#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 s SER 2 N 0.00 -0.10 -0.07 1.61 0.15 -1.26 -5.19 113.70 108.85 2cr9 s SER 2 Ca 0.00 -0.11 -0.32 0.00 0.70 0.00 0.00 55.95 56.22 2cr9 s SER 2 Cb 0.00 0.19 0.14 0.00 -1.71 0.00 0.00 66.02 64.63 2cr9 s SER 2 CO 0.00 -0.33 1.36 -0.94 1.20 0.00 0.00 173.24 174.53 2cr9 s SER 3 N -2.74 -0.03 0.00 5.45 1.04 -1.26 -5.19 113.70 110.97 2cr9 s SER 3 Ca 0.12 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2cr9 s SER 3 Cb 0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2cr9 s SER 3 CO -0.04 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2cr9 n GLY 4 N -0.47 4.62 2.47 7.32 0.00 -1.26 -5.13 105.19 112.74 2cr9 n GLY 4 Ca -0.09 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2cr9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr9 s SER 5 N -0.48 2.71 -0.09 1.61 0.15 -1.26 -5.10 113.70 111.24 2cr9 s SER 5 Ca 0.00 -2.42 -0.33 0.00 0.70 0.00 0.00 55.95 53.91 2cr9 s SER 5 Cb 0.00 -0.46 0.14 0.00 -1.71 0.00 0.00 66.02 63.99 2cr9 s SER 5 CO 0.00 -0.28 1.41 -0.94 1.20 0.00 0.00 173.24 174.64 2cr9 s SER 6 N 0.79 -0.01 0.27 5.45 1.04 -1.26 -5.19 113.70 114.78 2cr9 s SER 6 Ca 0.21 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.44 2cr9 s SER 6 Cb -0.17 0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2cr9 s SER 6 CO -0.04 -0.07 0.62 -0.83 0.98 0.00 0.00 173.24 173.91 2cr9 s GLY 7 N -2.97 0.18 0.68 7.32 0.00 -1.26 -5.18 107.32 106.09 2cr9 s GLY 7 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 44.72 44.31 2cr9 s GLY 7 CO -0.06 -0.31 0.94 1.25 0.00 0.00 0.00 173.10 174.91 2cr9 s LYS 8 N -3.91 1.90 0.20 2.90 2.20 -1.26 -5.13 119.74 116.65 2cr9 s LYS 8 Ca 0.16 -1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2cr9 s LYS 8 Cb -0.04 -2.37 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 2cr9 s LYS 8 CO 0.08 -1.26 0.22 -1.12 -0.36 0.00 0.00 175.35 172.91 2cr9 s SER 9 N -4.66 0.10 -0.60 1.43 0.01 -1.26 -4.98 113.70 103.74 2cr9 s SER 9 Ca 0.64 -1.23 -0.13 0.00 1.31 0.00 0.00 55.95 56.53 2cr9 s SER 9 Cb -0.07 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.61 2cr9 s SER 9 CO 0.43 -0.91 0.64 -0.62 0.41 0.00 0.00 173.24 173.19 2cr9 n GLU 10 N -0.28 -1.83 -5.05 12.44 1.02 -1.26 -5.00 120.64 120.68 2cr9 n GLU 10 Ca 0.00 1.53 -0.29 0.00 -0.02 0.00 0.00 57.16 58.38 2cr9 n GLU 10 Cb 0.65 -4.26 -0.16 0.00 -0.02 0.00 0.00 31.44 27.64 2cr9 n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cr9 s LYS 11 N -3.14 2.24 -0.33 3.49 1.02 -1.26 -5.09 119.74 116.66 2cr9 s LYS 11 Ca 0.16 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 2cr9 s LYS 11 Cb -0.03 -1.88 0.13 0.00 -0.52 0.00 0.00 37.83 35.53 2cr9 s LYS 11 CO 0.81 0.29 0.19 1.03 -0.92 0.00 0.00 175.35 176.75 2cr9 s ARG 12 N 0.01 0.45 0.07 1.68 3.00 -1.26 -5.11 118.95 117.79 2cr9 s ARG 12 Ca -0.06 -1.11 -0.27 0.00 0.00 0.00 0.00 55.73 54.30 2cr9 s ARG 12 Cb -0.13 -1.25 0.08 0.00 0.00 0.00 0.00 34.95 33.65 2cr9 s ARG 12 CO 0.04 -1.16 0.88 1.41 0.00 0.00 0.00 175.30 176.47 2cr9 s MET 13 N 1.35 1.02 -0.01 3.54 1.75 -1.26 -5.10 119.30 120.60 2cr9 s MET 13 Ca 0.16 -0.46 -0.01 0.00 -1.25 0.00 0.00 55.69 54.13 2cr9 s MET 13 Cb -0.21 0.42 -0.00 0.00 2.84 0.00 0.00 34.83 37.87 2cr9 s MET 13 CO -0.09 -0.46 -0.01 1.63 -0.65 0.00 0.00 175.02 175.44 2cr9 n LYS 14 N -0.34 0.02 -1.11 4.11 5.02 -1.26 -5.11 118.16 119.49 2cr9 n LYS 14 Ca -0.08 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2cr9 n LYS 14 Cb 0.62 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 2cr9 n LYS 14 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2cr9 n LEU 15 N -2.46 -2.83 -3.94 -0.35 4.77 -1.26 -4.99 117.00 105.95 2cr9 n LEU 15 Ca -0.00 2.07 -0.28 0.00 -0.03 0.00 0.00 56.01 57.76 2cr9 n LEU 15 Cb 0.02 -1.68 -0.17 0.00 -2.33 0.00 0.00 43.42 39.26 2cr9 n LEU 15 CO 0.01 0.07 -0.45 0.42 -1.33 0.00 0.00 177.39 176.11 2cr9 s THR 16 N -2.53 1.26 0.43 -5.08 -4.23 -1.26 -5.12 115.64 99.10 2cr9 s THR 16 Ca 0.00 -0.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.98 2cr9 s THR 16 Cb 0.00 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 2cr9 s THR 16 CO 0.00 0.29 0.13 -0.76 -0.54 0.00 0.00 174.62 173.74 2cr9 s LEU 17 N 1.59 2.01 0.25 4.79 1.43 -1.26 -5.17 118.68 122.31 2cr9 s LEU 17 Ca 0.03 -1.71 0.04 0.00 -1.03 0.00 0.00 54.13 51.46 2cr9 s LEU 17 Cb -0.14 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.91 2cr9 s LEU 17 CO -0.09 -0.96 0.00 -0.54 0.23 0.00 0.00 176.35 174.99 2cr9 s LYS 18 N -3.69 1.39 0.00 1.70 -0.14 -1.26 -5.11 119.74 112.63 2cr9 s LYS 18 Ca 0.21 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.11 2cr9 s LYS 18 Cb 0.02 -0.68 0.00 0.00 -1.68 0.00 0.00 37.83 35.49 2cr9 s LYS 18 CO 0.14 -0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.04 2cr9 n GLY 19 N -0.46 2.29 0.00 -3.33 0.00 -1.26 -5.15 105.19 97.27 2cr9 n GLY 19 Ca -0.05 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2cr9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 20 N 1.82 0.93 3.78 -0.02 0.00 -1.26 -5.05 105.19 105.39 2cr9 n GLY 20 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 2cr9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr9 s ALA 21 N -1.07 2.06 -0.17 4.61 0.00 -1.26 -5.04 121.76 120.89 2cr9 s ALA 21 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 2cr9 s ALA 21 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2cr9 s ALA 21 CO 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 175.76 173.91 2cr9 s ALA 22 N -3.12 3.41 0.72 0.00 0.00 -1.26 -4.16 121.76 117.35 2cr9 s ALA 22 Ca 0.62 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 2cr9 s ALA 22 Cb -0.15 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.13 2cr9 s ALA 22 CO 0.55 0.24 1.13 0.08 0.00 0.00 0.00 175.76 177.75 2cr9 s VAL 23 N 0.18 2.99 0.40 0.00 1.01 -1.26 -4.89 120.40 118.83 2cr9 s VAL 23 Ca 0.04 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 2cr9 s VAL 23 Cb -0.12 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 2cr9 s VAL 23 CO 0.01 -0.33 0.99 -0.62 0.00 0.00 0.00 175.10 175.14 2cr9 s ASP 24 N -2.71 6.93 0.46 3.32 2.15 -1.26 -4.70 116.67 120.86 2cr9 s ASP 24 Ca 0.67 1.86 0.26 0.00 0.43 0.00 0.00 52.55 55.77 2cr9 s ASP 24 Cb -0.21 -2.57 0.78 0.00 -0.30 0.00 0.00 42.92 40.62 2cr9 s ASP 24 CO 0.47 -0.36 1.77 1.55 -0.17 0.00 0.00 175.17 178.42 2cr9 h PRO 25 N 2.40 0.00 0.00 4.34 0.13 -1.97 -2.80 132.00 134.09 2cr9 h PRO 25 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2cr9 h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2cr9 h PRO 25 CO 0.62 0.10 -0.40 -0.44 -0.23 0.00 0.00 178.00 177.64 2cr9 h ASP 26 N 0.00 0.00 1.14 1.44 3.32 -2.03 -2.77 116.42 117.52 2cr9 h ASP 26 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2cr9 h ASP 26 Cb 0.82 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 2cr9 h ASP 26 CO 0.01 0.40 -0.70 0.77 -1.72 0.00 0.00 179.24 178.00 2cr9 h SER 27 N 0.00 0.00 0.00 6.45 4.64 -1.89 -3.47 113.55 119.27 2cr9 h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cr9 h SER 27 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2cr9 h SER 27 CO 0.05 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 2cr9 n GLY 28 N 1.08 2.07 1.13 -0.77 0.00 -1.05 -4.82 105.19 102.83 2cr9 n GLY 28 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2cr9 n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cr9 n LEU 29 N 0.00 3.16 0.12 0.99 7.99 -1.26 -3.72 117.00 124.28 2cr9 n LEU 29 Ca 0.00 -1.60 0.06 0.00 -0.01 0.00 0.00 56.01 54.47 2cr9 n LEU 29 Cb 0.00 -0.58 0.02 0.00 -0.11 0.00 0.00 43.42 42.76 2cr9 n LEU 29 CO 0.00 0.43 0.24 1.05 -1.51 0.00 0.00 177.39 177.60 2cr9 h GLU 30 N 1.86 0.00 -0.00 3.23 4.11 -1.74 -1.54 114.58 120.49 2cr9 h GLU 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 30 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2cr9 h GLU 30 CO 0.22 0.20 0.00 -2.39 0.07 0.00 0.00 179.01 177.11 2cr9 n HIS 31 N -2.97 0.00 0.09 2.06 1.44 -1.24 -4.79 115.22 109.81 2cr9 n HIS 31 Ca -0.01 -0.51 0.00 0.00 -2.01 0.00 0.00 57.72 55.19 2cr9 n HIS 31 Cb 0.66 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.72 2cr9 n HIS 31 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2cr9 n SER 32 N -0.51 0.47 -2.32 4.39 2.88 -1.24 -5.12 113.62 112.16 2cr9 n SER 32 Ca 0.00 0.28 -0.02 0.00 -1.33 0.00 0.00 58.87 57.80 2cr9 n SER 32 Cb 0.26 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr9 n ALA 33 N -3.40 0.12 -3.09 -1.46 0.00 -0.58 -4.25 120.51 107.85 2cr9 n ALA 33 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2cr9 n ALA 33 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 2cr9 n ALA 33 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2cr9 s HIS 34 N 0.29 -0.25 0.14 0.00 -3.43 -1.15 -4.26 115.29 106.64 2cr9 s HIS 34 Ca 0.06 0.07 -0.34 0.00 -0.80 0.00 0.00 55.06 54.04 2cr9 s HIS 34 Cb -0.00 0.26 -0.15 0.00 -1.43 0.00 0.00 32.58 31.25 2cr9 s HIS 34 CO 0.04 -0.65 1.38 0.28 -2.00 0.00 0.00 174.74 173.78 2cr9 n VAL 35 N 0.10 0.31 -1.62 -5.38 0.31 -1.26 -0.59 118.33 110.20 2cr9 n VAL 35 Ca -0.17 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 63.75 2cr9 n VAL 35 Cb 0.62 -1.11 0.06 0.00 -0.91 0.00 0.00 33.84 32.51 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2cr9 s LEU 36 N 0.58 3.31 -0.04 7.52 2.96 0.37 -4.74 118.68 128.64 2cr9 s LEU 36 Ca 0.78 2.02 -0.01 0.00 -0.22 0.00 0.00 54.13 56.70 2cr9 s LEU 36 Cb -0.82 -4.55 0.03 0.00 0.50 0.00 0.00 46.19 41.35 2cr9 s LEU 36 CO 0.46 -1.80 0.07 -1.61 -1.32 0.00 0.00 176.35 172.15 2cr9 s GLU 37 N -4.21 -0.01 -0.02 1.98 2.02 -1.26 -1.90 118.70 115.30 2cr9 s GLU 37 Ca 0.67 0.29 -0.05 0.00 0.02 0.00 0.00 54.97 55.89 2cr9 s GLU 37 Cb -0.21 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.75 2cr9 s GLU 37 CO 0.44 -0.20 0.12 0.21 0.02 0.00 0.00 175.26 175.85 2cr9 s LYS 38 N 1.36 0.34 -1.64 1.61 2.20 -0.62 -4.87 119.74 118.12 2cr9 s LYS 38 Ca -0.06 -0.20 -0.15 0.00 -0.36 0.00 0.00 55.97 55.20 2cr9 s LYS 38 Cb -0.12 0.14 0.13 0.00 -1.51 0.00 0.00 37.83 36.46 2cr9 s LYS 38 CO -0.04 -0.07 0.79 0.41 -0.36 0.00 0.00 175.35 176.08 2cr9 n GLY 39 N 2.07 -0.43 3.60 5.54 0.00 -1.26 0.27 105.19 114.99 2cr9 n GLY 39 Ca -0.19 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2cr9 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 40 N -1.52 -0.53 3.26 -0.02 0.00 -1.26 -4.98 105.19 100.13 2cr9 n GLY 40 Ca 0.02 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 2cr9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 s LYS 41 N -6.31 1.16 -0.05 1.61 -0.14 0.14 -5.16 119.74 111.00 2cr9 s LYS 41 Ca 0.57 -1.57 0.05 0.00 -1.36 0.00 0.00 55.97 53.67 2cr9 s LYS 41 Cb -0.26 -0.33 -0.02 0.00 -1.68 0.00 0.00 37.83 35.54 2cr9 s LYS 41 CO 0.70 -0.13 -0.21 0.08 -0.76 0.00 0.00 175.35 175.03 2cr9 s VAL 42 N -3.62 2.42 -0.96 3.17 1.01 -1.26 -1.59 120.40 119.56 2cr9 s VAL 42 Ca 0.25 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2cr9 s VAL 42 Cb 0.06 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2cr9 s VAL 42 CO 0.05 0.57 2.94 0.49 0.00 0.00 0.00 175.10 179.16 2cr9 n PHE 43 N 2.67 1.75 -3.77 5.22 3.01 -0.80 -4.75 117.46 120.79 2cr9 n PHE 43 Ca -0.17 -2.45 -0.30 0.00 1.01 0.00 0.00 57.45 55.55 2cr9 n PHE 43 Cb 0.52 -1.92 -0.15 0.00 -0.01 0.00 0.00 39.48 37.92 2cr9 n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2cr9 s SER 44 N 1.35 4.06 0.04 4.37 0.15 -1.26 -2.01 113.70 120.40 2cr9 s SER 44 Ca 0.63 -1.87 0.09 0.00 0.70 0.00 0.00 55.95 55.50 2cr9 s SER 44 Cb 0.25 -0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 63.54 2cr9 s SER 44 CO -0.08 -0.39 -0.25 0.00 1.20 0.00 0.00 173.24 173.72 2cr9 s ALA 45 N 1.31 2.31 -0.38 5.45 0.00 -0.79 -5.04 121.76 124.62 2cr9 s ALA 45 Ca 0.11 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.85 2cr9 s ALA 45 Cb -0.19 -0.52 0.11 0.00 0.00 0.00 0.00 23.12 22.52 2cr9 s ALA 45 CO -0.19 0.54 0.10 0.99 0.00 0.00 0.00 175.76 177.21 2cr9 s THR 46 N -0.82 2.19 0.39 0.00 2.01 -1.26 -1.81 115.64 116.35 2cr9 s THR 46 Ca 0.12 -2.48 -0.20 0.00 0.31 0.00 0.00 61.69 59.44 2cr9 s THR 46 Cb -0.10 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.70 2cr9 s THR 46 CO 0.02 -0.66 0.90 -0.76 -0.69 0.00 0.00 174.62 173.44 2cr9 s LEU 47 N 0.70 4.01 -0.24 4.42 1.02 0.42 -0.62 118.68 128.38 2cr9 s LEU 47 Ca 0.12 1.62 -0.14 0.00 0.02 0.00 0.00 54.13 55.75 2cr9 s LEU 47 Cb -0.20 -4.38 0.07 0.00 0.02 0.00 0.00 46.19 41.70 2cr9 s LEU 47 CO -0.08 -0.29 0.60 -0.83 0.02 0.00 0.00 176.35 175.77 2cr9 s GLY 48 N -2.13 -0.53 0.07 -3.19 0.00 -0.38 -0.26 107.32 100.90 2cr9 s GLY 48 Ca 0.59 2.12 0.07 0.00 0.00 0.00 0.00 44.72 47.49 2cr9 s GLY 48 CO 0.15 2.14 -0.18 -2.27 0.00 0.00 0.00 173.10 172.94 2cr9 s LEU 49 N 1.49 2.24 -0.10 0.66 2.96 0.18 -3.67 118.68 122.43 2cr9 s LEU 49 Ca -0.09 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2cr9 s LEU 49 Cb -0.06 -0.76 0.05 0.00 0.50 0.00 0.00 46.19 45.92 2cr9 s LEU 49 CO -0.17 0.04 0.20 -0.69 -1.32 0.00 0.00 176.35 174.42 2cr9 s VAL 50 N -1.04 -0.29 -0.12 1.68 1.01 -1.26 0.66 120.40 121.03 2cr9 s VAL 50 Ca 0.04 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2cr9 s VAL 50 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2cr9 s VAL 50 CO 0.03 0.13 0.43 -1.81 0.00 0.00 0.00 175.10 173.87 2cr9 s ASP 51 N 2.20 6.62 -0.05 3.32 1.01 0.17 -4.95 116.67 125.00 2cr9 s ASP 51 Ca 0.01 0.74 0.05 0.00 0.71 0.00 0.00 52.55 54.05 2cr9 s ASP 51 Cb -0.12 -2.26 -0.25 0.00 1.01 0.00 0.00 42.92 41.31 2cr9 s ASP 51 CO -0.07 0.04 0.65 -0.29 0.21 0.00 0.00 175.17 175.71 2cr9 h ILE 52 N 4.66 0.88 0.01 0.77 2.10 -1.95 -1.71 117.51 122.27 2cr9 h ILE 52 Ca -0.42 -2.66 -0.00 0.00 1.08 0.00 0.00 64.86 62.87 2cr9 h ILE 52 Cb 1.18 2.52 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 2cr9 h ILE 52 CO 0.75 0.67 -0.00 -0.37 -1.08 0.00 0.00 178.15 178.12 2cr9 h VAL 53 N 0.03 1.06 0.00 2.19 -1.51 -1.97 -3.31 116.25 112.74 2cr9 h VAL 53 Ca -0.30 -1.76 -0.06 0.00 -1.23 0.00 0.00 66.70 63.34 2cr9 h VAL 53 Cb 2.01 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 33.14 2cr9 h VAL 53 CO 0.10 0.35 -0.31 0.11 -1.23 0.00 0.00 177.57 176.59 2cr9 h LYS 54 N -0.99 0.00 -3.80 5.19 1.79 -1.99 -3.46 116.57 113.30 2cr9 h LYS 54 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 2cr9 h LYS 54 Cb 0.59 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.32 2cr9 h LYS 54 CO 0.00 0.31 -0.39 0.41 -1.08 0.00 0.00 179.45 178.70 2cr9 n GLY 55 N -0.20 0.08 3.46 3.86 0.00 -0.69 -5.03 105.19 106.67 2cr9 n GLY 55 Ca -0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2cr9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 56 N -3.19 2.49 -0.22 2.61 -4.23 -0.94 -4.94 115.64 107.23 2cr9 s THR 56 Ca 0.27 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 2cr9 s THR 56 Cb -0.12 -2.24 0.06 0.00 1.34 0.00 0.00 72.50 71.54 2cr9 s THR 56 CO 0.41 -0.23 0.00 0.20 -0.54 0.00 0.00 174.62 174.46 2cr9 s ASN 57 N -3.03 3.41 0.12 3.99 -0.87 -1.26 0.45 114.94 117.75 2cr9 s ASN 57 Ca 0.25 -1.04 0.06 0.00 -1.57 0.00 0.00 52.86 50.56 2cr9 s ASN 57 Cb -0.07 -0.87 -0.04 0.00 -0.02 0.00 0.00 41.25 40.25 2cr9 s ASN 57 CO 0.12 -0.28 -0.03 -0.44 -2.57 0.00 0.00 177.10 173.90 2cr9 s SER 58 N 1.63 4.74 -0.11 -1.22 0.01 0.21 0.15 113.70 119.12 2cr9 s SER 58 Ca -0.02 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 2cr9 s SER 58 Cb -0.18 -1.02 0.05 0.00 0.21 0.00 0.00 66.02 65.08 2cr9 s SER 58 CO -0.08 0.14 0.24 -0.72 0.41 0.00 0.00 173.24 173.23 2cr9 s TYR 59 N -1.43 -0.34 -0.11 2.43 -0.85 -0.99 0.49 117.35 116.55 2cr9 s TYR 59 Ca 0.25 0.81 0.03 0.00 -0.52 0.00 0.00 57.07 57.64 2cr9 s TYR 59 Cb -0.11 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.25 2cr9 s TYR 59 CO 0.17 -0.26 -0.23 -0.47 -1.52 0.00 0.00 175.55 173.24 2cr9 s TYR 60 N 1.53 2.59 -0.02 -3.49 6.14 0.64 -3.52 117.35 121.22 2cr9 s TYR 60 Ca -0.07 -1.08 0.04 0.00 0.64 0.00 0.00 57.07 56.60 2cr9 s TYR 60 Cb -0.11 -1.74 -0.03 0.00 0.42 0.00 0.00 41.96 40.51 2cr9 s TYR 60 CO -0.08 -0.45 -0.14 0.15 0.64 0.00 0.00 175.55 175.67 2cr9 s LYS 61 N 0.43 2.43 -0.02 4.97 -0.14 -0.12 0.16 119.74 127.45 2cr9 s LYS 61 Ca -0.16 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2cr9 s LYS 61 Cb -0.17 -2.36 0.02 0.00 -1.68 0.00 0.00 37.83 33.64 2cr9 s LYS 61 CO 0.07 0.61 0.02 -1.17 -0.76 0.00 0.00 175.35 174.11 2cr9 s LEU 62 N -0.96 1.27 -0.19 3.17 2.96 -0.75 -1.33 118.68 122.85 2cr9 s LEU 62 Ca 0.13 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.97 2cr9 s LEU 62 Cb -0.11 -0.10 0.08 0.00 0.50 0.00 0.00 46.19 46.56 2cr9 s LEU 62 CO 0.02 -0.10 0.42 -1.10 -1.32 0.00 0.00 176.35 174.28 2cr9 s GLN 63 N 0.86 0.35 -0.19 1.98 -0.21 -1.12 -1.89 119.66 119.43 2cr9 s GLN 63 Ca -0.08 0.96 -0.12 0.00 0.02 0.00 0.00 55.36 56.14 2cr9 s GLN 63 Cb -0.11 0.21 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 2cr9 s GLN 63 CO -0.02 -0.22 0.21 -1.17 -2.12 0.00 0.00 175.29 171.97 2cr9 s LEU 64 N 2.19 4.21 -0.01 2.90 2.96 -0.85 -3.07 118.68 127.01 2cr9 s LEU 64 Ca -0.04 0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 2cr9 s LEU 64 Cb -0.11 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2cr9 s LEU 64 CO -0.13 0.12 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.09 2cr9 s LEU 65 N 0.55 2.62 -0.03 -0.68 2.01 -1.24 0.14 118.68 122.05 2cr9 s LEU 65 Ca 0.12 -0.30 0.07 0.00 0.01 0.00 0.00 54.13 54.03 2cr9 s LEU 65 Cb -0.12 -1.53 -0.02 0.00 0.01 0.00 0.00 46.19 44.53 2cr9 s LEU 65 CO 0.02 0.31 -0.25 -1.83 1.01 0.00 0.00 176.35 175.60 2cr9 s GLU 66 N -0.98 2.26 0.02 1.70 -1.05 0.24 -1.51 118.70 119.39 2cr9 s GLU 66 Ca 0.13 -0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 2cr9 s GLU 66 Cb -0.11 -2.09 -0.08 0.00 -0.44 0.00 0.00 34.13 31.41 2cr9 s GLU 66 CO 0.02 0.50 1.92 0.34 0.95 0.00 0.00 175.26 179.00 2cr9 s ASP 67 N -0.47 6.48 -0.29 0.83 2.15 0.53 -2.91 116.67 123.00 2cr9 s ASP 67 Ca 0.06 2.61 -0.03 0.00 0.43 0.00 0.00 52.55 55.61 2cr9 s ASP 67 Cb -0.11 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 2cr9 s ASP 67 CO 0.01 -1.04 2.77 -0.67 -0.17 0.00 0.00 175.17 176.06 2cr9 n ASP 68 N 7.48 6.10 0.10 -0.34 2.03 -1.26 -3.86 116.55 126.80 2cr9 n ASP 68 Ca 0.20 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.56 2cr9 n ASP 68 Cb 0.41 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2cr9 n LYS 69 N 1.20 0.00 -1.91 -0.67 5.02 -1.26 -5.09 118.16 115.45 2cr9 n LYS 69 Ca 0.40 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2cr9 n LYS 69 Cb 0.64 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.65 2cr9 n LYS 69 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cr9 n GLU 70 N -2.88 1.88 -2.08 1.97 1.02 -1.25 -5.03 120.64 114.28 2cr9 n GLU 70 Ca 0.00 -0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.74 2cr9 n GLU 70 Cb 0.00 0.01 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2cr9 n ASN 71 N -1.23 7.53 -4.45 1.62 4.13 -1.26 -4.41 115.26 117.19 2cr9 n ASN 71 Ca -0.00 -3.38 -0.28 0.00 1.68 0.00 0.00 54.58 52.59 2cr9 n ASN 71 Cb 0.00 -1.25 -0.12 0.00 -1.54 0.00 0.00 39.78 36.87 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2cr9 s ARG 72 N -2.47 1.64 0.15 3.52 0.52 -1.26 -4.69 118.95 116.36 2cr9 s ARG 72 Ca 0.50 -1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2cr9 s ARG 72 Cb 0.25 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 2cr9 s ARG 72 CO -0.16 0.44 0.26 0.71 0.02 0.00 0.00 175.30 176.57 2cr9 s TYR 73 N -1.33 0.36 0.31 -0.53 1.51 -1.22 0.20 117.35 116.65 2cr9 s TYR 73 Ca 0.18 -0.74 0.03 0.00 -1.01 0.00 0.00 57.07 55.54 2cr9 s TYR 73 Cb -0.09 -0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.63 2cr9 s TYR 73 CO 0.09 -0.68 0.09 -1.58 -1.11 0.00 0.00 175.55 172.37 2cr9 s TRP 74 N -3.95 1.75 -0.23 2.71 0.51 -0.57 0.99 118.94 120.16 2cr9 s TRP 74 Ca 0.15 -1.12 -0.04 0.00 -2.12 0.00 0.00 56.10 52.97 2cr9 s TRP 74 Cb 0.04 -1.09 0.08 0.00 -0.81 0.00 0.00 33.47 31.69 2cr9 s TRP 74 CO -0.02 -0.20 0.12 0.42 -0.51 0.00 0.00 176.95 176.75 2cr9 s ILE 75 N -3.49 -0.09 -0.19 2.03 -1.09 0.22 -3.61 121.20 114.97 2cr9 s ILE 75 Ca 0.35 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 2cr9 s ILE 75 Cb 0.07 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 40.12 2cr9 s ILE 75 CO 0.15 -0.51 0.09 0.12 -1.23 0.00 0.00 174.94 173.56 2cr9 s PHE 76 N 2.13 3.30 -0.09 3.97 5.36 -1.17 -1.72 117.98 129.75 2cr9 s PHE 76 Ca 0.06 0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 56.15 2cr9 s PHE 76 Cb -0.16 -2.13 0.04 0.00 -0.34 0.00 0.00 43.02 40.43 2cr9 s PHE 76 CO -0.24 0.17 0.05 -0.98 -1.46 0.00 0.00 175.22 172.77 2cr9 s ARG 77 N 0.47 0.14 0.06 10.12 1.70 0.24 -2.80 118.95 128.88 2cr9 s ARG 77 Ca 0.05 0.16 0.05 0.00 -0.47 0.00 0.00 55.73 55.52 2cr9 s ARG 77 Cb -0.12 -1.02 -0.04 0.00 -0.57 0.00 0.00 34.95 33.20 2cr9 s ARG 77 CO 0.00 -0.43 -0.05 0.45 -1.08 0.00 0.00 175.30 174.20 2cr9 s SER 78 N 2.10 4.74 0.21 -2.89 0.15 -0.44 -0.91 113.70 116.66 2cr9 s SER 78 Ca 0.04 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 2cr9 s SER 78 Cb -0.13 -1.07 0.01 0.00 -1.71 0.00 0.00 66.02 63.11 2cr9 s SER 78 CO -0.05 0.22 0.31 -2.67 1.20 0.00 0.00 173.24 172.25 2cr9 n TRP 79 N 0.96 -1.15 0.00 3.44 2.14 -0.83 -0.95 117.44 121.04 2cr9 n TRP 79 Ca -0.13 -1.32 0.00 0.00 2.07 0.00 0.00 57.50 58.12 2cr9 n TRP 79 Cb 0.52 0.36 0.00 0.00 -0.81 0.00 0.00 31.31 31.38 2cr9 n TRP 79 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2cr9 n GLY 80 N -0.33 3.12 3.70 -1.67 0.00 -1.23 -2.44 105.19 106.34 2cr9 n GLY 80 Ca -0.01 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2cr9 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr9 s ARG 81 N -3.32 1.53 0.02 1.61 3.00 -0.64 -2.35 118.95 118.79 2cr9 s ARG 81 Ca 0.00 1.52 -0.20 0.00 0.00 0.00 0.00 55.73 57.05 2cr9 s ARG 81 Cb 0.00 -1.79 -0.20 0.00 0.00 0.00 0.00 34.95 32.97 2cr9 s ARG 81 CO 0.00 -2.24 1.18 0.28 0.00 0.00 0.00 175.30 174.52 2cr9 h VAL 82 N -1.36 1.41 -1.84 3.52 2.07 0.10 -3.41 116.25 116.75 2cr9 h VAL 82 Ca -0.44 -1.82 -0.49 0.00 0.82 0.00 0.00 66.70 64.77 2cr9 h VAL 82 Cb 1.27 2.34 -0.33 0.00 -1.52 0.00 0.00 31.29 33.05 2cr9 h VAL 82 CO 0.45 0.53 -0.92 0.61 0.02 0.00 0.00 177.57 178.27 2cr9 n GLY 83 N 0.77 1.83 0.88 2.17 0.00 -1.26 -4.97 105.19 104.60 2cr9 n GLY 83 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2cr9 n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cr9 n THR 84 N 2.26 0.00 0.00 2.61 -1.04 -1.26 -4.99 114.28 111.86 2cr9 n THR 84 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2cr9 n THR 84 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2cr9 n THR 84 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2cr9 n VAL 85 N -1.66 0.00 -1.66 12.58 0.31 -1.26 -5.11 118.33 121.54 2cr9 n VAL 85 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 2cr9 n VAL 85 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2cr9 n ILE 86 N -2.21 0.86 0.00 2.52 5.41 -1.26 -4.89 119.36 119.78 2cr9 n ILE 86 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2cr9 n ILE 86 Cb 0.00 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 2cr9 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cr9 n GLY 87 N 2.24 -0.58 3.37 7.39 0.00 -1.26 -1.62 105.19 114.73 2cr9 n GLY 87 Ca 0.12 0.83 -0.11 0.00 0.00 0.00 0.00 46.02 46.87 2cr9 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr9 s SER 88 N 0.00 0.10 0.01 1.61 0.01 -1.02 -5.00 113.70 109.41 2cr9 s SER 88 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2cr9 s SER 88 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2cr9 s SER 88 CO 0.00 -0.98 -0.02 0.54 0.41 0.00 0.00 173.24 173.18 2cr9 s ASN 89 N -3.11 0.21 -0.01 2.44 4.22 -1.26 -1.97 114.94 115.46 2cr9 s ASN 89 Ca 0.32 -0.15 0.07 0.00 -2.14 0.00 0.00 52.86 50.96 2cr9 s ASN 89 Cb 0.03 0.01 -0.02 0.00 1.28 0.00 0.00 41.25 42.56 2cr9 s ASN 89 CO 0.11 -0.06 -0.22 -0.75 -2.04 0.00 0.00 177.10 174.14 2cr9 s LYS 90 N -0.42 1.78 -0.02 3.55 2.47 -0.09 -4.98 119.74 122.04 2cr9 s LYS 90 Ca -0.03 -0.81 0.02 0.00 -1.56 0.00 0.00 55.97 53.58 2cr9 s LYS 90 Cb -0.03 -1.74 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 2cr9 s LYS 90 CO -0.00 0.47 -0.06 -1.17 0.16 0.00 0.00 175.35 174.76 2cr9 s LEU 91 N -0.57 1.78 0.01 5.43 2.96 -1.25 -0.59 118.68 126.45 2cr9 s LEU 91 Ca 0.09 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2cr9 s LEU 91 Cb -0.09 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.23 2cr9 s LEU 91 CO -0.01 0.03 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.42 2cr9 s GLU 92 N 0.20 0.21 -0.28 1.98 2.02 -0.70 -4.93 118.70 117.20 2cr9 s GLU 92 Ca -0.02 -0.35 -0.19 0.00 0.02 0.00 0.00 54.97 54.44 2cr9 s GLU 92 Cb -0.07 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.13 2cr9 s GLU 92 CO -0.00 -0.01 0.55 -1.14 0.02 0.00 0.00 175.26 174.68 2cr9 s GLN 93 N -0.78 3.98 0.29 1.61 -0.44 -1.26 0.70 119.66 123.76 2cr9 s GLN 93 Ca -0.08 0.27 -0.18 0.00 -2.50 0.00 0.00 55.36 52.88 2cr9 s GLN 93 Cb -0.05 -3.69 -0.09 0.00 -1.64 0.00 0.00 33.01 27.54 2cr9 s GLN 93 CO -0.00 -0.44 0.75 -1.64 0.50 0.00 0.00 175.29 174.46 2cr9 s MET 94 N 2.40 4.14 -0.06 1.67 -1.94 0.28 -4.95 119.30 120.83 2cr9 s MET 94 Ca 0.22 0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 54.88 2cr9 s MET 94 Cb -0.15 -2.62 -0.08 0.00 2.01 0.00 0.00 34.83 33.99 2cr9 s MET 94 CO 0.10 0.25 0.50 -1.00 -0.01 0.00 0.00 175.02 174.86 2cr9 h PRO 95 N 2.75 -0.27 -6.14 2.03 0.13 -1.92 -3.22 132.00 125.36 2cr9 h PRO 95 Ca -0.48 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 2cr9 h PRO 95 Cb 1.18 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 2cr9 h PRO 95 CO 0.65 -0.05 -0.56 0.45 -0.23 0.00 0.00 178.00 178.26 2cr9 s SER 96 N -5.30 4.78 0.17 1.44 0.15 -1.26 -4.69 113.70 108.98 2cr9 s SER 96 Ca -0.07 -0.66 -0.14 0.00 0.70 0.00 0.00 55.95 55.78 2cr9 s SER 96 Cb 0.00 -0.86 0.06 0.00 -1.71 0.00 0.00 66.02 63.52 2cr9 s SER 96 CO 0.24 -0.19 1.80 0.50 1.20 0.00 0.00 173.24 176.80 2cr9 h LYS 97 N 1.62 0.72 0.17 5.44 3.64 -1.91 -1.83 116.57 124.42 2cr9 h LYS 97 Ca -0.44 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2cr9 h LYS 97 Cb 1.25 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2cr9 h LYS 97 CO 0.62 0.52 -0.10 0.93 -2.27 0.00 0.00 179.45 179.15 2cr9 h GLU 98 N 0.71 -0.25 -0.61 1.90 5.08 -1.97 0.36 114.58 119.80 2cr9 h GLU 98 Ca 0.19 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.74 2cr9 h GLU 98 Cb -0.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2cr9 h GLU 98 CO -0.04 -0.17 0.50 -0.44 -1.00 0.00 0.00 179.01 177.86 2cr9 h ASP 99 N -0.26 0.00 0.40 1.42 3.32 -1.90 1.76 116.42 121.16 2cr9 h ASP 99 Ca -0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 2cr9 h ASP 99 Cb 0.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.78 2cr9 h ASP 99 CO 0.02 0.00 -1.47 0.00 -1.72 0.00 0.00 179.24 176.07 2cr9 h ALA 100 N 1.58 0.06 0.07 3.45 0.00 -0.33 -2.98 119.26 121.11 2cr9 h ALA 100 Ca 0.29 -0.97 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2cr9 h ALA 100 Cb 1.28 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2cr9 h ALA 100 CO -0.00 0.93 -0.03 0.82 0.00 0.00 0.00 179.25 180.97 2cr9 h ILE 101 N 0.10 1.24 -0.36 0.00 2.04 0.40 -1.69 117.51 119.23 2cr9 h ILE 101 Ca -0.23 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.41 2cr9 h ILE 101 Cb 2.07 2.04 -0.09 0.00 -0.74 0.00 0.00 36.82 40.11 2cr9 h ILE 101 CO 0.21 0.31 -0.31 -0.33 0.00 0.00 0.00 178.15 178.03 2cr9 h GLU 102 N -0.70 -0.25 -0.27 2.37 5.08 0.22 1.82 114.58 122.86 2cr9 h GLU 102 Ca -0.01 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2cr9 h GLU 102 Cb 0.57 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2cr9 h GLU 102 CO 0.02 -0.16 0.07 1.25 -1.00 0.00 0.00 179.01 179.18 2cr9 h HIS 103 N -0.26 0.11 -0.89 4.33 2.76 -1.59 1.38 115.15 121.00 2cr9 h HIS 103 Ca 0.17 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2cr9 h HIS 103 Cb 0.53 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 2cr9 h HIS 103 CO -0.51 0.04 0.49 0.35 -1.30 0.00 0.00 177.93 177.01 2cr9 h PHE 104 N 0.17 1.21 -0.03 5.26 3.57 -0.15 1.71 116.94 128.69 2cr9 h PHE 104 Ca 0.12 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 2cr9 h PHE 104 Cb 0.11 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 2cr9 h PHE 104 CO -0.15 0.83 -0.73 0.52 -2.23 0.00 0.00 178.31 176.55 2cr9 h MET 105 N 1.24 0.17 0.07 1.11 2.86 0.35 -2.54 114.93 118.20 2cr9 h MET 105 Ca 0.31 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 2cr9 h MET 105 Cb 0.01 0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.72 2cr9 h MET 105 CO -0.05 0.82 -0.48 -0.22 1.06 0.00 0.00 176.91 178.04 2cr9 h LYS 106 N 0.11 0.20 0.01 1.72 3.64 0.24 -2.89 116.57 119.60 2cr9 h LYS 106 Ca -0.02 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 2cr9 h LYS 106 Cb 1.29 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 2cr9 h LYS 106 CO 0.11 1.13 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.87 2cr9 h LEU 107 N -0.58 -1.44 0.00 5.20 3.38 0.25 0.67 115.31 122.80 2cr9 h LEU 107 Ca -0.08 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2cr9 h LEU 107 Cb 1.35 0.55 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2cr9 h LEU 107 CO 0.09 -0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.13 2cr9 n TYR 108 N -5.46 0.00 0.05 1.13 9.36 -0.96 -0.57 117.16 120.71 2cr9 n TYR 108 Ca -0.07 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.27 2cr9 n TYR 108 Cb 0.39 -0.48 -0.08 0.00 -0.63 0.00 0.00 39.34 38.54 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2cr9 n GLU 109 N -1.48 0.63 0.10 2.98 2.13 0.19 -3.43 120.64 121.76 2cr9 n GLU 109 Ca 0.01 -0.02 -0.23 0.00 0.66 0.00 0.00 57.16 57.58 2cr9 n GLU 109 Cb 0.06 -1.69 -0.15 0.00 0.27 0.00 0.00 31.44 29.93 2cr9 n GLU 109 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2cr9 h GLU 110 N 0.00 0.45 0.40 5.31 4.11 0.23 0.17 114.58 125.25 2cr9 h GLU 110 Ca -0.00 -0.76 -0.02 0.00 0.07 0.00 0.00 59.36 58.65 2cr9 h GLU 110 Cb 1.01 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2cr9 h GLU 110 CO 0.00 1.36 -0.19 0.87 0.07 0.00 0.00 179.01 181.12 2cr9 h LYS 111 N -0.01 -0.52 0.00 1.06 1.79 -1.64 -3.21 116.57 114.04 2cr9 h LYS 111 Ca -0.25 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.19 2cr9 h LYS 111 Cb 2.02 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.78 2cr9 h LYS 111 CO 0.22 -0.35 -0.28 1.79 -1.08 0.00 0.00 179.45 179.75 2cr9 h THR 112 N -0.74 0.85 0.00 -0.16 1.35 -1.60 -2.25 112.91 110.35 2cr9 h THR 112 Ca -0.06 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2cr9 h THR 112 Cb 0.42 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2cr9 h THR 112 CO 0.09 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2cr9 n GLY 113 N -0.23 2.54 3.72 5.82 0.00 0.59 -4.54 105.19 113.09 2cr9 n GLY 113 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2cr9 n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cr9 s ASN 114 N -3.39 5.29 0.52 1.61 0.01 -1.14 -4.85 114.94 112.99 2cr9 s ASN 114 Ca 0.00 -0.02 -0.22 0.00 -0.71 0.00 0.00 52.86 51.91 2cr9 s ASN 114 Cb 0.00 -1.39 -0.06 0.00 0.41 0.00 0.00 41.25 40.21 2cr9 s ASN 114 CO 0.00 0.23 1.33 0.00 -1.51 0.00 0.00 177.10 177.15 2cr9 s ALA 115 N -1.23 2.90 0.63 0.60 0.00 -1.26 -4.06 121.76 119.34 2cr9 s ALA 115 Ca 0.24 1.27 0.31 0.00 0.00 0.00 0.00 51.96 53.78 2cr9 s ALA 115 Cb -0.12 -3.53 1.67 0.00 0.00 0.00 0.00 23.12 21.13 2cr9 s ALA 115 CO 0.16 -1.21 1.98 2.35 0.00 0.00 0.00 175.76 179.04 2cr9 h TRP 116 N 1.68 0.00 -2.22 0.00 2.91 -1.87 -3.22 115.95 113.23 2cr9 h TRP 116 Ca -0.51 0.00 -0.45 0.00 1.13 0.00 0.00 58.89 59.07 2cr9 h TRP 116 Cb 1.29 0.00 -0.34 0.00 -0.51 0.00 0.00 29.16 29.59 2cr9 h TRP 116 CO 0.48 0.00 -0.74 -1.01 -1.03 0.00 0.00 178.44 176.13 2cr9 s HIS 117 N -4.32 0.07 -0.45 2.65 3.76 -1.26 -5.04 115.29 110.69 2cr9 s HIS 117 Ca -0.04 -1.06 0.06 0.00 -0.15 0.00 0.00 55.06 53.87 2cr9 s HIS 117 Cb 0.12 -0.61 0.18 0.00 1.11 0.00 0.00 32.58 33.38 2cr9 s HIS 117 CO 0.40 -0.91 0.56 -1.12 -0.85 0.00 0.00 174.74 172.82 2cr9 s SER 118 N 1.40 -0.33 0.19 1.40 0.01 -1.22 -5.13 113.70 110.02 2cr9 s SER 118 Ca 0.16 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 55.57 2cr9 s SER 118 Cb -0.18 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.19 2cr9 s SER 118 CO -0.05 -0.14 0.00 0.29 0.41 0.00 0.00 173.24 173.75 2cr9 n LYS 119 N 3.40 0.00 -0.65 12.44 4.76 -1.26 -4.62 118.16 132.23 2cr9 n LYS 119 Ca 0.18 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.35 2cr9 n LYS 119 Cb 0.52 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.86 2cr9 n LYS 119 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cr9 n ASN 120 N -3.81 -2.69 -4.60 4.39 4.13 -1.26 -4.99 115.26 106.43 2cr9 n ASN 120 Ca 0.00 -0.22 -0.32 0.00 1.68 0.00 0.00 54.58 55.72 2cr9 n ASN 120 Cb 0.00 -0.83 -0.10 0.00 -1.54 0.00 0.00 39.78 37.31 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2cr9 s PHE 121 N -2.15 2.91 -0.28 3.10 5.36 -1.26 -5.07 117.98 120.59 2cr9 s PHE 121 Ca 0.46 -0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.39 2cr9 s PHE 121 Cb -0.07 -1.62 0.04 0.00 -0.34 0.00 0.00 43.02 41.03 2cr9 s PHE 121 CO 0.54 0.38 -0.03 0.99 -1.46 0.00 0.00 175.22 175.64 2cr9 s THR 122 N -1.00 2.92 -0.78 0.12 2.01 -1.26 -5.04 115.64 112.62 2cr9 s THR 122 Ca 0.17 -1.25 -0.25 0.00 0.31 0.00 0.00 61.69 60.66 2cr9 s THR 122 Cb -0.11 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 2cr9 s THR 122 CO 0.07 0.01 2.04 -0.75 -0.69 0.00 0.00 174.62 175.30 2cr9 s LYS 123 N 1.28 2.38 0.67 4.92 2.36 -1.26 -4.94 119.74 125.14 2cr9 s LYS 123 Ca -0.03 0.20 -0.07 0.00 -2.55 0.00 0.00 55.97 53.51 2cr9 s LYS 123 Cb -0.19 -4.81 0.03 0.00 -1.05 0.00 0.00 37.83 31.82 2cr9 s LYS 123 CO -0.02 -3.38 0.99 0.71 1.55 0.00 0.00 175.35 175.20 2cr9 s TYR 124 N 10.76 3.12 -0.09 4.03 2.02 -1.26 -5.02 117.35 130.90 2cr9 s TYR 124 Ca 0.75 0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 57.80 2cr9 s TYR 124 Cb -0.10 -3.01 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2cr9 s TYR 124 CO 0.08 -1.16 1.24 -1.25 -1.57 0.00 0.00 175.55 172.89 2cr9 s PRO 125 N -5.19 4.30 0.00 -1.71 0.04 -1.26 -3.33 135.00 127.86 2cr9 s PRO 125 Ca 0.57 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2cr9 s PRO 125 Cb -0.11 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2cr9 s PRO 125 CO 0.46 -0.56 0.00 1.63 0.04 0.00 0.00 177.00 178.58 2cr9 n LYS 126 N 5.76 0.00 -1.53 4.56 5.02 -1.26 -4.97 118.16 125.73 2cr9 n LYS 126 Ca 0.12 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.94 2cr9 n LYS 126 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 2cr9 n LYS 126 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cr9 n LYS 127 N 0.00 0.88 -2.99 1.97 4.76 -1.21 -4.91 118.16 116.65 2cr9 n LYS 127 Ca 0.00 0.31 -0.35 0.00 -2.87 0.00 0.00 58.31 55.40 2cr9 n LYS 127 Cb 0.00 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 31.53 2cr9 n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cr9 s PHE 128 N -0.83 3.57 0.31 2.13 0.40 -0.85 -4.70 117.98 118.02 2cr9 s PHE 128 Ca 0.64 1.49 0.09 0.00 -0.60 0.00 0.00 56.93 58.55 2cr9 s PHE 128 Cb -0.82 -2.71 -0.06 0.00 0.51 0.00 0.00 43.02 39.94 2cr9 s PHE 128 CO 0.57 0.21 -0.11 1.52 0.70 0.00 0.00 175.22 178.11 2cr9 s TYR 129 N -1.71 2.26 -0.06 0.36 -0.85 -1.24 -3.53 117.35 112.58 2cr9 s TYR 129 Ca 0.49 -0.52 -0.30 0.00 -0.52 0.00 0.00 57.07 56.22 2cr9 s TYR 129 Cb -0.15 -1.24 -0.03 0.00 0.38 0.00 0.00 41.96 40.92 2cr9 s TYR 129 CO 0.20 0.53 1.22 -1.25 -1.52 0.00 0.00 175.55 174.74 2cr9 s PRO 130 N -3.62 4.33 -0.15 -3.49 0.04 -1.26 -1.25 135.00 129.61 2cr9 s PRO 130 Ca 0.31 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 2cr9 s PRO 130 Cb 0.01 -3.58 -0.20 0.00 0.04 0.00 0.00 34.50 30.78 2cr9 s PRO 130 CO 0.15 -0.48 0.51 -0.07 0.04 0.00 0.00 177.00 177.14 2cr9 h LEU 131 N 8.35 0.00 -6.25 -3.56 3.38 -1.20 -3.38 115.31 112.65 2cr9 h LEU 131 Ca -0.34 -0.71 -0.66 0.00 0.09 0.00 0.00 57.88 56.26 2cr9 h LEU 131 Cb 1.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.92 2cr9 h LEU 131 CO 0.89 0.99 2.62 1.21 0.09 0.00 0.00 178.44 184.25 2cr9 n GLU 132 N -4.61 2.02 -2.02 1.13 2.13 -1.26 -4.92 120.64 113.11 2cr9 n GLU 132 Ca -0.12 -2.09 -0.33 0.00 0.66 0.00 0.00 57.16 55.27 2cr9 n GLU 132 Cb 0.43 -3.03 0.02 0.00 0.27 0.00 0.00 31.44 29.13 2cr9 n GLU 132 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2cr9 s ILE 133 N 4.29 3.46 -0.01 6.31 1.01 -1.26 -4.97 121.20 130.03 2cr9 s ILE 133 Ca 0.53 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.91 2cr9 s ILE 133 Cb 0.14 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 2cr9 s ILE 133 CO 0.04 -0.36 0.05 -0.55 0.00 0.00 0.00 174.94 174.12 2cr9 s SER 134 N -2.43 0.03 0.73 3.58 0.15 -1.26 -5.11 113.70 109.39 2cr9 s SER 134 Ca 0.67 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2cr9 s SER 134 Cb -0.19 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2cr9 s SER 134 CO 0.35 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2cr9 n GLY 135 N 2.39 0.87 3.69 9.45 0.00 -1.26 -4.77 105.19 115.56 2cr9 n GLY 135 Ca -0.17 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2cr9 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr9 n PRO 136 N 0.00 -2.21 -0.09 1.61 -0.04 -1.26 -5.04 135.00 127.97 2cr9 n PRO 136 Ca 0.00 -1.91 -0.18 0.00 -0.04 0.00 0.00 63.50 61.37 2cr9 n PRO 136 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2cr9 n PRO 136 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr9 n SER 137 N -4.36 1.38 0.20 3.54 7.64 -1.26 -4.69 113.62 116.07 2cr9 n SER 137 Ca 0.16 0.24 -0.15 0.00 1.01 0.00 0.00 58.87 60.13 2cr9 n SER 137 Cb 0.58 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 2cr9 n SER 137 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2cr9 h SER 138 N -0.67 -0.38 0.00 6.43 0.87 -2.00 -3.47 113.55 114.33 2cr9 h SER 138 Ca -0.39 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2cr9 h SER 138 Cb 1.29 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2cr9 h SER 138 CO -0.24 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 176.45