#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 0.23 1.61 0.15 -1.26 -5.19 113.70 109.14 2cr9 s SER 2 Ca 0.00 0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.69 2cr9 s SER 2 Cb 0.00 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2cr9 s SER 2 CO 0.00 -0.04 0.53 -0.94 1.20 0.00 0.00 173.24 173.99 2cr9 s SER 3 N 0.01 -0.18 0.00 5.45 1.04 -1.26 -5.15 113.70 113.62 2cr9 s SER 3 Ca 0.07 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2cr9 s SER 3 Cb -0.05 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2cr9 s SER 3 CO -0.14 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2cr9 n GLY 4 N -0.37 0.84 3.33 7.32 0.00 -1.26 -5.19 105.19 109.86 2cr9 n GLY 4 Ca -0.05 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 1.95 0.20 1.61 0.15 -1.26 -5.17 113.70 111.18 2cr9 s SER 5 Ca 0.00 -1.18 -0.16 0.00 0.70 0.00 0.00 55.95 55.31 2cr9 s SER 5 Cb 0.00 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2cr9 s SER 5 CO 0.00 -0.45 0.49 -0.44 1.20 0.00 0.00 173.24 174.03 2cr9 s SER 6 N -3.30 -0.20 0.09 5.45 0.01 -1.26 -5.15 113.70 109.34 2cr9 s SER 6 Ca 0.26 -0.57 -0.28 0.00 1.31 0.00 0.00 55.95 56.67 2cr9 s SER 6 Cb 0.05 0.56 -0.06 0.00 0.21 0.00 0.00 66.02 66.78 2cr9 s SER 6 CO 0.08 -1.04 0.90 -0.83 0.41 0.00 0.00 173.24 172.75 2cr9 s GLY 7 N -2.90 2.94 0.11 3.44 0.00 -1.26 -5.04 107.32 104.60 2cr9 s GLY 7 Ca 0.11 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.16 2cr9 s GLY 7 CO -0.01 1.34 0.37 -1.59 0.00 0.00 0.00 173.10 173.21 2cr9 s LYS 8 N -0.02 1.02 0.42 2.90 0.00 -1.26 -5.13 119.74 117.66 2cr9 s LYS 8 Ca 0.44 -0.69 0.00 0.00 0.00 0.00 0.00 55.97 55.72 2cr9 s LYS 8 Cb -0.22 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.05 2cr9 s LYS 8 CO 0.28 -0.38 0.00 0.43 0.00 0.00 0.00 175.35 175.67 2cr9 n SER 9 N -0.10 -7.45 -3.62 0.03 7.64 -1.26 -5.06 113.62 103.80 2cr9 n SER 9 Ca -0.16 0.90 -0.03 0.00 1.01 0.00 0.00 58.87 60.59 2cr9 n SER 9 Cb 0.63 -4.02 -0.01 0.00 -1.01 0.00 0.00 64.21 59.79 2cr9 n SER 9 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2cr9 s GLU 10 N -3.11 0.60 -1.21 1.43 1.03 -1.26 -5.07 118.70 111.11 2cr9 s GLU 10 Ca 0.00 -0.29 -0.10 0.00 0.03 0.00 0.00 54.97 54.60 2cr9 s GLU 10 Cb 0.00 0.23 0.20 0.00 -0.80 0.00 0.00 34.13 33.76 2cr9 s GLU 10 CO 0.00 -0.27 1.54 1.63 -1.33 0.00 0.00 175.26 176.83 2cr9 n LYS 11 N -0.34 3.61 -3.61 -4.83 4.01 -1.26 -4.87 118.16 110.87 2cr9 n LYS 11 Ca -0.06 -3.92 -0.29 0.00 -0.51 0.00 0.00 58.31 53.53 2cr9 n LYS 11 Cb 0.61 -2.87 -0.15 0.00 -0.51 0.00 0.00 35.03 32.11 2cr9 n LYS 11 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2cr9 s ARG 12 N 0.24 0.46 0.60 1.97 3.00 -1.26 -5.09 118.95 118.87 2cr9 s ARG 12 Ca 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 55.73 55.25 2cr9 s ARG 12 Cb 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 34.95 33.45 2cr9 s ARG 12 CO 0.00 -1.03 0.00 -1.33 0.00 0.00 0.00 175.30 172.94 2cr9 n MET 13 N 4.91 -3.76 -1.51 3.54 2.81 -1.26 -4.74 117.12 117.11 2cr9 n MET 13 Ca -0.02 2.98 -0.46 0.00 -1.81 0.00 0.00 57.70 58.38 2cr9 n MET 13 Cb 0.41 -3.93 -0.02 0.00 -0.71 0.00 0.00 33.22 28.96 2cr9 n MET 13 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2cr9 n LYS 14 N -3.31 0.80 -3.22 0.03 4.01 -1.26 -4.94 118.16 110.27 2cr9 n LYS 14 Ca -0.04 0.28 -0.20 0.00 -0.51 0.00 0.00 58.31 57.84 2cr9 n LYS 14 Cb 0.56 -1.51 -0.07 0.00 -0.51 0.00 0.00 35.03 33.50 2cr9 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2cr9 s LEU 15 N 1.45 0.48 0.00 -0.35 1.43 -1.26 -5.12 118.68 115.31 2cr9 s LEU 15 Ca 0.62 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 2cr9 s LEU 15 Cb -0.80 0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2cr9 s LEU 15 CO 0.58 -0.15 0.00 1.07 0.23 0.00 0.00 176.35 178.08 2cr9 n THR 16 N 3.01 0.00 -3.01 5.49 5.66 -1.26 -4.29 114.28 119.88 2cr9 n THR 16 Ca 0.25 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.81 2cr9 n THR 16 Cb 0.50 -0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 69.15 2cr9 n THR 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2cr9 s LEU 17 N 0.00 4.54 -0.28 1.09 1.02 -1.26 -4.98 118.68 118.82 2cr9 s LEU 17 Ca 0.00 -0.61 -0.13 0.00 0.02 0.00 0.00 54.13 53.41 2cr9 s LEU 17 Cb 0.00 -2.64 0.10 0.00 0.02 0.00 0.00 46.19 43.67 2cr9 s LEU 17 CO 0.00 -1.03 0.65 -0.54 0.02 0.00 0.00 176.35 175.45 2cr9 s LYS 18 N 3.23 0.62 0.00 1.70 -0.14 -1.26 -5.14 119.74 118.75 2cr9 s LYS 18 Ca 0.23 1.30 0.00 0.00 -1.36 0.00 0.00 55.97 56.14 2cr9 s LYS 18 Cb -0.16 0.47 0.00 0.00 -1.68 0.00 0.00 37.83 36.46 2cr9 s LYS 18 CO 0.16 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.98 2cr9 n GLY 19 N 4.86 2.83 0.00 -3.33 0.00 -1.26 -5.05 105.19 103.23 2cr9 n GLY 19 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.37 3.15 3.78 -0.02 0.00 -1.26 -5.11 105.19 106.11 2cr9 n GLY 20 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.59 2.06 0.33 4.61 0.00 -1.26 -4.98 121.76 119.93 2cr9 s ALA 21 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 2cr9 s ALA 21 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2cr9 s ALA 21 CO 0.00 -1.91 0.96 0.00 0.00 0.00 0.00 175.76 174.81 2cr9 s ALA 22 N -3.10 3.20 0.26 0.00 0.00 -1.26 -3.91 121.76 116.94 2cr9 s ALA 22 Ca 0.62 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 2cr9 s ALA 22 Cb -0.15 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2cr9 s ALA 22 CO 0.55 0.13 0.47 0.08 0.00 0.00 0.00 175.76 176.98 2cr9 s VAL 23 N -1.61 5.13 0.28 0.00 1.01 -1.26 -4.81 120.40 119.14 2cr9 s VAL 23 Ca 0.51 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 2cr9 s VAL 23 Cb -0.19 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2cr9 s VAL 23 CO 0.24 -0.29 0.95 -1.81 0.00 0.00 0.00 175.10 174.19 2cr9 s ASP 24 N -3.33 7.50 0.48 3.32 1.11 -1.26 -4.79 116.67 119.71 2cr9 s ASP 24 Ca 0.40 1.91 0.27 0.00 0.18 0.00 0.00 52.55 55.31 2cr9 s ASP 24 Cb -0.11 -2.60 0.82 0.00 1.07 0.00 0.00 42.92 42.10 2cr9 s ASP 24 CO 0.30 0.05 1.78 1.55 1.18 0.00 0.00 175.17 180.04 2cr9 h PRO 25 N 3.71 0.00 0.00 8.23 0.13 -1.97 -2.65 132.00 139.44 2cr9 h PRO 25 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cr9 h PRO 25 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2cr9 h PRO 25 CO 0.67 0.05 0.00 -0.44 -0.23 0.00 0.00 178.00 178.05 2cr9 h ASP 26 N 0.00 0.00 0.92 1.44 3.32 -2.02 -2.67 116.42 117.40 2cr9 h ASP 26 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2cr9 h ASP 26 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2cr9 h ASP 26 CO 0.01 0.00 -1.06 0.77 -1.72 0.00 0.00 179.24 177.23 2cr9 h SER 27 N 0.00 0.09 0.00 6.45 4.64 -1.87 -3.47 113.55 119.38 2cr9 h SER 27 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2cr9 h SER 27 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2cr9 h SER 27 CO 0.00 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 2cr9 n GLY 28 N 1.39 2.87 1.53 -0.77 0.00 -1.01 -4.80 105.19 104.40 2cr9 n GLY 28 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 4.53 0.25 0.99 7.99 -1.26 -4.28 117.00 125.22 2cr9 n LEU 29 Ca 0.00 -2.29 0.08 0.00 -0.01 0.00 0.00 56.01 53.79 2cr9 n LEU 29 Cb 0.00 -0.59 0.61 0.00 -0.11 0.00 0.00 43.42 43.33 2cr9 n LEU 29 CO 0.00 0.66 0.98 1.05 -1.51 0.00 0.00 177.39 178.57 2cr9 h GLU 30 N 3.50 0.00 -0.03 3.23 4.11 -1.76 0.88 114.58 124.51 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 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2cr9 h GLU 30 CO 0.29 0.10 0.00 -2.39 0.07 0.00 0.00 179.01 177.08 2cr9 n HIS 31 N -4.28 0.05 0.04 2.06 1.44 -1.26 -4.72 115.22 108.56 2cr9 n HIS 31 Ca -0.03 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 2cr9 n HIS 31 Cb 0.18 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.22 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 -0.60 0.76 -4.91 4.39 2.88 -0.75 -5.09 113.62 110.30 2cr9 n SER 32 Ca 0.04 0.13 -0.20 0.00 -1.33 0.00 0.00 58.87 57.52 2cr9 n SER 32 Cb 0.35 -0.20 -0.02 0.00 -0.75 0.00 0.00 64.21 63.58 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr9 s ALA 33 N -2.00 4.14 0.11 -1.46 0.00 0.30 -3.85 121.76 119.00 2cr9 s ALA 33 Ca 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.24 2cr9 s ALA 33 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2cr9 s ALA 33 CO 0.00 -0.17 -0.09 -3.38 0.00 0.00 0.00 175.76 172.12 2cr9 s HIS 34 N -2.39 1.02 -0.20 0.00 -3.43 0.14 -4.34 115.29 106.10 2cr9 s HIS 34 Ca 0.48 -0.77 -0.36 0.00 -0.80 0.00 0.00 55.06 53.61 2cr9 s HIS 34 Cb -0.06 -0.56 -0.13 0.00 -1.43 0.00 0.00 32.58 30.40 2cr9 s HIS 34 CO 0.29 -0.04 1.88 0.28 -2.00 0.00 0.00 174.74 175.14 2cr9 n VAL 35 N 0.20 0.43 -1.63 -5.38 0.31 -1.25 0.21 118.33 111.21 2cr9 n VAL 35 Ca -0.13 -0.11 -0.50 0.00 -0.01 0.00 0.00 64.34 63.58 2cr9 n VAL 35 Cb 0.59 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2cr9 n LEU 36 N 6.64 2.94 -4.50 7.52 0.00 0.68 -4.64 117.00 125.64 2cr9 n LEU 36 Ca 0.26 0.82 -0.34 0.00 0.00 0.00 0.00 56.01 56.76 2cr9 n LEU 36 Cb 0.23 -1.31 -0.12 0.00 0.00 0.00 0.00 43.42 42.21 2cr9 n LEU 36 CO 0.77 -0.31 -0.34 -1.61 0.00 0.00 0.00 177.39 175.89 2cr9 s GLU 37 N 4.61 3.69 0.01 1.96 2.02 -1.26 -2.16 118.70 127.57 2cr9 s GLU 37 Ca 0.98 -0.50 -0.00 0.00 0.02 0.00 0.00 54.97 55.47 2cr9 s GLU 37 Cb -0.78 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 2cr9 s GLU 37 CO 0.53 0.22 -0.01 0.21 0.02 0.00 0.00 175.26 176.23 2cr9 s LYS 38 N 0.43 0.11 -1.59 1.61 2.20 0.04 -4.86 119.74 117.68 2cr9 s LYS 38 Ca -0.03 -0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 55.32 2cr9 s LYS 38 Cb -0.14 0.04 0.05 0.00 -1.51 0.00 0.00 37.83 36.27 2cr9 s LYS 38 CO 0.03 -0.02 0.24 0.41 -0.36 0.00 0.00 175.35 175.65 2cr9 n GLY 39 N 2.58 -0.21 3.21 5.54 0.00 -1.26 0.18 105.19 115.22 2cr9 n GLY 39 Ca -0.16 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.12 -0.50 2.91 -0.02 0.00 -1.26 -4.95 105.19 99.25 2cr9 n GLY 40 Ca -0.22 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.86 0.98 0.10 1.61 -0.14 0.47 -5.10 119.74 111.80 2cr9 s LYS 41 Ca 0.35 -0.16 -0.22 0.00 -1.36 0.00 0.00 55.97 54.58 2cr9 s LYS 41 Cb -0.18 -0.95 -0.07 0.00 -1.68 0.00 0.00 37.83 34.96 2cr9 s LYS 41 CO 0.43 -0.07 0.67 0.08 -0.76 0.00 0.00 175.35 175.70 2cr9 s VAL 42 N 0.90 4.61 -0.92 3.17 1.01 -1.26 -0.78 120.40 127.13 2cr9 s VAL 42 Ca -0.11 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 2cr9 s VAL 42 Cb -0.15 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.28 2cr9 s VAL 42 CO 0.00 0.51 2.63 0.49 0.00 0.00 0.00 175.10 178.73 2cr9 n PHE 43 N 1.90 2.06 -3.73 5.22 3.01 -0.92 -4.78 117.46 120.22 2cr9 n PHE 43 Ca -0.07 -2.41 -0.30 0.00 1.01 0.00 0.00 57.45 55.68 2cr9 n PHE 43 Cb 0.50 -1.67 -0.14 0.00 -0.01 0.00 0.00 39.48 38.16 2cr9 n PHE 43 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2cr9 s SER 44 N 0.52 3.91 -0.02 4.37 0.01 -1.26 -2.24 113.70 119.00 2cr9 s SER 44 Ca 0.57 -1.95 0.06 0.00 1.31 0.00 0.00 55.95 55.94 2cr9 s SER 44 Cb 0.27 -0.92 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 2cr9 s SER 44 CO -0.14 -0.37 -0.18 0.00 0.41 0.00 0.00 173.24 172.96 2cr9 s ALA 45 N 1.22 2.51 -0.43 1.44 0.00 -1.00 -5.02 121.76 120.48 2cr9 s ALA 45 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2cr9 s ALA 45 Cb -0.20 -0.79 0.12 0.00 0.00 0.00 0.00 23.12 22.25 2cr9 s ALA 45 CO -0.16 0.55 0.19 0.99 0.00 0.00 0.00 175.76 177.33 2cr9 s THR 46 N -0.76 2.95 0.56 0.00 2.01 -1.26 -1.49 115.64 117.65 2cr9 s THR 46 Ca 0.12 -2.40 -0.07 0.00 0.31 0.00 0.00 61.69 59.65 2cr9 s THR 46 Cb -0.10 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 2cr9 s THR 46 CO 0.01 -0.70 0.90 -0.76 -0.69 0.00 0.00 174.62 173.38 2cr9 s LEU 47 N 0.76 3.40 -0.28 4.42 1.43 -0.58 -0.41 118.68 127.43 2cr9 s LEU 47 Ca 0.11 1.06 -0.22 0.00 -1.03 0.00 0.00 54.13 54.05 2cr9 s LEU 47 Cb -0.22 -4.01 0.08 0.00 0.03 0.00 0.00 46.19 42.07 2cr9 s LEU 47 CO -0.05 -0.79 0.76 -0.83 0.23 0.00 0.00 176.35 175.67 2cr9 s GLY 48 N -4.18 -0.50 0.06 -3.19 0.00 0.66 -2.35 107.32 97.82 2cr9 s GLY 48 Ca 0.51 2.27 0.04 0.00 0.00 0.00 0.00 44.72 47.54 2cr9 s GLY 48 CO 0.48 1.99 -0.12 -2.27 0.00 0.00 0.00 173.10 173.18 2cr9 s LEU 49 N 0.78 2.26 -0.09 0.66 2.96 0.19 -3.49 118.68 121.95 2cr9 s LEU 49 Ca -0.03 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 2cr9 s LEU 49 Cb -0.05 -0.41 0.04 0.00 0.50 0.00 0.00 46.19 46.27 2cr9 s LEU 49 CO -0.07 -0.10 0.20 -0.69 -1.32 0.00 0.00 176.35 174.37 2cr9 s VAL 50 N -1.26 -0.04 -0.06 1.68 1.01 -1.26 0.40 120.40 120.88 2cr9 s VAL 50 Ca -0.04 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 2cr9 s VAL 50 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2cr9 s VAL 50 CO 0.02 0.06 0.36 -1.81 0.00 0.00 0.00 175.10 173.73 2cr9 s ASP 51 N 1.20 6.67 -0.02 3.32 1.01 0.00 -4.95 116.67 123.91 2cr9 s ASP 51 Ca -0.09 0.80 -0.00 0.00 0.71 0.00 0.00 52.55 53.97 2cr9 s ASP 51 Cb -0.11 -2.22 -0.26 0.00 1.01 0.00 0.00 42.92 41.34 2cr9 s ASP 51 CO -0.07 0.25 0.77 -0.29 0.21 0.00 0.00 175.17 176.04 2cr9 h ILE 52 N 4.06 1.04 0.00 0.77 2.10 -1.95 -0.66 117.51 122.87 2cr9 h ILE 52 Ca -0.49 -2.74 -0.01 0.00 1.08 0.00 0.00 64.86 62.70 2cr9 h ILE 52 Cb 1.20 2.66 -0.00 0.00 -1.09 0.00 0.00 36.82 39.59 2cr9 h ILE 52 CO 0.66 0.77 -0.05 -0.37 -1.08 0.00 0.00 178.15 178.08 2cr9 h VAL 53 N 0.05 1.05 0.00 2.19 -1.51 -1.98 -3.31 116.25 112.75 2cr9 h VAL 53 Ca -0.27 -1.80 -0.05 0.00 -1.23 0.00 0.00 66.70 63.35 2cr9 h VAL 53 Cb 2.00 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 33.16 2cr9 h VAL 53 CO 0.13 0.36 -0.22 0.11 -1.23 0.00 0.00 177.57 176.72 2cr9 h LYS 54 N -1.00 0.00 -3.56 5.19 1.57 -1.99 -3.46 116.57 113.33 2cr9 h LYS 54 Ca -0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.37 2cr9 h LYS 54 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.94 2cr9 h LYS 54 CO -0.01 0.22 -0.56 0.41 -0.57 0.00 0.00 179.45 178.95 2cr9 n GLY 55 N 0.09 -0.48 3.94 3.86 0.00 -0.27 -4.98 105.19 107.34 2cr9 n GLY 55 Ca -0.00 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.09 5.13 -0.26 2.61 -4.23 -1.15 -4.88 115.64 109.77 2cr9 s THR 56 Ca 0.13 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2cr9 s THR 56 Cb -0.06 -3.74 0.07 0.00 1.34 0.00 0.00 72.50 70.11 2cr9 s THR 56 CO 0.16 -0.26 -0.01 0.20 -0.54 0.00 0.00 174.62 174.17 2cr9 s ASN 57 N -3.73 4.03 0.10 3.99 -0.87 -1.26 -0.81 114.94 116.38 2cr9 s ASN 57 Ca 0.34 -1.42 0.05 0.00 -1.57 0.00 0.00 52.86 50.26 2cr9 s ASN 57 Cb -0.09 -1.20 -0.04 0.00 -0.02 0.00 0.00 41.25 39.90 2cr9 s ASN 57 CO 0.28 -0.29 0.00 -0.44 -2.57 0.00 0.00 177.10 174.08 2cr9 s SER 58 N 1.35 5.00 -0.10 -1.22 0.01 0.16 0.97 113.70 119.88 2cr9 s SER 58 Ca -0.00 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.00 2cr9 s SER 58 Cb -0.19 -1.18 0.05 0.00 0.21 0.00 0.00 66.02 64.91 2cr9 s SER 58 CO -0.10 0.16 0.24 -0.72 0.41 0.00 0.00 173.24 173.23 2cr9 s TYR 59 N -1.37 -0.33 -0.30 2.43 -0.85 -1.22 0.54 117.35 116.26 2cr9 s TYR 59 Ca 0.26 0.79 0.03 0.00 -0.52 0.00 0.00 57.07 57.63 2cr9 s TYR 59 Cb -0.11 0.02 0.08 0.00 0.38 0.00 0.00 41.96 42.32 2cr9 s TYR 59 CO 0.18 -0.25 -0.03 -0.47 -1.52 0.00 0.00 175.55 173.47 2cr9 s TYR 60 N 1.45 3.47 -0.03 -3.49 6.14 -0.99 -3.71 117.35 120.19 2cr9 s TYR 60 Ca -0.07 -2.57 -0.14 0.00 0.64 0.00 0.00 57.07 54.93 2cr9 s TYR 60 Cb -0.11 -2.37 -0.05 0.00 0.42 0.00 0.00 41.96 39.85 2cr9 s TYR 60 CO -0.08 -0.91 0.38 0.21 0.64 0.00 0.00 175.55 175.79 2cr9 s LYS 61 N 1.03 3.93 -0.02 4.97 2.36 -0.88 -1.52 119.74 129.62 2cr9 s LYS 61 Ca -0.01 0.34 0.05 0.00 -2.55 0.00 0.00 55.97 53.81 2cr9 s LYS 61 Cb -0.20 -3.25 -0.01 0.00 -1.05 0.00 0.00 37.83 33.32 2cr9 s LYS 61 CO -0.06 0.62 -0.18 -1.17 1.55 0.00 0.00 175.35 176.11 2cr9 s LEU 62 N -0.81 2.02 -0.23 5.43 2.96 -0.56 -2.00 118.68 125.50 2cr9 s LEU 62 Ca 0.22 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 2cr9 s LEU 62 Cb -0.16 -0.95 0.09 0.00 0.50 0.00 0.00 46.19 45.67 2cr9 s LEU 62 CO 0.11 0.22 0.51 -1.10 -1.32 0.00 0.00 176.35 174.77 2cr9 s GLN 63 N -0.37 0.45 -0.45 1.98 -0.21 -1.21 -2.39 119.66 117.46 2cr9 s GLN 63 Ca 0.06 1.12 -0.11 0.00 0.02 0.00 0.00 55.36 56.44 2cr9 s GLN 63 Cb -0.08 0.37 0.09 0.00 1.00 0.00 0.00 33.01 34.39 2cr9 s GLN 63 CO -0.00 -0.21 0.33 -1.17 -2.12 0.00 0.00 175.29 172.12 2cr9 s LEU 64 N 2.30 5.45 0.35 2.90 2.96 -0.95 -2.71 118.68 128.98 2cr9 s LEU 64 Ca -0.05 -1.56 -0.25 0.00 -0.22 0.00 0.00 54.13 52.04 2cr9 s LEU 64 Cb -0.10 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.43 2cr9 s LEU 64 CO -0.15 -0.62 0.97 -0.76 -1.32 0.00 0.00 176.35 174.47 2cr9 s LEU 65 N 1.48 4.26 -0.05 -0.68 1.43 -1.18 0.25 118.68 124.19 2cr9 s LEU 65 Ca 0.04 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 55.05 2cr9 s LEU 65 Cb -0.24 -4.10 -0.00 0.00 0.03 0.00 0.00 46.19 41.88 2cr9 s LEU 65 CO 0.03 -0.18 -0.19 -0.70 0.23 0.00 0.00 176.35 175.54 2cr9 s GLU 66 N -2.24 2.04 0.43 1.70 2.12 0.55 -3.53 118.70 119.77 2cr9 s GLU 66 Ca 0.53 -0.68 -0.26 0.00 0.36 0.00 0.00 54.97 54.91 2cr9 s GLU 66 Cb -0.18 -1.74 -0.09 0.00 0.26 0.00 0.00 34.13 32.38 2cr9 s GLU 66 CO 0.24 0.26 1.44 -3.47 -0.54 0.00 0.00 175.26 173.18 2cr9 n ASP 67 N 3.17 3.39 0.26 -1.70 -0.08 -1.08 -0.69 116.55 119.81 2cr9 n ASP 67 Ca -0.18 1.15 0.17 0.00 -1.51 0.00 0.00 54.79 54.42 2cr9 n ASP 67 Cb 0.53 -1.60 0.84 0.00 2.34 0.00 0.00 41.12 43.22 2cr9 n ASP 67 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2cr9 h ASP 68 N 2.45 0.00 -0.13 1.67 1.82 -1.88 0.31 116.42 120.66 2cr9 h ASP 68 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2cr9 h ASP 68 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2cr9 h ASP 68 CO 0.62 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 178.54 2cr9 n LYS 69 N -2.79 2.72 -3.00 0.28 5.02 -1.26 -5.05 118.16 114.08 2cr9 n LYS 69 Ca -0.01 -1.93 -0.01 0.00 -2.02 0.00 0.00 58.31 54.35 2cr9 n LYS 69 Cb 0.15 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.33 -1.67 0.00 1.97 1.02 0.10 -4.90 120.64 116.83 2cr9 n GLU 70 Ca 0.07 1.60 0.00 0.00 -0.02 0.00 0.00 57.16 58.81 2cr9 n GLU 70 Cb 0.41 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 2cr9 n GLU 70 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2cr9 n ASN 71 N 1.58 0.00 -4.22 1.62 5.15 -1.26 -5.00 115.26 113.13 2cr9 n ASN 71 Ca -0.05 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.59 2cr9 n ASN 71 Cb 0.29 0.12 -0.15 0.00 -0.53 0.00 0.00 39.78 39.51 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2cr9 s ARG 72 N -1.74 3.19 0.33 1.20 3.52 -1.26 -4.67 118.95 119.51 2cr9 s ARG 72 Ca 0.00 -0.73 0.08 0.00 -0.13 0.00 0.00 55.73 54.95 2cr9 s ARG 72 Cb 0.00 -2.77 -0.06 0.00 -1.56 0.00 0.00 34.95 30.56 2cr9 s ARG 72 CO 0.00 -0.17 -0.07 0.71 -0.81 0.00 0.00 175.30 174.95 2cr9 s TYR 73 N 1.30 2.26 0.06 5.12 1.51 -1.26 -2.63 117.35 123.71 2cr9 s TYR 73 Ca 0.04 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 2cr9 s TYR 73 Cb -0.14 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2cr9 s TYR 73 CO -0.07 0.47 -0.07 -1.58 -1.11 0.00 0.00 175.55 173.19 2cr9 s TRP 74 N -2.76 0.70 -0.33 2.71 0.51 -1.23 -0.62 118.94 117.93 2cr9 s TRP 74 Ca 0.32 -0.68 0.03 0.00 -2.12 0.00 0.00 56.10 53.64 2cr9 s TRP 74 Cb 0.03 -0.42 0.09 0.00 -0.81 0.00 0.00 33.47 32.36 2cr9 s TRP 74 CO 0.15 -0.13 0.04 0.42 -0.51 0.00 0.00 176.95 176.91 2cr9 s ILE 75 N -2.33 2.40 0.05 2.03 -1.09 -0.20 -3.07 121.20 118.99 2cr9 s ILE 75 Ca -0.02 -2.16 -0.19 0.00 -2.23 0.00 0.00 60.65 56.06 2cr9 s ILE 75 Cb -0.04 -2.68 -0.06 0.00 -1.58 0.00 0.00 42.46 38.10 2cr9 s ILE 75 CO -0.02 -0.49 0.54 0.12 -1.23 0.00 0.00 174.94 173.86 2cr9 s PHE 76 N 0.98 3.78 -0.17 3.97 5.36 -1.10 -3.35 117.98 127.45 2cr9 s PHE 76 Ca 0.07 1.22 -0.04 0.00 -0.96 0.00 0.00 56.93 57.21 2cr9 s PHE 76 Cb -0.20 -2.47 0.09 0.00 -0.34 0.00 0.00 43.02 40.09 2cr9 s PHE 76 CO -0.07 0.57 0.26 1.03 -1.46 0.00 0.00 175.22 175.55 2cr9 s ARG 77 N -0.99 0.19 -0.11 10.12 0.52 -0.94 -3.33 118.95 124.40 2cr9 s ARG 77 Ca 0.28 0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.95 2cr9 s ARG 77 Cb -0.19 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 2cr9 s ARG 77 CO 0.18 -0.48 0.04 -1.54 0.02 0.00 0.00 175.30 173.51 2cr9 s SER 78 N 2.40 5.51 0.00 0.23 1.04 -0.85 -1.71 113.70 120.33 2cr9 s SER 78 Ca 0.05 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 2cr9 s SER 78 Cb -0.14 -1.70 0.02 0.00 0.10 0.00 0.00 66.02 64.31 2cr9 s SER 78 CO -0.11 0.34 0.33 -1.66 0.98 0.00 0.00 173.24 173.12 2cr9 s TRP 79 N -0.63 -0.18 0.00 5.02 -2.14 -0.69 -2.07 118.94 118.25 2cr9 s TRP 79 Ca 0.11 0.22 0.00 0.00 2.66 0.00 0.00 56.10 59.09 2cr9 s TRP 79 Cb -0.12 0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.37 2cr9 s TRP 79 CO 0.02 -0.44 0.00 0.41 -2.66 0.00 0.00 176.95 174.29 2cr9 n GLY 80 N 1.05 4.50 3.50 3.67 0.00 -1.24 -1.23 105.19 115.42 2cr9 n GLY 80 Ca -0.21 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 2cr9 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 n ARG 81 N -1.93 0.49 0.29 1.61 3.00 -1.21 -3.36 116.66 115.54 2cr9 n ARG 81 Ca 0.00 0.20 -0.11 0.00 -0.01 0.00 0.00 57.85 57.93 2cr9 n ARG 81 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 32.46 30.56 2cr9 n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2cr9 h VAL 82 N 0.01 0.00 -2.28 1.55 2.07 0.30 -3.38 116.25 114.53 2cr9 h VAL 82 Ca -0.46 -0.06 -0.60 0.00 0.82 0.00 0.00 66.70 66.40 2cr9 h VAL 82 Cb 1.37 0.00 -0.41 0.00 -1.52 0.00 0.00 31.29 30.73 2cr9 h VAL 82 CO 0.46 0.00 -0.68 0.61 0.02 0.00 0.00 177.57 177.97 2cr9 n GLY 83 N -1.07 4.32 0.00 2.17 0.00 -1.26 -5.05 105.19 104.30 2cr9 n GLY 83 Ca -0.09 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 1.13 0.00 0.07 2.61 -1.04 -1.26 -5.04 114.28 110.76 2cr9 n THR 84 Ca 0.27 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.22 2cr9 n THR 84 Cb 0.42 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.87 2cr9 n THR 84 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2cr9 h VAL 85 N 0.73 1.66 -3.88 12.58 -1.51 -1.96 -3.45 116.25 120.42 2cr9 h VAL 85 Ca 0.00 -3.20 -0.52 0.00 -1.23 0.00 0.00 66.70 61.75 2cr9 h VAL 85 Cb 0.00 2.73 0.07 0.00 -2.13 0.00 0.00 31.29 31.95 2cr9 h VAL 85 CO 0.00 0.91 0.64 -0.63 -1.23 0.00 0.00 177.57 177.26 2cr9 s ILE 86 N -2.87 2.71 0.00 7.19 1.01 -1.26 -4.97 121.20 123.01 2cr9 s ILE 86 Ca 0.01 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2cr9 s ILE 86 Cb 0.10 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.12 2cr9 s ILE 86 CO 0.81 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.53 2cr9 n GLY 87 N 0.79 0.85 3.47 6.18 0.00 -1.26 -3.33 105.19 111.88 2cr9 n GLY 87 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.11 0.32 1.61 0.01 -0.37 -5.01 113.70 110.16 2cr9 s SER 88 Ca 0.00 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 56.59 2cr9 s SER 88 Cb 0.00 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 2cr9 s SER 88 CO 0.00 -1.01 0.25 0.54 0.41 0.00 0.00 173.24 173.43 2cr9 s ASN 89 N -2.94 1.62 -0.14 2.44 2.20 -1.26 -1.71 114.94 115.15 2cr9 s ASN 89 Ca 0.15 -1.72 -0.12 0.00 -0.94 0.00 0.00 52.86 50.23 2cr9 s ASN 89 Cb 0.01 0.54 0.04 0.00 -2.00 0.00 0.00 41.25 39.83 2cr9 s ASN 89 CO 0.01 -1.03 0.36 -0.75 -2.94 0.00 0.00 177.10 172.74 2cr9 s LYS 90 N -3.53 0.40 -0.14 3.55 2.20 -0.69 -4.99 119.74 116.54 2cr9 s LYS 90 Ca 0.39 0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 2cr9 s LYS 90 Cb 0.03 0.16 0.05 0.00 -1.51 0.00 0.00 37.83 36.56 2cr9 s LYS 90 CO 0.25 -0.07 0.03 -1.17 -0.36 0.00 0.00 175.35 174.03 2cr9 s LEU 91 N 0.39 0.82 0.05 5.43 2.96 -1.26 -2.22 118.68 124.84 2cr9 s LEU 91 Ca -0.02 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2cr9 s LEU 91 Cb -0.04 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 2cr9 s LEU 91 CO -0.02 -0.27 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.93 2cr9 s GLU 92 N 1.94 1.40 -0.30 1.98 2.02 -1.21 -4.97 118.70 119.56 2cr9 s GLU 92 Ca 0.02 -0.98 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 2cr9 s GLU 92 Cb -0.15 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 2cr9 s GLU 92 CO -0.07 0.39 0.50 -1.14 0.02 0.00 0.00 175.26 174.96 2cr9 s GLN 93 N -1.26 3.88 0.48 1.61 0.74 -1.26 -1.03 119.66 122.82 2cr9 s GLN 93 Ca 0.08 0.09 -0.19 0.00 0.05 0.00 0.00 55.36 55.39 2cr9 s GLN 93 Cb -0.09 -3.72 -0.09 0.00 1.10 0.00 0.00 33.01 30.21 2cr9 s GLN 93 CO 0.02 -0.46 0.98 -1.64 -0.55 0.00 0.00 175.29 173.64 2cr9 s MET 94 N 2.32 4.03 -0.07 1.67 -1.94 0.21 -4.99 119.30 120.54 2cr9 s MET 94 Ca 0.19 1.07 -0.18 0.00 -1.71 0.00 0.00 55.69 55.07 2cr9 s MET 94 Cb -0.16 -2.15 -0.13 0.00 2.01 0.00 0.00 34.83 34.40 2cr9 s MET 94 CO 0.11 -0.20 0.67 -1.00 -0.01 0.00 0.00 175.02 174.59 2cr9 h PRO 95 N 1.38 -0.18 -5.97 2.03 0.13 -1.93 -3.36 132.00 124.09 2cr9 h PRO 95 Ca -0.48 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.07 2cr9 h PRO 95 Cb 1.19 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2cr9 h PRO 95 CO 0.61 0.22 -0.63 0.45 -0.23 0.00 0.00 178.00 178.42 2cr9 s SER 96 N -5.52 4.04 0.29 1.44 0.15 -1.26 -4.87 113.70 107.96 2cr9 s SER 96 Ca -0.11 -1.07 -0.01 0.00 0.70 0.00 0.00 55.95 55.46 2cr9 s SER 96 Cb -0.00 -0.47 0.43 0.00 -1.71 0.00 0.00 66.02 64.27 2cr9 s SER 96 CO 0.39 -0.24 1.85 0.50 1.20 0.00 0.00 173.24 176.94 2cr9 h LYS 97 N 1.86 0.83 0.42 5.44 3.64 -1.91 -2.56 116.57 124.29 2cr9 h LYS 97 Ca -0.43 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 58.78 2cr9 h LYS 97 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2cr9 h LYS 97 CO 0.69 0.72 -0.20 0.93 -2.27 0.00 0.00 179.45 179.31 2cr9 h GLU 98 N 0.81 -0.55 -1.39 1.90 5.08 -1.97 -0.37 114.58 118.10 2cr9 h GLU 98 Ca 0.19 0.04 0.42 0.00 -1.00 0.00 0.00 59.36 59.01 2cr9 h GLU 98 Cb 0.23 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 2cr9 h GLU 98 CO -0.01 -0.24 0.94 -0.44 -1.00 0.00 0.00 179.01 178.26 2cr9 h ASP 99 N -0.94 0.19 0.07 1.42 3.32 -1.94 2.45 116.42 120.99 2cr9 h ASP 99 Ca -0.06 0.08 -0.21 0.00 0.02 0.00 0.00 57.03 56.86 2cr9 h ASP 99 Cb 0.56 0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.20 2cr9 h ASP 99 CO 0.10 -0.08 -0.87 0.00 -1.72 0.00 0.00 179.24 176.66 2cr9 h ALA 100 N 1.46 0.01 0.06 3.45 0.00 -1.24 -2.05 119.26 120.95 2cr9 h ALA 100 Ca 0.77 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cr9 h ALA 100 Cb 2.61 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.48 2cr9 h ALA 100 CO -0.26 0.47 -0.03 0.82 0.00 0.00 0.00 179.25 180.25 2cr9 h ILE 101 N -0.03 1.18 -0.36 0.00 2.04 0.40 -0.40 117.51 120.33 2cr9 h ILE 101 Ca -0.13 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 64.98 2cr9 h ILE 101 Cb 1.60 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 39.33 2cr9 h ILE 101 CO 0.17 0.20 0.00 -0.33 0.00 0.00 0.00 178.15 178.19 2cr9 h GLU 102 N -0.45 0.10 0.35 2.37 5.08 0.33 -0.53 114.58 121.83 2cr9 h GLU 102 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2cr9 h GLU 102 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2cr9 h GLU 102 CO 0.01 0.07 -0.26 1.25 -1.00 0.00 0.00 179.01 179.07 2cr9 h HIS 103 N 0.10 -0.70 -0.61 4.33 2.76 -1.33 -2.02 115.15 117.68 2cr9 h HIS 103 Ca 0.18 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.46 2cr9 h HIS 103 Cb 0.25 0.26 -0.12 0.00 1.55 0.00 0.00 27.41 29.35 2cr9 h HIS 103 CO -0.25 -0.40 -0.31 0.35 -1.30 0.00 0.00 177.93 176.02 2cr9 h PHE 104 N -0.61 -0.85 -0.79 5.26 3.04 -0.53 0.79 116.94 123.24 2cr9 h PHE 104 Ca -0.03 0.07 0.15 0.00 3.98 0.00 0.00 57.97 62.15 2cr9 h PHE 104 Cb 0.53 0.46 -0.05 0.00 2.56 0.00 0.00 35.95 39.45 2cr9 h PHE 104 CO -0.13 -0.37 0.52 0.52 -2.02 0.00 0.00 178.31 176.83 2cr9 h MET 105 N -0.14 0.45 -0.02 1.11 2.86 -0.84 0.69 114.93 119.04 2cr9 h MET 105 Ca 0.25 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2cr9 h MET 105 Cb 0.55 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2cr9 h MET 105 CO -0.69 0.30 -0.44 -0.22 1.06 0.00 0.00 176.91 176.92 2cr9 h LYS 106 N 0.46 0.34 0.09 1.72 3.64 0.83 -2.43 116.57 121.22 2cr9 h LYS 106 Ca 0.39 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2cr9 h LYS 106 Cb 0.85 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 2cr9 h LYS 106 CO -0.14 1.01 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.58 2cr9 h LEU 107 N -0.20 -1.17 0.00 5.20 3.38 0.18 1.29 115.31 123.98 2cr9 h LEU 107 Ca -0.05 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2cr9 h LEU 107 Cb 1.14 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2cr9 h LEU 107 CO 0.09 -0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.15 2cr9 n TYR 108 N -5.45 0.00 0.14 1.13 4.19 0.09 -1.09 117.16 116.16 2cr9 n TYR 108 Ca -0.07 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.24 2cr9 n TYR 108 Cb 0.37 -0.34 -0.14 0.00 0.49 0.00 0.00 39.34 39.71 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2cr9 n GLU 109 N -1.34 0.62 0.04 2.98 2.13 0.13 -3.54 120.64 121.66 2cr9 n GLU 109 Ca 0.04 -0.15 -0.10 0.00 0.66 0.00 0.00 57.16 57.61 2cr9 n GLU 109 Cb 0.09 -1.45 -0.13 0.00 0.27 0.00 0.00 31.44 30.22 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 0.07 0.00 5.31 4.11 0.30 -1.41 114.58 122.96 2cr9 h GLU 110 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2cr9 h GLU 110 Cb 0.81 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2cr9 h GLU 110 CO 0.00 0.92 -0.01 0.87 0.07 0.00 0.00 179.01 180.86 2cr9 h LYS 111 N 0.02 0.00 -0.07 1.06 1.79 -1.65 -3.37 116.57 114.35 2cr9 h LYS 111 Ca -0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2cr9 h LYS 111 Cb 1.89 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.54 2cr9 h LYS 111 CO 0.13 0.00 -0.02 1.79 -1.08 0.00 0.00 179.45 180.27 2cr9 h THR 112 N -0.05 1.06 0.00 -0.16 1.35 -1.60 -2.77 112.91 110.73 2cr9 h THR 112 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2cr9 h THR 112 Cb 0.01 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2cr9 h THR 112 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2cr9 n GLY 113 N -1.34 2.73 3.95 5.82 0.00 -0.53 -4.43 105.19 111.40 2cr9 n GLY 113 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.71 6.32 0.62 1.61 -0.87 -1.24 -4.86 114.94 114.81 2cr9 s ASN 114 Ca 0.00 0.12 -0.15 0.00 -1.57 0.00 0.00 52.86 51.26 2cr9 s ASN 114 Cb 0.00 -1.88 -0.02 0.00 -0.02 0.00 0.00 41.25 39.33 2cr9 s ASN 114 CO 0.00 0.00 1.07 0.00 -2.57 0.00 0.00 177.10 175.60 2cr9 s ALA 115 N -1.84 2.65 0.10 0.60 0.00 -1.26 -3.92 121.76 118.09 2cr9 s ALA 115 Ca 0.34 0.40 -0.34 0.00 0.00 0.00 0.00 51.96 52.37 2cr9 s ALA 115 Cb -0.10 -3.25 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 2cr9 s ALA 115 CO 0.29 -0.99 1.57 2.35 0.00 0.00 0.00 175.76 178.98 2cr9 h TRP 116 N 0.19 -1.32 -3.46 0.00 2.91 -1.87 -3.28 115.95 109.11 2cr9 h TRP 116 Ca -0.46 0.02 -0.70 0.00 1.13 0.00 0.00 58.89 58.88 2cr9 h TRP 116 Cb 1.23 0.54 -0.36 0.00 -0.51 0.00 0.00 29.16 30.06 2cr9 h TRP 116 CO 0.58 -0.59 -0.29 -1.01 -1.03 0.00 0.00 178.44 176.10 2cr9 s HIS 117 N -5.87 3.56 -0.48 2.65 3.76 -1.26 -4.90 115.29 112.74 2cr9 s HIS 117 Ca -0.17 -2.84 0.08 0.00 -0.15 0.00 0.00 55.06 51.97 2cr9 s HIS 117 Cb 0.06 -3.19 0.37 0.00 1.11 0.00 0.00 32.58 30.92 2cr9 s HIS 117 CO 0.62 -0.79 0.92 0.45 -0.85 0.00 0.00 174.74 175.09 2cr9 n SER 118 N 3.04 3.37 0.00 1.40 2.88 -1.24 -5.03 113.62 118.03 2cr9 n SER 118 Ca 0.13 -3.44 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 2cr9 n SER 118 Cb 0.37 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2cr9 n SER 118 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cr9 n LYS 119 N -0.14 0.00 -1.49 -1.46 4.01 -1.26 -4.61 118.16 113.21 2cr9 n LYS 119 Ca 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 2cr9 n LYS 119 Cb 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.06 2cr9 n LYS 119 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2cr9 n ASN 120 N 4.55 1.59 -4.55 4.39 5.15 -1.26 -5.15 115.26 119.98 2cr9 n ASN 120 Ca 0.00 -0.83 -0.30 0.00 -0.60 0.00 0.00 54.58 52.85 2cr9 n ASN 120 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2cr9 s PHE 121 N -0.29 2.68 -0.28 1.20 5.36 -1.26 -4.98 117.98 120.41 2cr9 s PHE 121 Ca 0.00 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 2cr9 s PHE 121 Cb 0.00 -1.42 0.08 0.00 -0.34 0.00 0.00 43.02 41.34 2cr9 s PHE 121 CO 0.00 0.40 -0.01 0.99 -1.46 0.00 0.00 175.22 175.14 2cr9 s THR 122 N -1.17 1.73 -0.03 0.12 2.01 -1.26 -5.09 115.64 111.95 2cr9 s THR 122 Ca 0.20 -1.63 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 2cr9 s THR 122 Cb -0.11 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 2cr9 s THR 122 CO 0.12 -0.32 1.57 -0.75 -0.69 0.00 0.00 174.62 174.55 2cr9 s LYS 123 N 1.25 4.21 0.34 4.92 2.20 -1.26 -4.92 119.74 126.48 2cr9 s LYS 123 Ca 0.01 2.12 0.07 0.00 -0.36 0.00 0.00 55.97 57.81 2cr9 s LYS 123 Cb -0.19 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.24 2cr9 s LYS 123 CO -0.09 -0.77 -0.03 0.71 -0.36 0.00 0.00 175.35 174.81 2cr9 s TYR 124 N 3.47 2.23 -0.09 4.03 2.02 -1.26 -5.09 117.35 122.65 2cr9 s TYR 124 Ca 0.70 -0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 2cr9 s TYR 124 Cb -0.33 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2cr9 s TYR 124 CO 0.28 0.36 1.25 -1.25 -1.57 0.00 0.00 175.55 174.61 2cr9 s PRO 125 N -3.72 4.30 0.00 -1.71 0.04 -1.26 -3.24 135.00 129.41 2cr9 s PRO 125 Ca 0.33 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2cr9 s PRO 125 Cb 0.06 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2cr9 s PRO 125 CO 0.15 -0.57 0.00 1.63 0.04 0.00 0.00 177.00 178.26 2cr9 n LYS 126 N 5.80 0.00 -1.56 4.56 5.02 -1.26 -4.97 118.16 125.74 2cr9 n LYS 126 Ca 0.12 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.95 2cr9 n LYS 126 Cb 0.45 0.00 -0.02 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 1.13 -2.91 1.97 4.76 -1.20 -4.90 118.16 117.00 2cr9 n LYS 127 Ca 0.00 0.40 -0.40 0.00 -2.87 0.00 0.00 58.31 55.43 2cr9 n LYS 127 Cb 0.00 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.40 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 -0.88 3.75 0.32 2.13 0.08 -1.05 -4.70 117.98 117.63 2cr9 s PHE 128 Ca 0.62 1.56 0.09 0.00 0.12 0.00 0.00 56.93 59.32 2cr9 s PHE 128 Cb -0.76 -2.89 -0.05 0.00 -0.57 0.00 0.00 43.02 38.75 2cr9 s PHE 128 CO 0.58 0.24 0.03 1.52 -0.10 0.00 0.00 175.22 177.49 2cr9 s TYR 129 N 0.03 2.61 -0.12 0.36 -0.85 -1.23 -3.46 117.35 114.68 2cr9 s TYR 129 Ca 0.41 -0.36 -0.29 0.00 -0.52 0.00 0.00 57.07 56.30 2cr9 s TYR 129 Cb -0.21 -1.42 -0.02 0.00 0.38 0.00 0.00 41.96 40.68 2cr9 s TYR 129 CO 0.25 0.49 1.26 -1.25 -1.52 0.00 0.00 175.55 174.78 2cr9 s PRO 130 N -3.72 4.27 0.00 -3.49 0.04 -1.26 -0.24 135.00 130.59 2cr9 s PRO 130 Ca 0.34 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2cr9 s PRO 130 Cb -0.02 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2cr9 s PRO 130 CO 0.20 -0.62 0.00 1.28 0.04 0.00 0.00 177.00 177.90 2cr9 n LEU 131 N 6.10 0.00 -4.56 -3.56 4.77 0.45 -4.76 117.00 115.44 2cr9 n LEU 131 Ca 0.13 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.59 2cr9 n LEU 131 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2cr9 n LEU 131 CO 0.56 0.00 0.72 1.21 -1.33 0.00 0.00 177.39 178.55 2cr9 n GLU 132 N 0.00 0.91 -4.50 3.23 2.13 -1.26 -4.95 120.64 116.20 2cr9 n GLU 132 Ca 0.00 0.33 -0.33 0.00 0.66 0.00 0.00 57.16 57.81 2cr9 n GLU 132 Cb 0.00 -1.85 -0.15 0.00 0.27 0.00 0.00 31.44 29.71 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 0.04 2.87 -0.19 6.31 -1.09 -1.26 -4.96 121.20 122.92 2cr9 s ILE 133 Ca 0.80 -0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 2cr9 s ILE 133 Cb -0.96 -2.23 0.12 0.00 -1.58 0.00 0.00 42.46 37.82 2cr9 s ILE 133 CO 0.51 0.51 1.00 -0.55 -1.23 0.00 0.00 174.94 175.18 2cr9 s SER 134 N 0.78 -0.40 0.18 3.58 0.15 -1.26 -5.18 113.70 111.55 2cr9 s SER 134 Ca -0.05 0.55 0.06 0.00 0.70 0.00 0.00 55.95 57.21 2cr9 s SER 134 Cb -0.15 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2cr9 s SER 134 CO 0.01 -0.29 0.13 -0.83 1.20 0.00 0.00 173.24 173.45 2cr9 s GLY 135 N -0.70 1.66 -0.51 9.45 0.00 -1.26 -5.06 107.32 110.90 2cr9 s GLY 135 Ca -0.01 -1.28 -0.28 0.00 0.00 0.00 0.00 44.72 43.15 2cr9 s GLY 135 CO -0.01 -1.30 1.47 2.56 0.00 0.00 0.00 173.10 175.82 2cr9 s PRO 136 N -3.24 3.33 0.00 2.90 0.04 -1.26 -4.80 135.00 131.97 2cr9 s PRO 136 Ca 0.31 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2cr9 s PRO 136 Cb -0.09 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2cr9 s PRO 136 CO 0.23 -1.89 0.00 -1.13 0.04 0.00 0.00 177.00 174.25 2cr9 n SER 137 N 9.64 0.00 -3.62 6.66 3.41 -1.26 -5.17 113.62 123.27 2cr9 n SER 137 Ca 0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.74 2cr9 n SER 137 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 2cr9 n SER 137 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cr9 s SER 138 N 0.00 -0.03 0.00 4.04 1.04 -1.26 -5.27 113.70 112.22 2cr9 s SER 138 Ca 0.00 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2cr9 s SER 138 Cb 0.00 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.20 2cr9 s SER 138 CO 0.00 -0.06 0.65 0.61 0.98 0.00 0.00 173.24 175.42