#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 n SER 2 N 0.00 -7.68 0.00 1.61 2.88 -1.26 -5.07 113.62 104.10 2cr9 n SER 2 Ca 0.00 1.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 2cr9 n SER 2 Cb 0.00 -4.96 0.00 0.00 -0.75 0.00 0.00 64.21 58.50 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr9 n SER 3 N -4.35 0.00 -1.53 -3.46 2.88 -1.26 -5.19 113.62 100.71 2cr9 n SER 3 Ca -0.09 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.43 2cr9 n SER 3 Cb 0.67 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.14 2cr9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr9 n GLY 4 N -0.07 1.36 3.59 0.46 0.00 -1.26 -5.19 105.19 104.08 2cr9 n GLY 4 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2cr9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr9 s SER 5 N -1.58 -0.15 -0.06 1.61 1.04 -1.26 -5.18 113.70 108.11 2cr9 s SER 5 Ca 0.05 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 2cr9 s SER 5 Cb -0.01 0.15 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2cr9 s SER 5 CO 0.02 -0.24 0.75 -0.94 0.98 0.00 0.00 173.24 173.81 2cr9 s SER 6 N -2.05 -0.58 0.35 7.02 1.04 -1.26 -5.19 113.70 113.04 2cr9 s SER 6 Ca 0.09 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.14 2cr9 s SER 6 Cb -0.01 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2cr9 s SER 6 CO -0.05 -0.57 0.15 -0.83 0.98 0.00 0.00 173.24 172.92 2cr9 s GLY 7 N -1.30 2.28 -0.07 7.32 0.00 -1.26 -5.15 107.32 109.14 2cr9 s GLY 7 Ca -0.08 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.00 2cr9 s GLY 7 CO 0.06 -1.69 0.05 0.54 0.00 0.00 0.00 173.10 172.06 2cr9 s LYS 8 N -3.76 0.16 -0.36 2.90 1.02 -1.26 -5.11 119.74 113.32 2cr9 s LYS 8 Ca 0.32 0.22 -0.09 0.00 0.02 0.00 0.00 55.97 56.44 2cr9 s LYS 8 Cb 0.04 -0.86 0.04 0.00 -0.52 0.00 0.00 37.83 36.53 2cr9 s LYS 8 CO 0.17 -0.38 0.17 0.45 -0.92 0.00 0.00 175.35 174.84 2cr9 s SER 9 N 2.10 5.55 0.45 2.83 0.15 -1.26 -5.08 113.70 118.44 2cr9 s SER 9 Ca 0.04 -1.10 -0.20 0.00 0.70 0.00 0.00 55.95 55.39 2cr9 s SER 9 Cb -0.13 -1.95 -0.10 0.00 -1.71 0.00 0.00 66.02 62.13 2cr9 s SER 9 CO -0.05 -0.37 0.97 -1.83 1.20 0.00 0.00 173.24 173.17 2cr9 s GLU 10 N 1.48 4.09 -0.25 5.44 -1.05 -1.26 -5.05 118.70 122.11 2cr9 s GLU 10 Ca 0.00 1.15 0.03 0.00 -0.15 0.00 0.00 54.97 56.00 2cr9 s GLU 10 Cb -0.20 -2.15 0.05 0.00 -0.44 0.00 0.00 34.13 31.39 2cr9 s GLU 10 CO 0.05 -0.15 -0.12 0.21 0.95 0.00 0.00 175.26 176.19 2cr9 s LYS 11 N -3.30 2.31 -0.07 -4.83 2.20 -1.26 -5.08 119.74 109.71 2cr9 s LYS 11 Ca 0.63 -1.27 -0.29 0.00 -0.36 0.00 0.00 55.97 54.67 2cr9 s LYS 11 Cb -0.11 -2.84 -0.07 0.00 -1.51 0.00 0.00 37.83 33.31 2cr9 s LYS 11 CO 0.17 -0.53 1.96 0.50 -0.36 0.00 0.00 175.35 177.09 2cr9 s ARG 12 N 1.13 3.84 0.07 4.03 3.00 -1.26 -4.96 118.95 124.81 2cr9 s ARG 12 Ca -0.07 2.30 -0.12 0.00 -1.00 0.00 0.00 55.73 56.84 2cr9 s ARG 12 Cb -0.19 -4.18 -0.06 0.00 0.00 0.00 0.00 34.95 30.52 2cr9 s ARG 12 CO -0.06 -1.28 0.43 1.41 0.00 0.00 0.00 175.30 175.80 2cr9 s MET 13 N 4.93 3.84 1.09 5.12 -2.45 -1.26 -5.06 119.30 125.51 2cr9 s MET 13 Ca 0.88 0.30 -0.21 0.00 -1.25 0.00 0.00 55.69 55.41 2cr9 s MET 13 Cb -0.37 -3.04 0.02 0.00 1.25 0.00 0.00 34.83 32.68 2cr9 s MET 13 CO 0.37 0.58 -0.44 1.17 1.05 0.00 0.00 175.02 177.75 2cr9 n LYS 14 N 1.13 -1.14 -2.40 4.11 3.00 -1.26 -4.95 118.16 116.65 2cr9 n LYS 14 Ca -0.09 -0.32 -0.28 0.00 -0.00 0.00 0.00 58.31 57.62 2cr9 n LYS 14 Cb 0.52 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 34.06 2cr9 n LYS 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2cr9 s LEU 15 N 1.41 3.44 0.62 3.14 0.20 -1.26 -5.04 118.68 121.20 2cr9 s LEU 15 Ca 0.50 1.00 -0.18 0.00 0.69 0.00 0.00 54.13 56.14 2cr9 s LEU 15 Cb -0.05 -3.95 -0.02 0.00 -0.43 0.00 0.00 46.19 41.74 2cr9 s LEU 15 CO 0.66 -0.76 1.21 0.42 -0.29 0.00 0.00 176.35 177.59 2cr9 s THR 16 N -2.90 2.58 -0.04 3.68 -4.23 -1.26 -5.03 115.64 108.44 2cr9 s THR 16 Ca 0.51 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 61.42 2cr9 s THR 16 Cb -0.10 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 2cr9 s THR 16 CO 0.47 -0.10 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.49 2cr9 s LEU 17 N -4.32 2.35 -0.93 4.79 1.43 -1.26 -4.76 118.68 115.97 2cr9 s LEU 17 Ca 0.77 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2cr9 s LEU 17 Cb -0.30 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2cr9 s LEU 17 CO 0.36 0.31 0.62 0.29 0.23 0.00 0.00 176.35 178.17 2cr9 n LYS 18 N 2.50 -1.19 -1.38 1.70 4.01 -1.26 -4.54 118.16 118.01 2cr9 n LYS 18 Ca -0.17 0.57 -0.60 0.00 -0.51 0.00 0.00 58.31 57.60 2cr9 n LYS 18 Cb 0.52 -2.33 -0.11 0.00 -0.51 0.00 0.00 35.03 32.60 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2cr9 n GLY 19 N -1.77 0.04 1.16 0.72 0.00 -1.26 -4.75 105.19 99.33 2cr9 n GLY 19 Ca -0.27 1.07 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 6.68 -0.03 2.74 -0.02 0.00 -1.26 -5.02 105.19 108.28 2cr9 n GLY 20 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 1.42 -0.11 4.61 0.00 -1.26 -4.81 121.76 119.62 2cr9 s ALA 21 Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.56 2cr9 s ALA 21 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2cr9 s ALA 21 CO 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 175.76 174.08 2cr9 s ALA 22 N 1.67 2.53 0.04 0.00 0.00 -1.26 -4.76 121.76 119.98 2cr9 s ALA 22 Ca 0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2cr9 s ALA 22 Cb -0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2cr9 s ALA 22 CO -0.20 0.32 0.24 0.08 0.00 0.00 0.00 175.76 176.20 2cr9 s VAL 23 N 0.12 5.35 0.34 0.00 1.01 -1.26 -4.87 120.40 121.10 2cr9 s VAL 23 Ca -0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 2cr9 s VAL 23 Cb -0.15 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2cr9 s VAL 23 CO 0.05 0.22 0.99 -1.81 0.00 0.00 0.00 175.10 174.56 2cr9 s ASP 24 N -2.17 7.15 0.36 3.32 1.11 -1.26 -4.70 116.67 120.48 2cr9 s ASP 24 Ca 0.32 1.94 0.19 0.00 0.18 0.00 0.00 52.55 55.18 2cr9 s ASP 24 Cb -0.13 -2.59 0.51 0.00 1.07 0.00 0.00 42.92 41.79 2cr9 s ASP 24 CO 0.22 -0.21 1.65 1.55 1.18 0.00 0.00 175.17 179.56 2cr9 h PRO 25 N 3.01 0.00 0.00 8.23 0.13 -1.96 -2.81 132.00 138.60 2cr9 h PRO 25 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.64 0.38 0.00 -0.44 -0.23 0.00 0.00 178.00 178.35 2cr9 h ASP 26 N 0.00 0.00 1.02 1.44 3.32 -2.03 -0.75 116.42 119.42 2cr9 h ASP 26 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 2cr9 h ASP 26 Cb 1.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2cr9 h ASP 26 CO 0.05 0.00 -1.03 0.77 -1.72 0.00 0.00 179.24 177.31 2cr9 h SER 27 N 0.00 0.00 0.00 6.45 4.64 -1.90 -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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2cr9 h SER 27 CO 0.00 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2cr9 n GLY 28 N 1.35 3.03 0.17 -0.77 0.00 -0.29 -4.78 105.19 103.90 2cr9 n GLY 28 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2cr9 n GLY 28 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cr9 h LEU 29 N 0.00 0.00 -1.11 0.99 4.07 -1.80 -3.25 115.31 114.21 2cr9 h LEU 29 Ca 0.00 0.00 0.37 0.00 0.08 0.00 0.00 57.88 58.33 2cr9 h LEU 29 Cb 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.64 2cr9 h LEU 29 CO 0.00 0.00 0.72 -1.84 -1.08 0.00 0.00 178.44 176.24 2cr9 n GLU 30 N -2.60 -0.02 -0.00 1.13 0.28 -1.23 0.20 120.64 118.39 2cr9 n GLU 30 Ca 0.03 0.94 0.03 0.00 -0.16 0.00 0.00 57.16 58.00 2cr9 n GLU 30 Cb 0.38 -1.89 -0.04 0.00 1.43 0.00 0.00 31.44 31.33 2cr9 n GLU 30 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2cr9 n HIS 31 N -4.13 0.00 0.00 -1.84 1.44 -1.24 -4.81 115.22 104.64 2cr9 n HIS 31 Ca 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 2cr9 n HIS 31 Cb 1.24 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 31.26 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 -1.54 0.00 -4.66 4.39 2.88 0.53 -4.98 113.62 110.23 2cr9 n SER 32 Ca -0.00 0.22 -0.30 0.00 -1.33 0.00 0.00 58.87 57.46 2cr9 n SER 32 Cb 0.12 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.13 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 -3.36 3.21 0.27 -1.46 0.00 0.16 -3.95 121.76 116.64 2cr9 s ALA 33 Ca 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 51.96 50.93 2cr9 s ALA 33 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2cr9 s ALA 33 CO 0.00 0.69 -0.19 -3.38 0.00 0.00 0.00 175.76 172.88 2cr9 s HIS 34 N -1.29 2.32 0.86 0.00 -3.43 -0.72 -3.63 115.29 109.39 2cr9 s HIS 34 Ca 0.25 -0.33 -0.15 0.00 -0.80 0.00 0.00 55.06 54.03 2cr9 s HIS 34 Cb -0.12 -1.02 -0.04 0.00 -1.43 0.00 0.00 32.58 29.97 2cr9 s HIS 34 CO 0.17 0.69 0.14 1.55 -2.00 0.00 0.00 174.74 175.30 2cr9 n VAL 35 N -0.54 0.58 -3.17 -5.38 3.14 -1.26 0.23 118.33 111.93 2cr9 n VAL 35 Ca -0.06 -0.35 -0.40 0.00 -2.96 0.00 0.00 64.34 60.57 2cr9 n VAL 35 Cb 0.59 -0.48 -0.07 0.00 -1.06 0.00 0.00 33.84 32.83 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2cr9 s LEU 36 N 1.61 4.08 -0.08 6.55 1.98 0.87 -4.40 118.68 129.28 2cr9 s LEU 36 Ca 0.56 0.65 -0.00 0.00 -2.89 0.00 0.00 54.13 52.45 2cr9 s LEU 36 Cb -0.27 -2.78 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2cr9 s LEU 36 CO 0.68 -0.31 -0.05 -1.61 -1.89 0.00 0.00 176.35 173.16 2cr9 s GLU 37 N 2.27 2.90 -0.03 1.98 2.02 -1.26 -1.02 118.70 125.57 2cr9 s GLU 37 Ca 0.24 -0.52 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 2cr9 s GLU 37 Cb -0.16 -2.66 0.04 0.00 0.10 0.00 0.00 34.13 31.45 2cr9 s GLU 37 CO 0.09 0.62 0.41 0.15 0.02 0.00 0.00 175.26 176.55 2cr9 s LYS 38 N -0.67 0.77 -1.41 1.61 1.02 0.89 -4.92 119.74 117.03 2cr9 s LYS 38 Ca 0.10 -0.05 -0.08 0.00 0.02 0.00 0.00 55.97 55.97 2cr9 s LYS 38 Cb -0.11 0.35 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 2cr9 s LYS 38 CO 0.02 -0.22 0.15 0.41 -0.92 0.00 0.00 175.35 174.79 2cr9 n GLY 39 N 1.23 -0.27 3.71 -3.33 0.00 -1.26 0.21 105.19 105.48 2cr9 n GLY 39 Ca -0.21 0.20 -0.28 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 -2.42 -0.48 3.07 -0.02 0.00 -1.26 -4.95 105.19 99.13 2cr9 n GLY 40 Ca -0.27 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -6.39 0.63 -0.09 1.61 -0.14 0.55 -5.06 119.74 110.84 2cr9 s LYS 41 Ca 0.56 -0.68 -0.03 0.00 -1.36 0.00 0.00 55.97 54.46 2cr9 s LYS 41 Cb -0.29 -0.51 -0.03 0.00 -1.68 0.00 0.00 37.83 35.31 2cr9 s LYS 41 CO 0.69 0.12 0.03 0.08 -0.76 0.00 0.00 175.35 175.51 2cr9 s VAL 42 N -1.03 4.57 -0.19 3.17 1.01 -1.26 -0.07 120.40 126.60 2cr9 s VAL 42 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2cr9 s VAL 42 Cb -0.08 -2.94 0.20 0.00 0.00 0.00 0.00 36.38 33.56 2cr9 s VAL 42 CO 0.01 0.61 1.59 0.49 0.00 0.00 0.00 175.10 177.79 2cr9 n PHE 43 N 2.10 1.09 -3.66 5.22 3.01 -0.19 -4.73 117.46 120.30 2cr9 n PHE 43 Ca -0.19 -1.25 -0.38 0.00 1.01 0.00 0.00 57.45 56.63 2cr9 n PHE 43 Cb 0.54 -0.62 -0.10 0.00 -0.01 0.00 0.00 39.48 39.29 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 0.38 5.49 -0.03 4.37 0.15 -1.26 -3.22 113.70 119.58 2cr9 s SER 44 Ca 0.21 -2.14 0.05 0.00 0.70 0.00 0.00 55.95 54.77 2cr9 s SER 44 Cb 0.17 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 2cr9 s SER 44 CO 0.02 -0.58 -0.18 0.00 1.20 0.00 0.00 173.24 173.70 2cr9 s ALA 45 N 1.00 2.50 -0.43 5.45 0.00 -0.77 -5.03 121.76 124.49 2cr9 s ALA 45 Ca 0.09 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2cr9 s ALA 45 Cb -0.23 -0.81 0.12 0.00 0.00 0.00 0.00 23.12 22.19 2cr9 s ALA 45 CO -0.03 0.55 0.19 0.99 0.00 0.00 0.00 175.76 177.46 2cr9 s THR 46 N -0.72 2.96 0.48 0.00 2.01 -1.26 -1.49 115.64 117.61 2cr9 s THR 46 Ca 0.11 -2.39 -0.16 0.00 0.31 0.00 0.00 61.69 59.56 2cr9 s THR 46 Cb -0.10 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 2cr9 s THR 46 CO 0.01 -0.70 0.94 -0.76 -0.69 0.00 0.00 174.62 173.41 2cr9 s LEU 47 N 0.76 3.72 -0.23 4.42 1.02 0.25 -0.60 118.68 128.03 2cr9 s LEU 47 Ca 0.11 1.51 -0.19 0.00 0.02 0.00 0.00 54.13 55.58 2cr9 s LEU 47 Cb -0.22 -4.42 0.06 0.00 0.02 0.00 0.00 46.19 41.64 2cr9 s LEU 47 CO -0.05 -0.51 0.59 -0.83 0.02 0.00 0.00 176.35 175.58 2cr9 s GLY 48 N -2.91 -0.46 -0.06 -3.19 0.00 0.06 0.23 107.32 100.99 2cr9 s GLY 48 Ca 0.58 1.77 -0.04 0.00 0.00 0.00 0.00 44.72 47.03 2cr9 s GLY 48 CO 0.28 1.59 0.14 -2.27 0.00 0.00 0.00 173.10 172.84 2cr9 s LEU 49 N 0.58 1.17 -0.10 0.66 2.96 -0.59 -3.13 118.68 120.24 2cr9 s LEU 49 Ca -0.02 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2cr9 s LEU 49 Cb -0.05 0.41 0.05 0.00 0.50 0.00 0.00 46.19 47.10 2cr9 s LEU 49 CO -0.03 -0.09 0.20 0.54 -1.32 0.00 0.00 176.35 175.65 2cr9 s VAL 50 N 0.54 -0.22 0.41 1.68 0.11 -1.26 0.27 120.40 121.93 2cr9 s VAL 50 Ca -0.04 0.26 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 2cr9 s VAL 50 Cb -0.05 -0.34 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 2cr9 s VAL 50 CO -0.02 0.11 0.85 -0.62 -3.33 0.00 0.00 175.10 172.08 2cr9 s ASP 51 N 1.92 6.70 -0.14 3.54 -1.08 0.10 -4.97 116.67 122.74 2cr9 s ASP 51 Ca -0.02 1.39 0.12 0.00 -0.52 0.00 0.00 52.55 53.52 2cr9 s ASP 51 Cb -0.12 -2.43 -0.24 0.00 -1.46 0.00 0.00 42.92 38.68 2cr9 s ASP 51 CO -0.07 -0.38 0.28 0.00 0.52 0.00 0.00 175.17 175.52 2cr9 n ILE 52 N -0.95 1.52 -0.05 4.11 3.06 -1.26 -3.13 119.36 122.65 2cr9 n ILE 52 Ca 0.05 -0.79 -0.01 0.00 -2.50 0.00 0.00 62.75 59.50 2cr9 n ILE 52 Cb 0.54 -0.88 -0.00 0.00 0.54 0.00 0.00 39.64 39.83 2cr9 n ILE 52 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 2cr9 h VAL 53 N 0.01 0.00 0.00 9.51 2.07 -1.97 -3.30 116.25 122.57 2cr9 h VAL 53 Ca -0.45 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2cr9 h VAL 53 Cb 2.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2cr9 h VAL 53 CO 0.04 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.92 2cr9 n LYS 54 N -4.45 0.14 -1.54 1.57 4.76 -1.26 -4.79 118.16 112.58 2cr9 n LYS 54 Ca -0.01 0.55 -0.15 0.00 -2.87 0.00 0.00 58.31 55.83 2cr9 n LYS 54 Cb 0.04 -1.88 -0.06 0.00 -1.84 0.00 0.00 35.03 31.29 2cr9 n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cr9 n GLY 55 N -0.88 1.24 3.74 0.72 0.00 -1.18 -4.92 105.19 103.91 2cr9 n GLY 55 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.33 5.29 -0.12 2.61 -4.23 -1.24 -4.89 115.64 110.74 2cr9 s THR 56 Ca 0.00 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 2cr9 s THR 56 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 2cr9 s THR 56 CO 0.00 0.41 -0.03 0.20 -0.54 0.00 0.00 174.62 174.66 2cr9 s ASN 57 N 0.27 4.92 0.19 3.99 -0.87 -1.26 0.02 114.94 122.19 2cr9 s ASN 57 Ca 0.17 -0.02 0.07 0.00 -1.57 0.00 0.00 52.86 51.51 2cr9 s ASN 57 Cb -0.13 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.25 39.47 2cr9 s ASN 57 CO 0.05 0.26 -0.13 -0.55 -2.57 0.00 0.00 177.10 174.16 2cr9 s SER 58 N -0.21 2.33 -0.21 -1.22 0.15 0.76 -1.57 113.70 113.74 2cr9 s SER 58 Ca 0.04 -1.01 -0.06 0.00 0.70 0.00 0.00 55.95 55.62 2cr9 s SER 58 Cb -0.13 -0.10 0.10 0.00 -1.71 0.00 0.00 66.02 64.19 2cr9 s SER 58 CO 0.02 -0.22 0.41 -0.72 1.20 0.00 0.00 173.24 173.94 2cr9 s TYR 59 N -3.05 -0.81 -0.03 3.44 -0.85 -1.14 -1.54 117.35 113.37 2cr9 s TYR 59 Ca 0.20 1.39 0.01 0.00 -0.52 0.00 0.00 57.07 58.15 2cr9 s TYR 59 Cb 0.00 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 2cr9 s TYR 59 CO 0.05 -0.53 -0.02 -0.47 -1.52 0.00 0.00 175.55 173.06 2cr9 s TYR 60 N 2.60 3.05 -0.05 -3.49 5.04 0.13 -3.84 117.35 120.79 2cr9 s TYR 60 Ca 0.01 0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.74 2cr9 s TYR 60 Cb -0.13 -1.69 0.01 0.00 0.35 0.00 0.00 41.96 40.51 2cr9 s TYR 60 CO -0.13 0.43 -0.10 0.15 -1.34 0.00 0.00 175.55 174.56 2cr9 s LYS 61 N -1.31 1.38 -0.07 4.97 -0.14 -0.38 0.85 119.74 125.04 2cr9 s LYS 61 Ca 0.17 -0.32 0.03 0.00 -1.36 0.00 0.00 55.97 54.49 2cr9 s LYS 61 Cb -0.11 -1.19 0.01 0.00 -1.68 0.00 0.00 37.83 34.86 2cr9 s LYS 61 CO 0.07 0.01 -0.14 -1.17 -0.76 0.00 0.00 175.35 173.36 2cr9 s LEU 62 N 0.68 1.71 -0.23 3.17 2.96 -0.56 -0.95 118.68 125.46 2cr9 s LEU 62 Ca -0.13 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2cr9 s LEU 62 Cb -0.15 -0.88 0.12 0.00 0.50 0.00 0.00 46.19 45.78 2cr9 s LEU 62 CO 0.02 0.05 0.36 -1.10 -1.32 0.00 0.00 176.35 174.37 2cr9 s GLN 63 N 0.57 0.32 -0.79 1.98 -0.21 -1.16 -1.84 119.66 118.54 2cr9 s GLN 63 Ca -0.14 0.54 -0.22 0.00 0.02 0.00 0.00 55.36 55.57 2cr9 s GLN 63 Cb -0.15 -0.48 0.08 0.00 1.00 0.00 0.00 33.01 33.45 2cr9 s GLN 63 CO 0.04 -0.60 1.09 -1.17 -2.12 0.00 0.00 175.29 172.53 2cr9 s LEU 64 N 2.52 4.40 0.34 2.90 0.20 -1.20 -3.01 118.68 124.84 2cr9 s LEU 64 Ca 0.11 -1.32 -0.25 0.00 0.69 0.00 0.00 54.13 53.36 2cr9 s LEU 64 Cb -0.15 -2.44 -0.10 0.00 -0.43 0.00 0.00 46.19 43.07 2cr9 s LEU 64 CO -0.15 -1.37 0.94 -0.76 -0.29 0.00 0.00 176.35 174.72 2cr9 s LEU 65 N 3.88 4.25 0.09 -0.68 1.43 -1.23 0.30 118.68 126.71 2cr9 s LEU 65 Ca 0.29 1.79 0.09 0.00 -1.03 0.00 0.00 54.13 55.26 2cr9 s LEU 65 Cb -0.11 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 2cr9 s LEU 65 CO 0.02 -0.13 -0.22 -1.83 0.23 0.00 0.00 176.35 174.42 2cr9 s GLU 66 N -2.30 1.29 0.28 1.70 -1.05 0.62 -1.75 118.70 117.49 2cr9 s GLU 66 Ca 0.52 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.92 2cr9 s GLU 66 Cb -0.16 -1.56 -0.10 0.00 -0.44 0.00 0.00 34.13 31.87 2cr9 s GLU 66 CO 0.21 0.38 1.43 0.34 0.95 0.00 0.00 175.26 178.57 2cr9 s ASP 67 N -1.69 6.63 0.33 0.83 2.15 0.65 -1.76 116.67 123.82 2cr9 s ASP 67 Ca 0.08 2.72 0.04 0.00 0.43 0.00 0.00 52.55 55.83 2cr9 s ASP 67 Cb -0.10 -2.63 0.67 0.00 -0.30 0.00 0.00 42.92 40.56 2cr9 s ASP 67 CO 0.04 -0.70 1.91 -0.78 -0.17 0.00 0.00 175.17 175.47 2cr9 h ASP 68 N 4.56 0.77 -0.06 -0.34 1.82 -1.87 0.94 116.42 122.24 2cr9 h ASP 68 Ca -0.47 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2cr9 h ASP 68 Cb 1.22 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2cr9 h ASP 68 CO 0.74 0.46 0.00 0.29 -1.61 0.00 0.00 179.24 179.13 2cr9 n LYS 69 N -4.52 1.22 -2.93 0.28 5.02 -1.26 -4.96 118.16 111.01 2cr9 n LYS 69 Ca 0.14 -0.33 -0.02 0.00 -2.02 0.00 0.00 58.31 56.09 2cr9 n LYS 69 Cb 0.29 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.41 -2.28 0.00 1.97 1.02 0.33 -4.91 120.64 116.35 2cr9 n GLU 70 Ca 0.12 1.96 0.00 0.00 -0.02 0.00 0.00 57.16 59.22 2cr9 n GLU 70 Cb 0.13 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 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 1.83 0.00 -4.34 1.62 2.85 -1.26 -5.00 115.26 110.96 2cr9 n ASN 71 Ca -0.12 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.03 2cr9 n ASN 71 Cb 0.28 0.07 -0.15 0.00 1.24 0.00 0.00 39.78 41.22 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2cr9 s ARG 72 N -1.85 2.92 0.33 1.20 3.52 -1.26 -4.60 118.95 119.20 2cr9 s ARG 72 Ca 0.00 -0.78 0.09 0.00 -0.13 0.00 0.00 55.73 54.91 2cr9 s ARG 72 Cb 0.00 -2.40 -0.06 0.00 -1.56 0.00 0.00 34.95 30.93 2cr9 s ARG 72 CO 0.00 0.34 -0.09 0.71 -0.81 0.00 0.00 175.30 175.45 2cr9 s TYR 73 N -0.02 2.30 0.35 5.12 1.51 -1.22 -0.25 117.35 125.13 2cr9 s TYR 73 Ca -0.05 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.51 2cr9 s TYR 73 Cb -0.15 -1.32 -0.07 0.00 -0.11 0.00 0.00 41.96 40.32 2cr9 s TYR 73 CO 0.05 0.52 0.05 -1.58 -1.11 0.00 0.00 175.55 173.47 2cr9 s TRP 74 N -2.70 2.10 -0.33 2.71 0.51 -0.72 0.10 118.94 120.61 2cr9 s TRP 74 Ca 0.32 -0.89 -0.01 0.00 -2.12 0.00 0.00 56.10 53.40 2cr9 s TRP 74 Cb 0.03 -1.40 0.11 0.00 -0.81 0.00 0.00 33.47 31.39 2cr9 s TRP 74 CO 0.15 0.11 0.13 0.42 -0.51 0.00 0.00 176.95 177.26 2cr9 s ILE 75 N -3.16 0.77 0.03 2.03 -1.09 0.65 -3.54 121.20 116.89 2cr9 s ILE 75 Ca 0.36 -1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 57.09 2cr9 s ILE 75 Cb 0.09 -1.58 -0.06 0.00 -1.58 0.00 0.00 42.46 39.33 2cr9 s ILE 75 CO 0.16 -0.75 0.48 0.12 -1.23 0.00 0.00 174.94 173.72 2cr9 s PHE 76 N 1.44 3.76 -0.23 3.97 2.19 -1.16 -2.06 117.98 125.88 2cr9 s PHE 76 Ca 0.12 1.11 -0.05 0.00 0.33 0.00 0.00 56.93 58.44 2cr9 s PHE 76 Cb -0.19 -2.38 0.12 0.00 -1.31 0.00 0.00 43.02 39.27 2cr9 s PHE 76 CO -0.21 0.62 0.45 -0.98 1.83 0.00 0.00 175.22 176.93 2cr9 s ARG 77 N -1.11 0.38 0.04 10.12 1.70 -0.52 -2.97 118.95 126.59 2cr9 s ARG 77 Ca 0.26 0.90 0.02 0.00 -0.47 0.00 0.00 55.73 56.44 2cr9 s ARG 77 Cb -0.18 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.29 2cr9 s ARG 77 CO 0.16 -0.42 0.04 -1.54 -1.08 0.00 0.00 175.30 172.46 2cr9 s SER 78 N 2.64 5.35 0.24 -2.89 1.04 -0.12 -1.11 113.70 118.85 2cr9 s SER 78 Ca 0.05 -0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.29 2cr9 s SER 78 Cb -0.14 -1.42 0.02 0.00 0.10 0.00 0.00 66.02 64.59 2cr9 s SER 78 CO -0.15 0.23 0.62 -1.66 0.98 0.00 0.00 173.24 173.25 2cr9 s TRP 79 N -1.24 -0.12 0.00 5.02 -2.14 -0.67 -1.24 118.94 118.54 2cr9 s TRP 79 Ca 0.24 -0.27 0.00 0.00 2.66 0.00 0.00 56.10 58.74 2cr9 s TRP 79 Cb -0.12 0.53 0.00 0.00 -3.10 0.00 0.00 33.47 30.78 2cr9 s TRP 79 CO 0.16 -1.07 0.00 0.41 -2.66 0.00 0.00 176.95 173.79 2cr9 n GLY 80 N -0.41 4.16 3.50 3.67 0.00 -1.25 -1.45 105.19 113.42 2cr9 n GLY 80 Ca -0.07 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.74 -2.02 -0.01 1.61 3.00 -1.26 -2.90 116.66 113.33 2cr9 n ARG 81 Ca 0.00 -0.55 -0.01 0.00 -0.01 0.00 0.00 57.85 57.28 2cr9 n ARG 81 Cb 0.00 -2.18 -0.00 0.00 0.00 0.00 0.00 32.46 30.28 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 -2.50 0.00 -2.24 1.55 2.07 -1.63 -3.42 116.25 110.09 2cr9 h VAL 82 Ca -0.58 -0.13 -0.80 0.00 0.82 0.00 0.00 66.70 66.02 2cr9 h VAL 82 Cb 1.32 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.85 2cr9 h VAL 82 CO 0.47 0.00 1.24 0.61 0.02 0.00 0.00 177.57 179.91 2cr9 n GLY 83 N 1.75 5.54 0.00 2.17 0.00 -1.26 -4.92 105.19 108.48 2cr9 n GLY 83 Ca -0.01 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.52 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 1.01 0.00 -0.03 2.61 -1.04 -1.26 -5.05 114.28 110.52 2cr9 n THR 84 Ca 0.41 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.32 2cr9 n THR 84 Cb 0.29 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.66 2cr9 n THR 84 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2cr9 n VAL 85 N 0.00 1.61 -0.89 12.58 0.24 -1.26 -4.94 118.33 125.67 2cr9 n VAL 85 Ca 0.00 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.34 61.18 2cr9 n VAL 85 Cb 0.00 -1.08 0.09 0.00 -1.47 0.00 0.00 33.84 31.39 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2cr9 n ILE 86 N -3.07 0.10 0.00 1.34 5.41 -1.26 -4.97 119.36 116.90 2cr9 n ILE 86 Ca -0.20 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2cr9 n ILE 86 Cb 1.06 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 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 2.11 3.44 3.73 7.39 0.00 -1.26 -4.28 105.19 116.32 2cr9 n GLY 87 Ca 0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.32 0.31 1.61 0.01 -0.53 -5.00 113.70 109.78 2cr9 s SER 88 Ca 0.00 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.88 2cr9 s SER 88 Cb 0.00 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 2cr9 s SER 88 CO 0.00 -1.16 0.13 0.54 0.41 0.00 0.00 173.24 173.16 2cr9 s ASN 89 N -2.86 1.66 -0.15 2.44 2.20 -1.26 -1.68 114.94 115.28 2cr9 s ASN 89 Ca 0.09 -1.51 -0.05 0.00 -0.94 0.00 0.00 52.86 50.44 2cr9 s ASN 89 Cb -0.04 0.30 0.07 0.00 -2.00 0.00 0.00 41.25 39.59 2cr9 s ASN 89 CO 0.01 -0.83 0.30 -0.75 -2.94 0.00 0.00 177.10 172.89 2cr9 s LYS 90 N -3.87 0.19 -0.24 3.55 2.47 -0.27 -4.97 119.74 116.60 2cr9 s LYS 90 Ca 0.35 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 55.55 2cr9 s LYS 90 Cb 0.06 -0.00 0.04 0.00 -1.46 0.00 0.00 37.83 36.46 2cr9 s LYS 90 CO 0.16 -0.30 -0.10 -1.17 0.16 0.00 0.00 175.35 174.10 2cr9 s LEU 91 N 2.47 3.10 0.28 5.43 2.96 -1.26 -1.44 118.68 130.22 2cr9 s LEU 91 Ca 0.01 -1.02 0.10 0.00 -0.22 0.00 0.00 54.13 53.00 2cr9 s LEU 91 Cb -0.12 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2cr9 s LEU 91 CO -0.10 -0.13 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.18 2cr9 s GLU 92 N 1.24 2.22 -0.23 1.98 0.41 -0.88 -4.91 118.70 118.54 2cr9 s GLU 92 Ca -0.02 -1.49 -0.04 0.00 -0.41 0.00 0.00 54.97 53.01 2cr9 s GLU 92 Cb -0.17 -2.10 -0.00 0.00 -1.78 0.00 0.00 34.13 30.07 2cr9 s GLU 92 CO -0.06 0.33 -0.04 -1.14 -0.49 0.00 0.00 175.26 173.86 2cr9 s GLN 93 N -3.67 3.29 0.18 1.61 -0.44 -1.26 -0.26 119.66 119.12 2cr9 s GLN 93 Ca 0.32 -0.68 -0.14 0.00 -2.50 0.00 0.00 55.36 52.36 2cr9 s GLN 93 Cb -0.06 -3.03 -0.07 0.00 -1.64 0.00 0.00 33.01 28.21 2cr9 s GLN 93 CO 0.20 -0.24 0.58 -1.64 0.50 0.00 0.00 175.29 174.69 2cr9 s MET 94 N 1.46 3.97 -0.08 1.67 -1.94 0.28 -4.97 119.30 119.70 2cr9 s MET 94 Ca 0.05 0.49 -0.27 0.00 -1.71 0.00 0.00 55.69 54.25 2cr9 s MET 94 Cb -0.15 -2.83 -0.23 0.00 2.01 0.00 0.00 34.83 33.64 2cr9 s MET 94 CO -0.03 0.41 0.99 -1.00 -0.01 0.00 0.00 175.02 175.38 2cr9 h PRO 95 N 3.24 -0.01 -5.88 2.03 0.13 -1.92 -3.23 132.00 126.36 2cr9 h PRO 95 Ca -0.48 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 2cr9 h PRO 95 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2cr9 h PRO 95 CO 0.66 0.72 -0.66 0.45 -0.23 0.00 0.00 178.00 178.94 2cr9 s SER 96 N -5.94 3.77 0.18 1.44 0.15 -1.26 -4.74 113.70 107.31 2cr9 s SER 96 Ca -0.17 -1.23 -0.10 0.00 0.70 0.00 0.00 55.95 55.15 2cr9 s SER 96 Cb -0.01 -0.36 0.10 0.00 -1.71 0.00 0.00 66.02 64.04 2cr9 s SER 96 CO 0.66 -0.25 1.72 0.50 1.20 0.00 0.00 173.24 177.08 2cr9 h LYS 97 N 1.97 1.01 0.83 5.44 3.64 -1.91 -2.74 116.57 124.81 2cr9 h LYS 97 Ca -0.42 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 58.71 2cr9 h LYS 97 Cb 1.25 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2cr9 h LYS 97 CO 0.72 0.87 -0.40 0.93 -2.27 0.00 0.00 179.45 179.31 2cr9 h GLU 98 N 0.95 -1.07 -1.21 1.90 5.08 -1.98 0.40 114.58 118.65 2cr9 h GLU 98 Ca 0.21 0.07 0.35 0.00 -1.00 0.00 0.00 59.36 59.00 2cr9 h GLU 98 Cb 0.27 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2cr9 h GLU 98 CO -0.01 -0.70 1.08 -0.44 -1.00 0.00 0.00 179.01 177.93 2cr9 h ASP 99 N -1.20 0.00 0.00 1.42 5.19 -1.96 0.82 116.42 120.69 2cr9 h ASP 99 Ca -0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2cr9 h ASP 99 Cb 0.86 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 2cr9 h ASP 99 CO 0.19 0.00 -0.03 0.00 -3.12 0.00 0.00 179.24 176.28 2cr9 h ALA 100 N 0.98 0.00 -0.50 3.45 0.00 -1.05 -2.94 119.26 119.20 2cr9 h ALA 100 Ca 0.57 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.31 2cr9 h ALA 100 Cb 2.72 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 20.47 2cr9 h ALA 100 CO -0.01 0.02 0.08 0.82 0.00 0.00 0.00 179.25 180.17 2cr9 h ILE 101 N -1.00 0.70 -0.27 0.00 2.04 0.23 0.68 117.51 119.89 2cr9 h ILE 101 Ca -0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.84 2cr9 h ILE 101 Cb 0.49 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2cr9 h ILE 101 CO -0.00 0.04 -0.16 -0.33 0.00 0.00 0.00 178.15 177.69 2cr9 h GLU 102 N 0.22 -0.13 0.11 2.37 5.08 0.19 1.36 114.58 123.78 2cr9 h GLU 102 Ca 0.25 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2cr9 h GLU 102 Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2cr9 h GLU 102 CO -0.34 -0.09 -0.05 1.25 -1.00 0.00 0.00 179.01 178.78 2cr9 h HIS 103 N -0.14 -0.14 -0.41 4.33 2.76 -1.07 0.37 115.15 120.86 2cr9 h HIS 103 Ca 0.14 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 2cr9 h HIS 103 Cb 0.36 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2cr9 h HIS 103 CO -0.34 0.04 0.28 0.35 -1.30 0.00 0.00 177.93 176.96 2cr9 h PHE 104 N -0.29 0.30 0.05 5.26 3.57 0.92 1.48 116.94 128.23 2cr9 h PHE 104 Ca -0.02 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 2cr9 h PHE 104 Cb 0.24 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2cr9 h PHE 104 CO -0.02 0.16 -1.06 0.52 -2.23 0.00 0.00 178.31 175.68 2cr9 h MET 105 N 0.30 0.14 0.11 1.11 2.86 0.23 -3.01 114.93 116.67 2cr9 h MET 105 Ca 0.18 -0.21 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 2cr9 h MET 105 Cb 0.33 0.08 0.02 0.00 0.06 0.00 0.00 31.60 32.09 2cr9 h MET 105 CO -0.04 1.06 -0.62 -0.22 1.06 0.00 0.00 176.91 178.15 2cr9 h LYS 106 N 0.05 0.23 -0.06 1.72 3.64 0.12 -3.00 116.57 119.26 2cr9 h LYS 106 Ca -0.06 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2cr9 h LYS 106 Cb 1.78 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 33.68 2cr9 h LYS 106 CO 0.16 1.18 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.91 2cr9 h LEU 107 N -0.53 -1.69 -0.10 5.20 3.38 0.19 0.88 115.31 122.65 2cr9 h LEU 107 Ca -0.11 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2cr9 h LEU 107 Cb 1.49 0.65 0.00 0.00 0.09 0.00 0.00 40.66 42.89 2cr9 h LEU 107 CO 0.11 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.14 2cr9 n TYR 108 N -5.42 0.06 0.25 1.13 4.19 -1.13 -0.26 117.16 115.97 2cr9 n TYR 108 Ca -0.07 0.03 0.11 0.00 3.31 0.00 0.00 57.90 61.28 2cr9 n TYR 108 Cb 0.39 -0.55 -0.07 0.00 0.49 0.00 0.00 39.34 39.60 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 -1.56 0.50 0.01 2.98 2.13 0.25 -3.18 120.64 121.76 2cr9 n GLU 109 Ca 0.01 -0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.69 2cr9 n GLU 109 Cb 0.05 -1.61 -0.13 0.00 0.27 0.00 0.00 31.44 30.01 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 0.01 0.00 5.31 4.11 0.34 -1.43 114.58 122.92 2cr9 h GLU 110 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2cr9 h GLU 110 Cb 0.89 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2cr9 h GLU 110 CO 0.00 0.71 -0.02 0.87 0.07 0.00 0.00 179.01 180.64 2cr9 h LYS 111 N 0.00 0.00 0.00 1.06 1.79 -1.58 -3.36 116.57 114.47 2cr9 h LYS 111 Ca -0.18 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.24 2cr9 h LYS 111 Cb 1.92 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.56 2cr9 h LYS 111 CO 0.10 0.00 -0.25 1.79 -1.08 0.00 0.00 179.45 180.01 2cr9 h THR 112 N -0.24 0.92 0.00 -0.16 1.35 -1.62 -2.30 112.91 110.87 2cr9 h THR 112 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2cr9 h THR 112 Cb 0.02 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2cr9 h THR 112 CO 0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 2cr9 n GLY 113 N -0.52 3.18 3.91 5.82 0.00 -0.54 -4.51 105.19 112.54 2cr9 n GLY 113 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.81 6.28 0.71 1.61 0.01 -1.24 -4.81 114.94 116.68 2cr9 s ASN 114 Ca 0.00 0.22 -0.16 0.00 -0.71 0.00 0.00 52.86 52.20 2cr9 s ASN 114 Cb 0.00 -1.90 0.02 0.00 0.41 0.00 0.00 41.25 39.78 2cr9 s ASN 114 CO 0.00 0.14 1.20 0.00 -1.51 0.00 0.00 177.10 176.93 2cr9 n ALA 115 N 0.09 0.53 -0.29 0.60 0.00 -1.26 -3.87 120.51 116.30 2cr9 n ALA 115 Ca -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 2cr9 n ALA 115 Cb 0.52 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 2cr9 n ALA 115 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2cr9 h TRP 116 N -0.03 -1.28 0.00 0.00 2.91 -1.85 -2.99 115.95 112.71 2cr9 h TRP 116 Ca -0.49 0.10 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2cr9 h TRP 116 Cb 1.33 0.67 0.00 0.00 -0.51 0.00 0.00 29.16 30.65 2cr9 h TRP 116 CO 0.42 -0.41 0.00 1.58 -1.03 0.00 0.00 178.44 179.01 2cr9 n HIS 117 N -5.41 0.00 -3.16 2.65 -0.00 -1.26 -4.97 115.22 103.07 2cr9 n HIS 117 Ca 0.05 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.23 2cr9 n HIS 117 Cb 0.35 -0.19 -0.00 0.00 -0.12 0.00 0.00 29.99 30.03 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2cr9 n SER 118 N -1.07 -6.75 -0.13 0.26 2.88 -1.13 -4.79 113.62 102.88 2cr9 n SER 118 Ca 0.00 0.53 -0.04 0.00 -1.33 0.00 0.00 58.87 58.03 2cr9 n SER 118 Cb 0.00 -1.68 -0.03 0.00 -0.75 0.00 0.00 64.21 61.75 2cr9 n SER 118 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2cr9 h LYS 119 N 3.84 -0.00 -6.09 -1.46 1.57 -1.93 -3.37 116.57 109.12 2cr9 h LYS 119 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.18 2cr9 h LYS 119 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 2cr9 h LYS 119 CO 0.00 -0.00 -0.13 -0.80 -0.57 0.00 0.00 179.45 177.95 2cr9 s ASN 120 N -3.80 6.91 -0.27 0.86 -0.87 -1.26 -5.06 114.94 111.44 2cr9 s ASN 120 Ca -0.04 1.08 -0.04 0.00 -1.57 0.00 0.00 52.86 52.29 2cr9 s ASN 120 Cb 0.04 -2.30 0.02 0.00 -0.02 0.00 0.00 41.25 38.99 2cr9 s ASN 120 CO 0.20 0.29 0.00 0.12 -2.57 0.00 0.00 177.10 175.14 2cr9 s PHE 121 N -1.01 3.10 -0.42 2.20 5.36 -1.26 -5.01 117.98 120.95 2cr9 s PHE 121 Ca 0.26 -1.30 -0.19 0.00 -0.96 0.00 0.00 56.93 54.75 2cr9 s PHE 121 Cb -0.18 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2cr9 s PHE 121 CO 0.15 -0.66 0.52 0.99 -1.46 0.00 0.00 175.22 174.77 2cr9 s THR 122 N 1.40 4.98 -0.75 0.12 2.01 -1.26 -4.99 115.64 117.16 2cr9 s THR 122 Ca 0.01 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 2cr9 s THR 122 Cb -0.17 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2cr9 s THR 122 CO -0.01 -0.45 2.03 -0.75 -0.69 0.00 0.00 174.62 174.74 2cr9 s LYS 123 N 2.42 2.40 0.63 4.92 2.36 -1.26 -4.94 119.74 126.27 2cr9 s LYS 123 Ca 0.17 0.29 -0.06 0.00 -2.55 0.00 0.00 55.97 53.81 2cr9 s LYS 123 Cb -0.16 -4.75 0.03 0.00 -1.05 0.00 0.00 37.83 31.90 2cr9 s LYS 123 CO 0.15 -3.30 0.94 0.71 1.55 0.00 0.00 175.35 175.41 2cr9 s TYR 124 N 10.60 3.15 -0.11 4.03 2.02 -1.26 -5.02 117.35 130.76 2cr9 s TYR 124 Ca 0.75 0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 57.74 2cr9 s TYR 124 Cb -0.11 -2.89 -0.02 0.00 -0.40 0.00 0.00 41.96 38.54 2cr9 s TYR 124 CO 0.10 -1.01 1.25 -1.25 -1.57 0.00 0.00 175.55 173.07 2cr9 s PRO 125 N -5.08 4.28 0.00 -1.71 0.04 -1.26 -3.13 135.00 128.15 2cr9 s PRO 125 Ca 0.56 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2cr9 s PRO 125 Cb -0.11 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2cr9 s PRO 125 CO 0.45 -0.60 0.00 1.63 0.04 0.00 0.00 177.00 178.53 2cr9 n LYS 126 N 5.97 0.00 -1.60 4.56 5.02 -1.26 -4.98 118.16 125.87 2cr9 n LYS 126 Ca 0.13 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.95 2cr9 n LYS 126 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.43 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 1.41 -2.37 1.97 4.76 -1.18 -4.93 118.16 117.82 2cr9 n LYS 127 Ca 0.00 0.50 -0.32 0.00 -2.87 0.00 0.00 58.31 55.62 2cr9 n LYS 127 Cb 0.00 -2.01 -0.03 0.00 -1.84 0.00 0.00 35.03 31.15 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 -0.35 3.39 0.21 2.13 0.40 -0.86 -4.70 117.98 118.19 2cr9 s PHE 128 Ca 0.69 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 58.53 2cr9 s PHE 128 Cb -0.77 -2.82 -0.05 0.00 0.51 0.00 0.00 43.02 39.89 2cr9 s PHE 128 CO 0.53 -0.46 -0.01 1.52 0.70 0.00 0.00 175.22 177.50 2cr9 s TYR 129 N -2.58 1.43 -0.09 0.36 -0.85 -1.18 -3.68 117.35 110.76 2cr9 s TYR 129 Ca 0.60 -0.94 -0.30 0.00 -0.52 0.00 0.00 57.07 55.91 2cr9 s TYR 129 Cb -0.11 -0.82 -0.03 0.00 0.38 0.00 0.00 41.96 41.39 2cr9 s TYR 129 CO 0.31 -0.09 1.24 -1.25 -1.52 0.00 0.00 175.55 174.25 2cr9 s PRO 130 N -3.87 4.30 -0.07 -3.49 0.04 -1.26 -0.76 135.00 129.89 2cr9 s PRO 130 Ca 0.26 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 2cr9 s PRO 130 Cb 0.05 -3.63 -0.15 0.00 0.04 0.00 0.00 34.50 30.81 2cr9 s PRO 130 CO 0.07 -0.55 0.76 -0.07 0.04 0.00 0.00 177.00 177.25 2cr9 h LEU 131 N 8.74 -0.15 -8.97 -3.56 3.38 -1.17 -3.44 115.31 110.13 2cr9 h LEU 131 Ca -0.32 -0.38 -0.63 0.00 0.09 0.00 0.00 57.88 56.65 2cr9 h LEU 131 Cb 1.14 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 2cr9 h LEU 131 CO 0.91 0.44 -0.61 -0.70 0.09 0.00 0.00 178.44 178.57 2cr9 s GLU 132 N -3.09 3.83 -0.01 1.13 2.12 -1.26 -5.09 118.70 116.33 2cr9 s GLU 132 Ca -0.12 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.80 2cr9 s GLU 132 Cb 0.00 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2cr9 s GLU 132 CO 0.44 0.25 -0.04 0.42 -0.54 0.00 0.00 175.26 175.79 2cr9 s ILE 133 N 0.39 0.37 0.54 -3.70 1.09 -1.26 -4.77 121.20 113.86 2cr9 s ILE 133 Ca -0.00 -0.16 0.08 0.00 -1.10 0.00 0.00 60.65 59.47 2cr9 s ILE 133 Cb -0.13 -0.34 0.06 0.00 -1.06 0.00 0.00 42.46 40.98 2cr9 s ILE 133 CO 0.01 0.12 0.60 -0.55 -0.10 0.00 0.00 174.94 175.03 2cr9 s SER 134 N 0.13 4.95 0.33 3.58 0.15 -1.26 -5.10 113.70 116.48 2cr9 s SER 134 Ca -0.01 -0.97 -0.26 0.00 0.70 0.00 0.00 55.95 55.41 2cr9 s SER 134 Cb -0.05 0.22 -0.10 0.00 -1.71 0.00 0.00 66.02 64.39 2cr9 s SER 134 CO -0.00 -1.16 0.98 -0.83 1.20 0.00 0.00 173.24 173.42 2cr9 s GLY 135 N -4.46 2.82 1.04 9.45 0.00 -1.26 -5.05 107.32 109.86 2cr9 s GLY 135 Ca 0.50 0.60 -0.16 0.00 0.00 0.00 0.00 44.72 45.65 2cr9 s GLY 135 CO 0.31 1.06 1.20 2.56 0.00 0.00 0.00 173.10 178.22 2cr9 s PRO 136 N -2.06 0.10 -0.19 2.90 0.04 -1.26 -5.05 135.00 129.49 2cr9 s PRO 136 Ca 0.51 -0.11 -0.17 0.00 0.04 0.00 0.00 61.00 61.27 2cr9 s PRO 136 Cb -0.21 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2cr9 s PRO 136 CO 0.26 -2.83 -0.33 -1.13 0.04 0.00 0.00 177.00 173.02 2cr9 n SER 137 N -4.12 1.93 -3.59 6.66 3.41 -1.26 -5.10 113.62 111.54 2cr9 n SER 137 Ca 0.12 0.36 -0.04 0.00 -0.26 0.00 0.00 58.87 59.05 2cr9 n SER 137 Cb 0.59 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 2cr9 n SER 137 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr9 s SER 138 N -6.04 -0.14 0.00 4.04 0.01 -1.26 -5.33 113.70 104.98 2cr9 s SER 138 Ca -0.29 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2cr9 s SER 138 Cb 0.05 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2cr9 s SER 138 CO 0.42 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.42