#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 0.17 -0.36 0.03 0.00 -1.26 -5.13 119.74 113.19 2k50 s LYS 2 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 55.97 55.62 2k50 s LYS 2 Cb 0.00 -1.30 0.01 0.00 0.00 0.00 0.00 37.83 36.53 2k50 s LYS 2 CO 0.00 -0.82 0.69 -1.25 0.00 0.00 0.00 175.35 173.97 2k50 s PRO 3 N 2.21 3.67 -0.38 1.78 0.04 -1.26 -5.03 135.00 136.03 2k50 s PRO 3 Ca 0.06 0.11 -0.27 0.00 0.04 0.00 0.00 61.00 60.94 2k50 s PRO 3 Cb -0.16 -3.82 0.02 0.00 0.04 0.00 0.00 34.50 30.58 2k50 s PRO 3 CO -0.21 -0.80 0.98 -1.21 0.04 0.00 0.00 177.00 175.81 2k50 s GLU 4 N 2.85 3.84 -0.01 4.56 2.02 -1.26 -5.03 118.70 125.66 2k50 s GLU 4 Ca 0.27 0.63 -0.02 0.00 0.02 0.00 0.00 54.97 55.86 2k50 s GLU 4 Cb -0.14 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 2k50 s GLU 4 CO 0.16 -1.03 0.14 -1.58 0.02 0.00 0.00 175.26 172.98 2k50 s HIS 5 N 3.67 3.45 -0.74 1.61 5.65 -1.26 -4.51 115.29 123.16 2k50 s HIS 5 Ca 0.41 0.31 0.00 0.00 0.25 0.00 0.00 55.06 56.02 2k50 s HIS 5 Cb -0.11 -1.80 0.00 0.00 -1.18 0.00 0.00 32.58 29.49 2k50 s HIS 5 CO 0.21 0.62 0.00 -2.13 -0.65 0.00 0.00 174.74 172.78 2k50 n ARG 6 N 1.06 -0.60 -3.15 2.88 3.00 -1.26 -4.98 116.66 113.62 2k50 n ARG 6 Ca -0.12 0.54 0.04 0.00 -0.00 0.00 0.00 57.85 58.31 2k50 n ARG 6 Cb 0.53 -4.43 -0.00 0.00 0.00 0.00 0.00 32.46 28.55 2k50 n ARG 6 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2k50 s MET 7 N -3.71 0.46 -0.01 -0.14 1.75 -1.26 -4.70 119.30 111.70 2k50 s MET 7 Ca 0.00 0.46 0.08 0.00 -1.25 0.00 0.00 55.69 54.97 2k50 s MET 7 Cb 0.00 0.21 -0.02 0.00 2.84 0.00 0.00 34.83 37.85 2k50 s MET 7 CO 0.00 -0.86 -0.24 -0.51 -0.65 0.00 0.00 175.02 172.76 2k50 s ASP 8 N 2.86 3.26 0.85 1.11 1.11 -1.26 -4.99 116.67 119.62 2k50 s ASP 8 Ca 0.14 -0.45 -0.12 0.00 0.18 0.00 0.00 52.55 52.30 2k50 s ASP 8 Cb -0.08 -0.42 0.10 0.00 1.07 0.00 0.00 42.92 43.59 2k50 s ASP 8 CO -0.25 0.31 1.16 0.42 1.18 0.00 0.00 175.17 177.98 2k50 s THR 9 N -0.69 2.04 0.46 -1.27 -4.23 -1.26 -4.72 115.64 105.98 2k50 s THR 9 Ca 0.11 0.01 0.16 0.00 -1.18 0.00 0.00 61.69 60.79 2k50 s THR 9 Cb -0.10 -2.90 0.33 0.00 1.34 0.00 0.00 72.50 71.17 2k50 s THR 9 CO 0.00 -0.02 2.01 0.40 -0.54 0.00 0.00 174.62 176.47 2k50 h ILE 10 N -1.25 0.89 -0.01 2.99 2.04 -1.88 0.34 117.51 120.64 2k50 h ILE 10 Ca -0.48 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.11 2k50 h ILE 10 Cb 1.33 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2k50 h ILE 10 CO 0.64 0.05 -0.78 -1.28 0.00 0.00 0.00 178.15 176.79 2k50 h SER 11 N 0.29 0.14 1.33 1.72 0.87 -1.90 -3.15 113.55 112.84 2k50 h SER 11 Ca 0.23 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2k50 h SER 11 Cb 0.53 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2k50 h SER 11 CO -0.05 0.86 0.00 0.11 -0.53 0.00 0.00 176.83 177.22 2k50 h LYS 12 N 0.07 0.00 -5.53 2.24 1.79 -0.76 -3.42 116.57 110.96 2k50 h LYS 12 Ca -0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 2k50 h LYS 12 Cb 1.36 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 2k50 h LYS 12 CO 0.11 0.00 0.41 -0.51 -1.08 0.00 0.00 179.45 178.38 2k50 s LEU 13 N -4.71 3.00 0.28 2.94 1.43 -0.03 -4.84 118.68 116.75 2k50 s LEU 13 Ca 0.09 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 2k50 s LEU 13 Cb 0.11 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 2k50 s LEU 13 CO 0.55 -3.33 0.80 -0.70 0.23 0.00 0.00 176.35 173.91 2k50 s GLU 14 N 7.87 4.31 0.19 1.70 2.12 -1.26 -4.92 118.70 128.71 2k50 s GLU 14 Ca 0.80 0.99 -0.33 0.00 0.36 0.00 0.00 54.97 56.79 2k50 s GLU 14 Cb -0.09 -2.75 -0.12 0.00 0.26 0.00 0.00 34.13 31.42 2k50 s GLU 14 CO 0.04 0.30 1.69 -0.85 -0.54 0.00 0.00 175.26 175.90 2k50 n GLU 15 N 0.44 2.62 -0.77 4.30 0.28 -1.26 -1.69 120.64 124.55 2k50 n GLU 15 Ca 0.00 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 2k50 n GLU 15 Cb 0.51 -2.77 0.00 0.00 1.43 0.00 0.00 31.44 30.61 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 3.84 0.86 3.87 -1.84 0.00 0.46 -4.95 105.19 107.43 2k50 n GLY 16 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.40 3.73 -0.37 4.61 0.00 -0.68 -4.89 121.76 120.75 2k50 s ALA 17 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 2k50 s ALA 17 Cb 0.00 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.91 2k50 s ALA 17 CO 0.00 0.58 0.16 -2.00 0.00 0.00 0.00 175.76 174.50 2k50 s GLU 18 N -2.07 2.63 -0.00 0.00 2.12 -1.26 -1.71 118.70 118.40 2k50 s GLU 18 Ca 0.35 -1.25 -0.19 0.00 0.36 0.00 0.00 54.97 54.23 2k50 s GLU 18 Cb -0.13 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.70 2k50 s GLU 18 CO 0.19 -0.76 0.42 -0.08 -0.54 0.00 0.00 175.26 174.50 2k50 s THR 19 N 1.43 0.05 0.56 -1.70 -1.32 -1.11 -4.96 115.64 108.58 2k50 s THR 19 Ca 0.00 -0.37 -0.19 0.00 -1.21 0.00 0.00 61.69 59.92 2k50 s THR 19 Cb -0.20 -0.82 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 2k50 s THR 19 CO 0.03 -0.20 1.13 -2.16 -2.21 0.00 0.00 174.62 171.21 2k50 s PRO 20 N -1.72 3.27 0.17 7.08 0.04 -1.26 -3.80 135.00 138.77 2k50 s PRO 20 Ca -0.10 1.61 0.10 0.00 0.04 0.00 0.00 61.00 62.64 2k50 s PRO 20 Cb -0.03 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2k50 s PRO 20 CO 0.03 -0.92 -0.21 0.14 0.04 0.00 0.00 177.00 176.08 2k50 s VAL 21 N -1.82 2.03 -0.04 -0.36 -7.23 -0.27 -4.23 120.40 108.48 2k50 s VAL 21 Ca 0.73 -1.90 -0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2k50 s VAL 21 Cb -0.24 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.79 2k50 s VAL 21 CO 0.29 -0.19 0.15 -0.89 -0.31 0.00 0.00 175.10 174.16 2k50 s THR 22 N -1.74 0.03 0.00 5.32 2.01 -1.26 -0.22 115.64 119.78 2k50 s THR 22 Ca 0.16 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2k50 s THR 22 Cb -0.07 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.13 2k50 s THR 22 CO 0.07 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2k50 n GLY 23 N 2.46 0.83 3.66 4.40 0.00 -0.70 -4.71 105.19 111.12 2k50 n GLY 23 Ca -0.16 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 4.28 -0.02 1.61 0.52 -0.56 -1.68 118.95 121.10 2k50 s ARG 24 Ca 0.00 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 2k50 s ARG 24 Cb 0.00 -3.59 -0.07 0.00 0.52 0.00 0.00 34.95 31.80 2k50 s ARG 24 CO 0.00 -0.39 1.86 0.08 0.02 0.00 0.00 175.30 176.87 2k50 s VAL 25 N 2.38 3.23 -0.18 3.52 1.01 0.49 -0.84 120.40 130.01 2k50 s VAL 25 Ca 0.38 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 2k50 s VAL 25 Cb -0.16 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 2k50 s VAL 25 CO 0.11 -0.04 -0.20 0.80 0.00 0.00 0.00 175.10 175.78 2k50 n MET 26 N 7.48 0.51 -4.43 2.72 1.56 0.43 -2.31 117.12 123.08 2k50 n MET 26 Ca 0.20 0.40 -0.21 0.00 -0.27 0.00 0.00 57.70 57.82 2k50 n MET 26 Cb 0.42 -1.59 -0.14 0.00 2.15 0.00 0.00 33.22 34.06 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 -2.51 0.98 -0.24 2.12 -0.14 -1.19 -4.62 119.74 114.14 2k50 s LYS 27 Ca -0.25 -0.66 0.02 0.00 -1.36 0.00 0.00 55.97 53.73 2k50 s LYS 27 Cb 0.05 -0.97 0.05 0.00 -1.68 0.00 0.00 37.83 35.28 2k50 s LYS 27 CO 0.38 0.25 -0.13 0.42 -0.76 0.00 0.00 175.35 175.51 2k50 s ILE 28 N -0.67 2.08 -0.17 2.17 1.01 -1.26 -0.95 121.20 123.41 2k50 s ILE 28 Ca 0.03 -1.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.03 2k50 s ILE 28 Cb -0.07 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2k50 s ILE 28 CO 0.01 0.10 0.65 -0.44 0.00 0.00 0.00 174.94 175.26 2k50 s SER 29 N 1.17 6.77 0.69 3.58 0.01 0.46 -5.02 113.70 121.37 2k50 s SER 29 Ca -0.05 0.93 -0.16 0.00 1.31 0.00 0.00 55.95 57.97 2k50 s SER 29 Cb -0.18 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2k50 s SER 29 CO -0.07 -0.24 0.95 -1.20 0.41 0.00 0.00 173.24 173.09 2k50 n SER 30 N 4.76 0.49 -4.75 2.44 7.64 -1.26 -2.91 113.62 120.03 2k50 n SER 30 Ca -0.01 0.70 -0.41 0.00 1.01 0.00 0.00 58.87 60.15 2k50 n SER 30 Cb 0.50 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.29 2k50 n SER 30 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k50 s PRO 31 N -3.18 4.16 -0.20 1.43 0.04 -1.26 -4.62 135.00 131.37 2k50 s PRO 31 Ca 0.74 2.50 -0.08 0.00 0.04 0.00 0.00 61.00 64.20 2k50 s PRO 31 Cb -0.36 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2k50 s PRO 31 CO 0.49 -0.56 0.08 0.50 0.04 0.00 0.00 177.00 177.55 2k50 s ARG 32 N -0.66 3.97 0.13 4.56 3.52 0.62 -4.87 118.95 126.23 2k50 s ARG 32 Ca 0.61 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.70 2k50 s ARG 32 Cb -0.46 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.58 2k50 s ARG 32 CO 0.48 0.21 0.59 0.99 -0.81 0.00 0.00 175.30 176.76 2k50 s THR 33 N 0.57 4.76 0.19 4.11 2.01 -1.26 -1.64 115.64 124.38 2k50 s THR 33 Ca 0.04 1.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 2k50 s THR 33 Cb -0.13 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2k50 s THR 33 CO 0.01 0.35 0.42 0.72 -0.69 0.00 0.00 174.62 175.43 2k50 s PHE 34 N -1.35 0.14 0.01 4.92 -0.12 0.75 -4.96 117.98 117.38 2k50 s PHE 34 Ca 0.36 -0.49 -0.25 0.00 -0.05 0.00 0.00 56.93 56.50 2k50 s PHE 34 Cb -0.17 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 2k50 s PHE 34 CO 0.19 -0.85 0.75 0.99 -0.05 0.00 0.00 175.22 176.26 2k50 s THR 35 N -3.93 4.82 0.73 -4.49 2.01 -1.26 -3.67 115.64 109.85 2k50 s THR 35 Ca 0.14 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 63.72 2k50 s THR 35 Cb 0.01 -4.10 0.13 0.00 0.01 0.00 0.00 72.50 68.55 2k50 s THR 35 CO -0.01 0.33 1.00 0.42 -0.69 0.00 0.00 174.62 175.68 2k50 s THR 36 N 0.19 2.10 -2.03 -0.82 -4.23 -1.26 -5.01 115.64 104.59 2k50 s THR 36 Ca 0.39 -0.61 0.14 0.00 -1.18 0.00 0.00 61.69 60.43 2k50 s THR 36 Cb -0.20 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.55 2k50 s THR 36 CO 0.22 0.00 1.35 -2.11 -0.54 0.00 0.00 174.62 173.53 2k50 n ARG 37 N -2.84 2.04 0.01 3.99 1.85 -1.26 -4.69 116.66 115.75 2k50 n ARG 37 Ca 0.15 -1.61 0.00 0.00 -1.00 0.00 0.00 57.85 55.39 2k50 n ARG 37 Cb 0.61 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.66 2k50 n ARG 37 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2k50 n LYS 38 N 0.81 0.00 0.00 2.89 0.00 -1.26 -5.09 118.16 115.51 2k50 n LYS 38 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 2k50 n LYS 38 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 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 1.15 0.00 3.71 3.14 0.00 -1.26 -5.16 105.19 106.77 2k50 n GLY 39 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.45 0.46 1.61 0.52 -1.26 -5.03 118.95 117.70 2k50 s ARG 40 Ca 0.00 -1.39 0.24 0.00 -0.52 0.00 0.00 55.73 54.06 2k50 s ARG 40 Cb 0.00 -2.25 1.09 0.00 0.52 0.00 0.00 34.95 34.31 2k50 s ARG 40 CO 0.00 0.28 1.91 1.05 0.02 0.00 0.00 175.30 178.57 2k50 h GLU 41 N 1.69 0.00 -3.93 3.54 4.11 -2.01 -3.36 114.58 114.61 2k50 h GLU 41 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k50 h GLU 41 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k50 h GLU 41 CO 0.61 0.22 -0.76 0.41 0.07 0.00 0.00 179.01 179.56 2k50 n GLY 42 N -0.23 -4.79 3.17 1.06 0.00 -1.24 -3.74 105.19 99.42 2k50 n GLY 42 Ca -0.01 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.01 0.57 -0.06 1.61 1.02 -1.26 -0.17 119.74 120.43 2k50 s LYS 43 Ca -0.04 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 2k50 s LYS 43 Cb 0.00 0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 2k50 s LYS 43 CO 0.12 -0.15 0.16 -0.48 -0.92 0.00 0.00 175.35 174.08 2k50 s LEU 44 N -1.39 1.08 0.16 3.17 0.05 -0.65 0.31 118.68 121.41 2k50 s LEU 44 Ca -0.14 0.32 0.08 0.00 0.05 0.00 0.00 54.13 54.44 2k50 s LEU 44 Cb -0.06 0.47 -0.04 0.00 -2.05 0.00 0.00 46.19 44.51 2k50 s LEU 44 CO 0.03 -0.10 -0.17 0.00 -0.55 0.00 0.00 176.35 175.56 2k50 s ALA 45 N 0.59 1.92 -0.23 1.48 0.00 0.81 -0.27 121.76 126.07 2k50 s ALA 45 Ca -0.04 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.44 2k50 s ALA 45 Cb -0.06 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.97 2k50 s ALA 45 CO -0.03 0.18 -0.08 -0.80 0.00 0.00 0.00 175.76 175.04 2k50 s ASN 46 N -2.74 3.78 -0.21 0.00 0.01 -1.14 -0.61 114.94 114.03 2k50 s ASN 46 Ca 0.16 -1.11 -0.04 0.00 -0.71 0.00 0.00 52.86 51.16 2k50 s ASN 46 Cb -0.05 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.34 2k50 s ASN 46 CO 0.06 -0.20 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.73 2k50 s VAL 47 N 1.35 3.53 -0.50 1.60 1.01 0.12 -0.40 120.40 127.11 2k50 s VAL 47 Ca -0.05 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 2k50 s VAL 47 Cb -0.18 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.65 2k50 s VAL 47 CO -0.07 0.43 0.66 -0.63 0.00 0.00 0.00 175.10 175.49 2k50 s ILE 48 N 1.31 4.81 -0.06 2.22 -1.09 -0.13 -0.59 121.20 127.67 2k50 s ILE 48 Ca 0.04 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2k50 s ILE 48 Cb -0.14 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 2k50 s ILE 48 CO -0.01 -0.79 0.01 0.27 -1.23 0.00 0.00 174.94 173.19 2k50 s ILE 49 N 2.81 4.34 -0.06 2.92 -4.36 -0.76 -0.43 121.20 125.65 2k50 s ILE 49 Ca 0.18 -0.32 0.05 0.00 -0.26 0.00 0.00 60.65 60.30 2k50 s ILE 49 Cb -0.17 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 2k50 s ILE 49 CO 0.14 0.54 -0.22 0.00 0.24 0.00 0.00 174.94 175.64 2k50 s ALA 50 N -0.95 2.31 0.31 2.27 0.00 -0.02 0.13 121.76 125.82 2k50 s ALA 50 Ca 0.15 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2k50 s ALA 50 Cb -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 2k50 s ALA 50 CO 0.05 0.45 -0.00 0.34 0.00 0.00 0.00 175.76 176.60 2k50 s ASP 51 N -0.31 2.74 0.66 0.00 2.15 0.19 -1.50 116.67 120.60 2k50 s ASP 51 Ca 0.01 -1.29 0.38 0.00 0.43 0.00 0.00 52.55 52.08 2k50 s ASP 51 Cb -0.13 -0.16 2.06 0.00 -0.30 0.00 0.00 42.92 44.39 2k50 s ASP 51 CO 0.02 -0.47 2.16 0.44 -0.17 0.00 0.00 175.17 177.16 2k50 h ASP 52 N 2.15 0.00 -0.65 -0.34 3.32 -2.00 -0.31 116.42 118.59 2k50 h ASP 52 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 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 0.70 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.57 2k50 n THR 53 N -2.98 1.28 0.00 0.35 -2.24 -1.26 -5.06 114.28 104.37 2k50 n THR 53 Ca -0.03 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2k50 n THR 53 Cb 0.21 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.30 2.87 3.89 3.38 0.00 -0.13 -3.94 105.19 112.56 2k50 n GLY 54 Ca 0.23 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 2k50 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k50 s GLU 55 N -2.13 3.15 0.03 1.61 4.04 -1.26 -0.64 118.70 123.50 2k50 s GLU 55 Ca 0.00 -0.93 0.04 0.00 0.04 0.00 0.00 54.97 54.11 2k50 s GLU 55 Cb 0.00 -2.71 -0.02 0.00 0.02 0.00 0.00 34.13 31.43 2k50 s GLU 55 CO 0.00 0.40 -0.11 -1.17 -1.84 0.00 0.00 175.26 172.54 2k50 s LEU 56 N -3.91 2.15 -0.58 1.83 2.96 0.12 -4.60 118.68 116.65 2k50 s LEU 56 Ca 0.34 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 2k50 s LEU 56 Cb -0.08 -0.44 0.10 0.00 0.50 0.00 0.00 46.19 46.26 2k50 s LEU 56 CO 0.27 -0.01 0.69 -0.60 -1.32 0.00 0.00 176.35 175.38 2k50 s ARG 57 N -1.01 3.05 -0.28 1.98 3.52 -0.26 -1.84 118.95 124.11 2k50 s ARG 57 Ca -0.01 -1.28 -0.24 0.00 -0.13 0.00 0.00 55.73 54.07 2k50 s ARG 57 Cb -0.07 -4.25 -0.00 0.00 -1.56 0.00 0.00 34.95 29.07 2k50 s ARG 57 CO 0.01 -1.50 0.82 0.00 -0.81 0.00 0.00 175.30 173.81 2k50 s ALA 58 N 2.65 3.57 -0.44 6.12 0.00 0.24 -1.29 121.76 132.62 2k50 s ALA 58 Ca 0.12 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 2k50 s ALA 58 Cb -0.24 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.60 2k50 s ALA 58 CO 0.07 -1.11 0.46 0.08 0.00 0.00 0.00 175.76 175.25 2k50 s VAL 59 N 2.95 5.08 -0.53 0.00 1.01 0.37 -0.70 120.40 128.57 2k50 s VAL 59 Ca 0.34 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2k50 s VAL 59 Cb -0.14 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2k50 s VAL 59 CO 0.11 -0.49 0.69 -0.36 0.00 0.00 0.00 175.10 175.05 2k50 s PHE 60 N 2.15 2.99 0.71 5.22 0.40 0.22 -1.98 117.98 127.69 2k50 s PHE 60 Ca 0.12 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 2k50 s PHE 60 Cb -0.18 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.66 2k50 s PHE 60 CO 0.13 -1.14 1.07 -1.58 0.70 0.00 0.00 175.22 174.40 2k50 s TRP 61 N 2.88 3.15 0.39 0.36 0.52 -1.26 -0.13 118.94 124.85 2k50 s TRP 61 Ca 0.17 1.28 0.27 0.00 0.02 0.00 0.00 56.10 57.84 2k50 s TRP 61 Cb -0.19 -2.95 1.36 0.00 -1.15 0.00 0.00 33.47 30.55 2k50 s TRP 61 CO 0.12 -1.29 1.48 -2.37 0.02 0.00 0.00 176.95 174.91 2k50 n THR 62 N -3.14 -0.29 -0.04 2.01 5.66 0.15 0.58 114.28 119.22 2k50 n THR 62 Ca 0.07 1.77 -0.01 0.00 -3.05 0.00 0.00 64.05 62.83 2k50 n THR 62 Cb 0.55 -2.89 0.28 0.00 -1.55 0.00 0.00 70.33 66.72 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 0.61 -0.23 1.09 4.39 -1.91 -3.14 114.58 115.38 2k50 h GLU 63 Ca 0.82 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 60.40 2k50 h GLU 63 Cb 2.49 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.05 2k50 h GLU 63 CO -0.53 0.59 0.00 0.09 -1.16 0.00 0.00 179.01 178.00 2k50 n ASN 64 N -4.29 2.79 -0.19 1.42 4.13 0.20 -4.52 115.26 114.80 2k50 n ASN 64 Ca 0.02 -1.82 0.15 0.00 1.68 0.00 0.00 54.58 54.62 2k50 n ASN 64 Cb 0.23 -0.14 0.49 0.00 -1.54 0.00 0.00 39.78 38.81 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 3.14 0.79 0.00 2.41 1.08 -1.30 0.00 117.51 123.63 2k50 h ILE 65 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2k50 h ILE 65 Cb 0.75 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2k50 h ILE 65 CO 0.00 0.08 0.00 0.07 -0.69 0.00 0.00 178.15 177.62 2k50 h LYS 66 N 0.45 0.00 0.00 2.37 2.10 -1.81 -1.60 116.57 118.08 2k50 h LYS 66 Ca 0.39 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.97 2k50 h LYS 66 Cb 0.86 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 2k50 h LYS 66 CO -0.13 0.00 -0.45 -0.07 -2.00 0.00 0.00 179.45 176.80 2k50 h LEU 67 N 0.00 0.00 -1.47 7.07 3.38 -1.33 -3.34 115.31 119.62 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 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2k50 h LEU 67 CO 0.00 0.33 0.40 -0.07 0.09 0.00 0.00 178.44 179.19 2k50 h LEU 68 N 0.00 0.59 -0.38 1.67 3.38 -1.41 -1.72 115.31 117.44 2k50 h LEU 68 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k50 h LEU 68 Cb 1.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k50 h LEU 68 CO 0.04 0.40 0.00 2.29 0.09 0.00 0.00 178.44 181.26 2k50 n LYS 69 N -4.47 0.19 0.04 1.13 2.85 -1.25 -3.34 118.16 113.31 2k50 n LYS 69 Ca 0.08 0.32 -0.07 0.00 -1.05 0.00 0.00 58.31 57.59 2k50 n LYS 69 Cb 0.16 -1.80 0.11 0.00 -0.65 0.00 0.00 35.03 32.85 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 0.41 -5.51 -1.58 1.57 -1.53 -3.46 116.57 106.48 2k50 h LYS 70 Ca 0.00 -0.25 -0.58 0.00 -1.87 0.00 0.00 60.65 57.95 2k50 h LYS 70 Cb 0.48 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.69 2k50 h LYS 70 CO 0.00 0.83 -0.60 -0.59 -0.57 0.00 0.00 179.45 178.52 2k50 s PHE 71 N -3.99 2.32 0.30 -1.35 -0.71 -1.21 -5.08 117.98 108.27 2k50 s PHE 71 Ca -0.06 -0.77 0.10 0.00 -1.04 0.00 0.00 56.93 55.16 2k50 s PHE 71 Cb 0.12 -1.62 -0.05 0.00 -1.21 0.00 0.00 43.02 40.26 2k50 s PHE 71 CO 0.81 0.30 -0.09 1.03 -1.34 0.00 0.00 175.22 175.94 2k50 s ARG 72 N -3.77 1.93 -0.89 1.99 0.52 -1.26 -4.98 118.95 112.48 2k50 s ARG 72 Ca 0.34 -1.72 -0.25 0.00 -0.52 0.00 0.00 55.73 53.58 2k50 s ARG 72 Cb 0.09 -1.88 -0.07 0.00 0.52 0.00 0.00 34.95 33.62 2k50 s ARG 72 CO 0.17 0.25 2.04 -2.00 0.02 0.00 0.00 175.30 175.78 2k50 s GLU 73 N -3.61 2.35 0.00 3.54 2.12 -1.26 -2.07 118.70 119.77 2k50 s GLU 73 Ca 0.32 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.47 2k50 s GLU 73 Cb -0.03 -5.02 0.00 0.00 0.26 0.00 0.00 34.13 29.35 2k50 s GLU 73 CO 0.17 -3.63 0.00 0.41 -0.54 0.00 0.00 175.26 171.67 2k50 n GLY 74 N 6.80 0.49 3.92 -1.50 0.00 -0.98 -4.95 105.19 108.97 2k50 n GLY 74 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 5.18 -0.23 1.61 1.01 -0.88 -4.65 116.67 118.71 2k50 s ASP 75 Ca 0.00 0.61 -0.10 0.00 0.71 0.00 0.00 52.55 53.76 2k50 s ASP 75 Cb 0.00 -1.41 -0.05 0.00 1.01 0.00 0.00 42.92 42.47 2k50 s ASP 75 CO 0.00 -1.36 0.15 -0.69 0.21 0.00 0.00 175.17 173.48 2k50 s VAL 76 N -3.15 5.37 0.06 -1.27 1.01 -1.26 -0.38 120.40 120.78 2k50 s VAL 76 Ca 0.57 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.81 2k50 s VAL 76 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2k50 s VAL 76 CO 0.45 0.37 -0.20 0.27 0.00 0.00 0.00 175.10 175.99 2k50 s ILE 77 N 0.86 1.64 -0.27 2.22 -4.36 -0.67 -0.52 121.20 120.09 2k50 s ILE 77 Ca 0.08 -1.27 -0.01 0.00 -0.26 0.00 0.00 60.65 59.18 2k50 s ILE 77 Cb -0.13 -1.44 0.04 0.00 1.25 0.00 0.00 42.46 42.18 2k50 s ILE 77 CO 0.03 0.12 -0.04 -0.60 0.24 0.00 0.00 174.94 174.69 2k50 s ARG 78 N -1.36 2.63 -0.31 0.37 3.52 0.71 -1.72 118.95 122.79 2k50 s ARG 78 Ca 0.07 -1.12 -0.20 0.00 -0.13 0.00 0.00 55.73 54.35 2k50 s ARG 78 Cb -0.09 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2k50 s ARG 78 CO 0.02 -0.50 0.62 0.42 -0.81 0.00 0.00 175.30 175.05 2k50 s ILE 79 N 1.28 4.94 -0.15 4.11 1.01 0.69 -1.18 121.20 131.91 2k50 s ILE 79 Ca -0.03 0.78 -0.16 0.00 0.00 0.00 0.00 60.65 61.24 2k50 s ILE 79 Cb -0.18 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2k50 s ILE 79 CO -0.03 -0.16 0.40 -0.75 0.00 0.00 0.00 174.94 174.40 2k50 s LYS 80 N 2.59 4.29 -0.25 2.79 2.20 0.15 -1.11 119.74 130.40 2k50 s LYS 80 Ca 0.24 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 2k50 s LYS 80 Cb -0.15 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2k50 s LYS 80 CO 0.12 0.15 0.05 -0.25 -0.36 0.00 0.00 175.35 175.06 2k50 n ASP 81 N 3.77 -6.64 -4.17 1.43 8.00 -1.26 -3.40 116.55 114.29 2k50 n ASP 81 Ca -0.09 1.03 -0.12 0.00 0.71 0.00 0.00 54.79 56.33 2k50 n ASP 81 Cb 0.52 -4.35 -0.10 0.00 -0.02 0.00 0.00 41.12 37.17 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 -1.36 0.00 -0.14 2.53 -7.23 -1.25 -4.56 120.40 108.39 2k50 s VAL 82 Ca 0.02 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2k50 s VAL 82 Cb -0.01 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 2k50 s VAL 82 CO 0.60 0.00 -0.17 0.20 -0.31 0.00 0.00 175.10 175.42 2k50 s ASN 83 N -3.16 3.58 -0.22 4.85 0.02 -1.08 -2.75 114.94 116.18 2k50 s ASN 83 Ca 0.38 -0.47 -0.26 0.00 -1.02 0.00 0.00 52.86 51.50 2k50 s ASN 83 Cb 0.07 -1.53 -0.00 0.00 0.02 0.00 0.00 41.25 39.80 2k50 s ASN 83 CO 0.12 0.11 0.88 -0.63 0.02 0.00 0.00 177.10 177.61 2k50 s ILE 84 N 0.64 4.81 -2.18 0.60 -1.09 -0.70 -1.67 121.20 121.62 2k50 s ILE 84 Ca -0.09 1.70 0.21 0.00 -2.23 0.00 0.00 60.65 60.24 2k50 s ILE 84 Cb -0.16 -4.17 0.52 0.00 -1.58 0.00 0.00 42.46 37.08 2k50 s ILE 84 CO 0.02 -0.07 1.46 0.54 -1.23 0.00 0.00 174.94 175.67 2k50 n ARG 85 N 5.84 2.47 0.00 2.79 5.12 -0.45 -0.40 116.66 132.03 2k50 n ARG 85 Ca 0.07 -2.25 0.00 0.00 -1.93 0.00 0.00 57.85 53.73 2k50 n ARG 85 Cb 0.48 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 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 1.51 2.81 2.89 -0.13 0.00 -1.26 -4.42 105.19 106.59 2k50 n GLY 86 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.65 -0.93 3.46 -0.02 0.00 -1.26 -3.81 105.19 101.97 2k50 n GLY 87 Ca 0.00 0.41 -0.48 0.00 0.00 0.00 0.00 46.02 45.95 2k50 n GLY 87 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k50 n PHE 88 N -2.38 1.43 0.00 1.61 7.35 -1.26 -2.09 117.46 122.12 2k50 n PHE 88 Ca -0.03 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 2k50 n PHE 88 Cb 0.56 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.87 2k50 n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k50 n GLY 89 N 6.50 4.34 0.00 7.13 0.00 -1.26 -4.92 105.19 116.97 2k50 n GLY 89 Ca 0.44 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.68 3.61 -0.02 0.00 -0.89 -5.11 105.19 101.11 2k50 n GLY 90 Ca 0.00 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 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 3.82 0.80 1.61 0.52 -1.25 -4.96 118.95 119.48 2k50 s ARG 91 Ca 0.00 0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 55.84 2k50 s ARG 91 Cb 0.00 -3.87 0.06 0.00 0.52 0.00 0.00 34.95 31.66 2k50 s ARG 91 CO 0.00 -1.25 1.06 1.63 0.02 0.00 0.00 175.30 176.76 2k50 n LYS 92 N 7.56 0.23 -4.17 3.54 5.02 -1.25 -4.14 118.16 124.94 2k50 n LYS 92 Ca 0.12 0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.40 2k50 n LYS 92 Cb 0.48 -2.31 -0.13 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.83 0.65 -0.19 1.97 -1.05 -1.26 -1.11 118.70 113.88 2k50 s GLU 93 Ca 0.72 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.88 2k50 s GLU 93 Cb -0.30 -0.55 0.04 0.00 -0.44 0.00 0.00 34.13 32.87 2k50 s GLU 93 CO 0.52 0.13 -0.13 0.00 0.95 0.00 0.00 175.26 176.73 2k50 s ALA 94 N -0.98 2.11 -0.11 -0.84 0.00 -0.41 -1.34 121.76 120.19 2k50 s ALA 94 Ca -0.04 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 2k50 s ALA 94 Cb -0.08 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2k50 s ALA 94 CO 0.01 -0.68 0.43 -1.01 0.00 0.00 0.00 175.76 174.50 2k50 s HIS 95 N 1.36 3.53 0.46 0.00 3.76 -0.67 -0.48 115.29 123.25 2k50 s HIS 95 Ca 0.00 0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 55.71 2k50 s HIS 95 Cb -0.15 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.03 2k50 s HIS 95 CO -0.09 0.25 0.74 -0.51 -0.85 0.00 0.00 174.74 174.27 2k50 s LEU 96 N 0.36 3.69 0.24 0.89 1.02 -0.84 -2.64 118.68 121.41 2k50 s LEU 96 Ca 0.24 0.81 0.07 0.00 0.02 0.00 0.00 54.13 55.26 2k50 s LEU 96 Cb -0.15 -3.74 -0.05 0.00 0.02 0.00 0.00 46.19 42.27 2k50 s LEU 96 CO 0.09 -0.54 -0.09 -0.04 0.02 0.00 0.00 176.35 175.80 2k50 s MET 97 N -4.66 1.43 0.44 1.70 -1.94 -1.26 -4.65 119.30 110.35 2k50 s MET 97 Ca 0.46 -1.69 0.22 0.00 -1.71 0.00 0.00 55.69 52.98 2k50 s MET 97 Cb -0.10 -1.07 1.21 0.00 2.01 0.00 0.00 34.83 36.88 2k50 s MET 97 CO 0.43 0.08 1.81 -1.00 -0.01 0.00 0.00 175.02 176.33 2k50 h PRO 98 N 2.43 0.29 -0.37 2.03 0.13 -1.98 0.22 132.00 134.74 2k50 h PRO 98 Ca -0.39 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k50 h PRO 98 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k50 h PRO 98 CO 0.65 0.19 0.00 0.54 -0.23 0.00 0.00 178.00 179.15 2k50 n ARG 99 N -4.50 1.86 -3.26 0.86 1.74 -1.26 -4.88 116.66 107.23 2k50 n ARG 99 Ca 0.23 -1.28 -0.38 0.00 -0.77 0.00 0.00 57.85 55.64 2k50 n ARG 99 Cb 0.91 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.97 6.88 0.14 0.55 0.01 0.78 -4.95 113.70 116.13 2k50 s SER 100 Ca 0.24 1.04 0.07 0.00 1.31 0.00 0.00 55.95 58.62 2k50 s SER 100 Cb 0.13 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2k50 s SER 100 CO 0.16 0.08 -0.17 0.42 0.41 0.00 0.00 173.24 174.14 2k50 s THR 101 N 0.01 1.62 -0.12 1.44 -4.23 -1.22 -4.88 115.64 108.26 2k50 s THR 101 Ca 0.29 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2k50 s THR 101 Cb -0.17 -1.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.98 2k50 s THR 101 CO 0.15 -0.32 -0.21 0.68 -0.54 0.00 0.00 174.62 174.38 2k50 s VAL 102 N -1.97 2.32 -0.11 2.29 -7.23 -1.26 -0.68 120.40 113.76 2k50 s VAL 102 Ca 0.12 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2k50 s VAL 102 Cb -0.06 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2k50 s VAL 102 CO 0.05 0.55 -0.23 -1.83 -0.31 0.00 0.00 175.10 173.32 2k50 s GLU 103 N 0.48 2.99 0.30 4.82 -1.05 -0.32 -4.94 118.70 120.97 2k50 s GLU 103 Ca -0.14 -0.86 -0.27 0.00 -0.15 0.00 0.00 54.97 53.55 2k50 s GLU 103 Cb -0.17 -2.29 -0.09 0.00 -0.44 0.00 0.00 34.13 31.14 2k50 s GLU 103 CO 0.06 0.14 0.98 0.14 0.95 0.00 0.00 175.26 177.52 2k50 s VAL 104 N 0.44 4.01 0.25 1.83 -7.23 -1.26 -0.21 120.40 118.24 2k50 s VAL 104 Ca -0.17 1.80 0.01 0.00 -1.81 0.00 0.00 61.98 61.81 2k50 s VAL 104 Cb -0.17 -4.06 -0.00 0.00 0.56 0.00 0.00 36.38 32.71 2k50 s VAL 104 CO 0.07 0.26 0.03 0.18 -0.31 0.00 0.00 175.10 175.32 2k50 n LEU 105 N 0.84 0.00 0.00 1.32 4.77 0.32 -4.19 117.00 120.06 2k50 n LEU 105 Ca 0.01 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 2k50 n LEU 105 Cb 0.48 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2k50 n LEU 105 CO 0.47 -0.25 0.00 -0.67 -1.33 0.00 0.00 177.39 175.62 2k50 n ASP 106 N -1.36 0.00 -4.56 -1.43 2.03 -1.26 -4.26 116.55 105.71 2k50 n ASP 106 Ca -0.09 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.85 2k50 n ASP 106 Cb 0.34 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 2k50 n ASP 106 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2k50 s PRO 107 N 0.00 3.08 -0.79 -0.67 0.02 -1.26 -4.95 135.00 130.43 2k50 s PRO 107 Ca 0.00 -0.43 -0.25 0.00 0.02 0.00 0.00 61.00 60.33 2k50 s PRO 107 Cb 0.00 -4.86 -0.08 0.00 0.02 0.00 0.00 34.50 29.58 2k50 s PRO 107 CO 0.00 -2.58 2.14 -0.51 -0.33 0.00 0.00 177.00 175.72 2k50 s LEU 108 N 7.11 3.10 0.46 -5.54 2.01 -1.26 -4.75 118.68 119.80 2k50 s LEU 108 Ca 0.53 -0.13 0.23 0.00 0.01 0.00 0.00 54.13 54.78 2k50 s LEU 108 Cb -0.06 -2.55 1.09 0.00 0.01 0.00 0.00 46.19 44.69 2k50 s LEU 108 CO 0.03 -3.11 1.92 -0.33 1.01 0.00 0.00 176.35 175.87 2k50 h GLU 109 N 13.05 0.00 0.00 1.70 4.39 -1.93 -3.52 114.58 128.27 2k50 h GLU 109 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k50 h GLU 109 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2k50 h GLU 109 CO 1.14 0.22 0.00 1.58 -1.16 0.00 0.00 179.01 180.79