEU 96 N 1.86 4.54 0.35 0.89 1.02 -0.90 -2.24 118.68 124.20 2k50 s LEU 96 Ca 0.20 1.62 0.07 0.00 0.02 0.00 0.00 54.13 56.05 2k50 s LEU 96 Cb -0.15 -3.34 -0.02 0.00 0.02 0.00 0.00 46.19 42.70 2k50 s LEU 96 CO 0.09 0.11 0.37 -0.04 0.02 0.00 0.00 176.35 176.90 2k50 s MET 97 N -0.65 2.84 0.62 1.70 -1.94 -1.26 -4.51 119.30 116.09 2k50 s MET 97 Ca 0.38 -1.22 0.27 0.00 -1.71 0.00 0.00 55.69 53.41 2k50 s MET 97 Cb -0.23 -2.59 1.40 0.00 2.01 0.00 0.00 34.83 35.43 2k50 s MET 97 CO 0.26 0.04 1.81 -1.00 -0.01 0.00 0.00 175.02 176.12 2k50 h PRO 98 N 1.09 0.00 0.00 2.03 0.13 -1.98 0.28 132.00 133.55 2k50 h PRO 98 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2k50 h PRO 98 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k50 h PRO 98 CO 0.56 0.00 -0.89 0.00 -0.23 0.00 0.00 178.00 177.44 2k50 h ARG 99 N 0.00 0.00 -6.26 0.86 3.08 -1.94 -3.47 114.38 106.65 2k50 h ARG 99 Ca 0.16 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.66 2k50 h ARG 99 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2k50 h ARG 99 CO -0.00 0.06 1.17 -1.12 -1.07 0.00 0.00 179.97 179.00 2k50 s SER 100 N -5.59 6.41 0.40 7.04 0.01 0.99 -5.01 113.70 117.94 2k50 s SER 100 Ca 0.00 2.06 0.08 0.00 1.31 0.00 0.00 55.95 59.40 2k50 s SER 100 Cb 0.09 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2k50 s SER 100 CO 0.77 -1.17 0.26 0.42 0.41 0.00 0.00 173.24 173.93 2k50 s THR 101 N 4.95 2.66 -0.04 1.44 -4.23 -1.24 -4.81 115.64 114.38 2k50 s THR 101 Ca 0.78 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 2k50 s THR 101 Cb -0.32 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.52 2k50 s THR 101 CO 0.32 -0.05 -0.11 0.68 -0.54 0.00 0.00 174.62 174.92 2k50 s VAL 102 N -2.50 0.98 0.08 2.29 -7.23 -1.26 -0.43 120.40 112.33 2k50 s VAL 102 Ca 0.43 -0.45 0.09 0.00 -1.81 0.00 0.00 61.98 60.25 2k50 s VAL 102 Cb -0.01 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2k50 s VAL 102 CO 0.25 0.30 -0.23 -1.83 -0.31 0.00 0.00 175.10 173.28 2k50 s GLU 103 N 0.30 1.73 0.00 4.82 -1.05 -0.63 -4.96 118.70 118.93 2k50 s GLU 103 Ca -0.06 -1.17 -0.21 0.00 -0.15 0.00 0.00 54.97 53.38 2k50 s GLU 103 Cb -0.11 -2.03 -0.05 0.00 -0.44 0.00 0.00 34.13 31.50 2k50 s GLU 103 CO 0.01 0.49 0.61 0.14 0.95 0.00 0.00 175.26 177.47 2k50 s VAL 104 N -0.98 4.89 0.14 1.83 -7.23 -1.26 0.44 120.40 118.23 2k50 s VAL 104 Ca 0.14 1.28 0.02 0.00 -1.81 0.00 0.00 61.98 61.61 2k50 s VAL 104 Cb -0.10 -3.95 0.02 0.00 0.56 0.00 0.00 36.38 32.91 2k50 s VAL 104 CO 0.06 0.41 0.19 0.18 -0.31 0.00 0.00 175.10 175.63 2k50 n LEU 105 N 2.72 0.00 -1.18 1.32 4.77 0.53 -4.28 117.00 120.89 2k50 n LEU 105 Ca -0.07 -0.58 0.08 0.00 -0.03 0.00 0.00 56.01 55.41 2k50 n LEU 105 Cb 0.51 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2k50 n LEU 105 CO 0.44 -0.55 -0.46 0.47 -1.33 0.00 0.00 177.39 175.96 2k50 n ASP 106 N -2.85 -6.38 0.00 -1.43 9.92 -1.26 -4.50 116.55 110.05 2k50 n ASP 106 Ca 0.04 1.30 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 2k50 n ASP 106 Cb 0.14 -3.87 0.00 0.00 -0.64 0.00 0.00 41.12 36.75 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 -3.23 0.00 -1.61 -0.24 -0.02 -1.26 -4.48 135.00 124.16 2k50 n PRO 107 Ca -0.04 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 60.96 2k50 n PRO 107 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.92 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 2.09 0.40 2.45 7.99 -1.26 -4.95 117.00 123.72 2k50 n LEU 108 Ca 0.00 1.14 -0.17 0.00 -0.01 0.00 0.00 56.01 56.97 2k50 n LEU 108 Cb 0.00 -1.29 -0.08 0.00 -0.11 0.00 0.00 43.42 41.94 2k50 n LEU 108 CO 0.00 -0.98 0.53 -0.33 -1.51 0.00 0.00 177.39 175.10 2k50 h GLU 109 N 3.91 -1.02 0.00 3.23 4.39 -1.79 -3.52 114.58 119.78 2k50 h GLU 109 Ca -0.44 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2k50 h GLU 109 Cb 1.32 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2k50 h GLU 109 CO 0.74 -0.68 0.00 0.72 -1.16 0.00 0.00 179.01 178.62