#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 -0.34 0.00 1.61 0.01 -1.26 -5.19 113.70 108.54 2cr9 s SER 2 Ca 0.00 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 2cr9 s SER 2 Cb 0.00 0.50 0.09 0.00 0.21 0.00 0.00 66.02 66.82 2cr9 s SER 2 CO 0.00 -0.86 0.78 -0.55 0.41 0.00 0.00 173.24 173.03 2cr9 s SER 3 N -2.72 -0.49 -0.04 2.44 0.15 -1.26 -5.18 113.70 106.60 2cr9 s SER 3 Ca 0.07 0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.65 2cr9 s SER 3 Cb -0.02 0.46 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 2cr9 s SER 3 CO -0.05 -0.66 0.94 -0.83 1.20 0.00 0.00 173.24 173.84 2cr9 s GLY 4 N -2.02 -0.43 0.15 9.45 0.00 -1.26 -5.19 107.32 108.02 2cr9 s GLY 4 Ca -0.01 1.14 -0.24 0.00 0.00 0.00 0.00 44.72 45.61 2cr9 s GLY 4 CO -0.04 0.39 0.68 -0.45 0.00 0.00 0.00 173.10 173.68 2cr9 s SER 5 N -2.40 -0.47 0.25 1.64 0.15 -1.26 -5.09 113.70 106.52 2cr9 s SER 5 Ca 0.06 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2cr9 s SER 5 Cb -0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2cr9 s SER 5 CO -0.08 -0.98 0.00 -1.20 1.20 0.00 0.00 173.24 172.18 2cr9 n SER 6 N -0.38 0.07 0.00 5.45 7.64 -1.26 -5.18 113.62 119.97 2cr9 n SER 6 Ca -0.13 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2cr9 n SER 6 Cb 0.63 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 2cr9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr9 n GLY 7 N 1.90 2.48 3.26 0.23 0.00 -1.26 -5.12 105.19 106.68 2cr9 n GLY 7 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 2cr9 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr9 s LYS 8 N -3.72 0.65 -0.23 1.61 0.00 -1.26 -5.17 119.74 111.62 2cr9 s LYS 8 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 55.97 55.65 2cr9 s LYS 8 Cb 0.00 0.29 0.15 0.00 0.00 0.00 0.00 37.83 38.27 2cr9 s LYS 8 CO 0.00 -0.17 1.15 -1.54 0.00 0.00 0.00 175.35 174.79 2cr9 s SER 9 N -1.04 -0.26 -0.24 0.03 1.04 -1.26 -5.18 113.70 106.79 2cr9 s SER 9 Ca -0.11 0.35 -0.29 0.00 0.48 0.00 0.00 55.95 56.38 2cr9 s SER 9 Cb -0.04 0.31 0.17 0.00 0.10 0.00 0.00 66.02 66.55 2cr9 s SER 9 CO 0.04 -0.19 1.23 -1.61 0.98 0.00 0.00 173.24 173.68 2cr9 s GLU 10 N -0.73 0.25 -0.28 4.02 2.02 -1.26 -5.17 118.70 117.55 2cr9 s GLU 10 Ca 0.03 0.07 -0.21 0.00 0.02 0.00 0.00 54.97 54.88 2cr9 s GLU 10 Cb -0.02 0.12 0.09 0.00 0.10 0.00 0.00 34.13 34.42 2cr9 s GLU 10 CO -0.04 -0.08 0.80 -1.59 0.02 0.00 0.00 175.26 174.37 2cr9 s LYS 11 N -1.00 0.67 -0.01 1.61 0.00 -1.26 -5.17 119.74 114.59 2cr9 s LYS 11 Ca 0.05 0.96 -0.00 0.00 0.00 0.00 0.00 55.97 56.97 2cr9 s LYS 11 Cb -0.01 0.24 0.01 0.00 0.00 0.00 0.00 37.83 38.07 2cr9 s LYS 11 CO -0.05 -0.11 0.01 1.03 0.00 0.00 0.00 175.35 176.24 2cr9 s ARG 12 N 0.90 -0.00 -0.32 1.78 3.00 -1.26 -5.11 118.95 117.95 2cr9 s ARG 12 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 55.73 55.67 2cr9 s ARG 12 Cb -0.05 -0.06 0.19 0.00 0.00 0.00 0.00 34.95 35.03 2cr9 s ARG 12 CO -0.09 -0.04 0.99 1.41 0.00 0.00 0.00 175.30 177.56 2cr9 s MET 13 N 0.27 0.23 -0.36 3.54 1.75 -1.26 -5.12 119.30 118.35 2cr9 s MET 13 Ca -0.02 0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.42 2cr9 s MET 13 Cb -0.03 0.06 0.07 0.00 2.84 0.00 0.00 34.83 37.77 2cr9 s MET 13 CO -0.01 -0.38 0.12 0.21 -0.65 0.00 0.00 175.02 174.32 2cr9 s LYS 14 N 2.44 2.37 0.20 4.11 2.20 -1.26 -5.08 119.74 124.71 2cr9 s LYS 14 Ca 0.20 -1.43 -0.27 0.00 -0.36 0.00 0.00 55.97 54.10 2cr9 s LYS 14 Cb -0.00 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 2cr9 s LYS 14 CO -0.18 -0.81 0.85 -0.51 -0.36 0.00 0.00 175.35 174.33 2cr9 s LEU 15 N 1.28 4.62 -0.05 5.43 2.01 -1.26 -4.53 118.68 126.18 2cr9 s LEU 15 Ca 0.01 1.78 -0.06 0.00 0.01 0.00 0.00 54.13 55.86 2cr9 s LEU 15 Cb -0.21 -3.43 0.01 0.00 0.01 0.00 0.00 46.19 42.57 2cr9 s LEU 15 CO -0.01 0.19 0.16 0.28 1.01 0.00 0.00 176.35 177.98 2cr9 s THR 16 N -1.16 0.02 -0.30 5.49 -1.32 -1.26 -5.00 115.64 112.10 2cr9 s THR 16 Ca 0.38 -0.14 -0.15 0.00 -1.21 0.00 0.00 61.69 60.57 2cr9 s THR 16 Cb -0.24 -0.28 0.18 0.00 -1.51 0.00 0.00 72.50 70.64 2cr9 s THR 16 CO 0.29 -0.08 1.11 -0.22 -2.21 0.00 0.00 174.62 173.51 2cr9 s LEU 17 N -0.21 -0.35 0.25 9.08 2.96 -1.26 -5.04 118.68 124.11 2cr9 s LEU 17 Ca -0.03 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2cr9 s LEU 17 Cb -0.02 1.34 0.00 0.00 0.50 0.00 0.00 46.19 48.00 2cr9 s LEU 17 CO 0.01 -0.07 0.00 1.17 -1.32 0.00 0.00 176.35 176.14 2cr9 n LYS 18 N 5.16 0.00 0.00 1.98 4.81 -1.26 -5.12 118.16 123.73 2cr9 n LYS 18 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2cr9 n LYS 18 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cr9 n GLY 19 N -1.34 2.04 0.00 3.14 0.00 -1.26 -5.16 105.19 102.61 2cr9 n GLY 19 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.12 3.78 -0.02 0.00 -1.26 -5.00 105.19 103.18 2cr9 n GLY 20 Ca 0.00 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 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 3.62 0.38 4.61 0.00 -1.26 -5.11 121.76 122.00 2cr9 s ALA 21 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.06 2cr9 s ALA 21 Cb 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 23.12 22.15 2cr9 s ALA 21 CO 0.00 0.03 0.78 0.00 0.00 0.00 0.00 175.76 176.56 2cr9 s ALA 22 N -2.38 3.30 0.25 0.00 0.00 -1.26 -4.18 121.76 117.49 2cr9 s ALA 22 Ca 0.39 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.34 2cr9 s ALA 22 Cb -0.04 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2cr9 s ALA 22 CO 0.24 0.13 0.39 0.08 0.00 0.00 0.00 175.76 176.60 2cr9 s VAL 23 N -2.21 5.23 0.17 0.00 1.01 -1.26 -4.78 120.40 118.56 2cr9 s VAL 23 Ca 0.54 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 2cr9 s VAL 23 Cb -0.10 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2cr9 s VAL 23 CO 0.24 -0.34 0.79 -1.81 0.00 0.00 0.00 175.10 173.98 2cr9 s ASP 24 N -3.87 7.41 0.49 3.32 1.01 -1.26 -4.84 116.67 118.93 2cr9 s ASP 24 Ca 0.35 1.67 0.28 0.00 0.71 0.00 0.00 52.55 55.57 2cr9 s ASP 24 Cb -0.09 -2.51 0.87 0.00 1.01 0.00 0.00 42.92 42.20 2cr9 s ASP 24 CO 0.30 0.20 1.80 1.55 0.21 0.00 0.00 175.17 179.24 2cr9 h PRO 25 N 4.29 0.00 0.00 8.23 0.13 -1.98 -2.56 132.00 140.11 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cr9 h PRO 25 CO 0.66 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.96 2cr9 n ASP 26 N -3.08 0.00 0.04 1.44 -0.08 -1.26 -2.69 116.55 110.93 2cr9 n ASP 26 Ca 0.02 0.43 -0.11 0.00 -1.51 0.00 0.00 54.79 53.62 2cr9 n ASP 26 Cb 0.41 -0.47 -0.13 0.00 2.34 0.00 0.00 41.12 43.26 2cr9 n ASP 26 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2cr9 h SER 27 N 0.00 0.16 0.00 1.67 4.64 -1.86 -3.48 113.55 114.69 2cr9 h SER 27 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2cr9 h SER 27 Cb 0.40 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2cr9 h SER 27 CO 0.00 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 2cr9 n GLY 28 N 1.53 2.50 1.47 -0.77 0.00 -1.09 -4.81 105.19 104.02 2cr9 n GLY 28 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 4.31 0.28 0.99 7.99 -1.26 -4.32 117.00 124.99 2cr9 n LEU 29 Ca 0.00 -2.16 0.14 0.00 -0.01 0.00 0.00 56.01 53.98 2cr9 n LEU 29 Cb 0.00 -0.53 0.87 0.00 -0.11 0.00 0.00 43.42 43.65 2cr9 n LEU 29 CO 0.00 0.90 1.12 1.05 -1.51 0.00 0.00 177.39 178.95 2cr9 h GLU 30 N 4.21 0.00 -0.01 3.23 4.11 -1.74 1.44 114.58 125.82 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 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2cr9 h GLU 30 CO 0.11 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.80 2cr9 n HIS 31 N -3.96 0.01 0.05 2.06 1.44 -1.26 -4.76 115.22 108.81 2cr9 n HIS 31 Ca -0.03 -0.61 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 2cr9 n HIS 31 Cb 0.10 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.14 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 -0.68 0.55 -4.89 4.39 2.88 -0.25 -5.09 113.62 110.53 2cr9 n SER 32 Ca 0.04 0.16 -0.21 0.00 -1.33 0.00 0.00 58.87 57.53 2cr9 n SER 32 Cb 0.34 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 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 3.92 0.17 -1.46 0.00 0.48 -3.75 121.76 119.12 2cr9 s ALA 33 Ca 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.45 2cr9 s ALA 33 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2cr9 s ALA 33 CO 0.00 0.03 -0.10 -3.38 0.00 0.00 0.00 175.76 172.32 2cr9 s HIS 34 N -2.24 1.40 -0.22 0.00 -3.43 0.35 -4.27 115.29 106.87 2cr9 s HIS 34 Ca 0.41 -0.75 -0.34 0.00 -0.80 0.00 0.00 55.06 53.58 2cr9 s HIS 34 Cb -0.07 -0.71 -0.11 0.00 -1.43 0.00 0.00 32.58 30.26 2cr9 s HIS 34 CO 0.28 0.12 2.05 0.28 -2.00 0.00 0.00 174.74 175.46 2cr9 n VAL 35 N -0.27 0.38 -1.69 -5.38 0.31 -1.26 0.17 118.33 110.59 2cr9 n VAL 35 Ca -0.09 -0.22 -0.56 0.00 -0.01 0.00 0.00 64.34 63.46 2cr9 n VAL 35 Cb 0.61 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 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 8.63 2.57 -4.40 7.52 0.00 0.67 -4.73 117.00 127.27 2cr9 n LEU 36 Ca 0.31 1.02 -0.33 0.00 0.00 0.00 0.00 56.01 57.01 2cr9 n LEU 36 Cb 0.28 -1.19 -0.14 0.00 0.00 0.00 0.00 43.42 42.38 2cr9 n LEU 36 CO 0.74 -0.37 -0.45 -1.61 0.00 0.00 0.00 177.39 175.70 2cr9 s GLU 37 N 3.83 3.12 -0.02 1.96 2.02 -1.26 -1.32 118.70 127.02 2cr9 s GLU 37 Ca 0.98 -0.69 -0.08 0.00 0.02 0.00 0.00 54.97 55.20 2cr9 s GLU 37 Cb -1.00 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 30.70 2cr9 s GLU 37 CO 0.63 0.34 0.18 0.21 0.02 0.00 0.00 175.26 176.63 2cr9 s LYS 38 N 0.03 0.43 -1.57 1.61 2.20 0.49 -4.90 119.74 118.03 2cr9 s LYS 38 Ca -0.04 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 2cr9 s LYS 38 Cb -0.14 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.37 2cr9 s LYS 38 CO 0.04 -0.10 0.04 0.41 -0.36 0.00 0.00 175.35 175.38 2cr9 n GLY 39 N 1.91 -0.14 3.58 5.54 0.00 -1.26 0.20 105.19 115.03 2cr9 n GLY 39 Ca -0.19 0.17 -0.27 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 -2.50 -0.49 2.93 -0.02 0.00 -1.26 -4.95 105.19 98.89 2cr9 n GLY 40 Ca -0.30 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 -6.26 0.71 -0.02 1.61 -0.14 0.55 -5.14 119.74 111.05 2cr9 s LYS 41 Ca 0.51 -0.16 -0.16 0.00 -1.36 0.00 0.00 55.97 54.80 2cr9 s LYS 41 Cb -0.26 -0.71 -0.05 0.00 -1.68 0.00 0.00 37.83 35.12 2cr9 s LYS 41 CO 0.63 0.01 0.45 0.08 -0.76 0.00 0.00 175.35 175.76 2cr9 s VAL 42 N 0.50 5.02 -1.27 3.17 1.01 -1.26 -0.38 120.40 127.19 2cr9 s VAL 42 Ca -0.06 0.93 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 2cr9 s VAL 42 Cb -0.10 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2cr9 s VAL 42 CO 0.00 0.51 2.88 0.49 0.00 0.00 0.00 175.10 178.98 2cr9 n PHE 43 N 2.29 2.12 -3.64 5.22 3.01 -0.44 -4.74 117.46 121.29 2cr9 n PHE 43 Ca -0.12 -2.76 -0.29 0.00 1.01 0.00 0.00 57.45 55.29 2cr9 n PHE 43 Cb 0.52 -2.14 -0.14 0.00 -0.01 0.00 0.00 39.48 37.71 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 1.55 3.70 -0.11 4.37 0.15 -1.26 -2.16 113.70 119.94 2cr9 s SER 44 Ca 0.65 -1.76 0.02 0.00 0.70 0.00 0.00 55.95 55.56 2cr9 s SER 44 Cb 0.21 -0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 63.83 2cr9 s SER 44 CO -0.07 -0.39 -0.19 0.00 1.20 0.00 0.00 173.24 173.79 2cr9 s ALA 45 N 1.49 2.36 -0.29 5.45 0.00 -1.00 -4.98 121.76 124.80 2cr9 s ALA 45 Ca 0.12 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 2cr9 s ALA 45 Cb -0.19 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2cr9 s ALA 45 CO -0.21 0.29 0.12 0.99 0.00 0.00 0.00 175.76 176.94 2cr9 s THR 46 N 0.29 4.44 0.37 0.00 2.01 -1.26 -0.35 115.64 121.13 2cr9 s THR 46 Ca -0.14 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.55 2cr9 s THR 46 Cb -0.17 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 2cr9 s THR 46 CO 0.07 0.16 0.53 -0.76 -0.69 0.00 0.00 174.62 173.94 2cr9 s LEU 47 N 1.60 3.86 -0.28 4.42 1.02 0.49 -1.22 118.68 128.57 2cr9 s LEU 47 Ca 0.05 -0.07 -0.17 0.00 0.02 0.00 0.00 54.13 53.96 2cr9 s LEU 47 Cb -0.16 -2.86 0.11 0.00 0.02 0.00 0.00 46.19 43.29 2cr9 s LEU 47 CO 0.05 -0.53 0.81 -0.83 0.02 0.00 0.00 176.35 175.87 2cr9 s GLY 48 N -4.20 -0.38 -0.05 -3.19 0.00 0.92 -2.07 107.32 98.36 2cr9 s GLY 48 Ca 0.46 2.67 -0.03 0.00 0.00 0.00 0.00 44.72 47.83 2cr9 s GLY 48 CO 0.33 2.40 0.12 -2.27 0.00 0.00 0.00 173.10 173.69 2cr9 s LEU 49 N 1.37 1.16 -0.03 0.66 2.96 0.97 -3.13 118.68 122.63 2cr9 s LEU 49 Ca -0.08 0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2cr9 s LEU 49 Cb -0.04 0.36 0.03 0.00 0.50 0.00 0.00 46.19 47.03 2cr9 s LEU 49 CO -0.16 -0.09 0.05 0.54 -1.32 0.00 0.00 176.35 175.36 2cr9 s VAL 50 N 0.61 -0.06 0.25 1.68 0.11 -1.26 0.27 120.40 121.99 2cr9 s VAL 50 Ca -0.05 0.33 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 2cr9 s VAL 50 Cb -0.06 -0.15 -0.09 0.00 -1.53 0.00 0.00 36.38 34.55 2cr9 s VAL 50 CO -0.03 0.15 0.99 -0.62 -3.33 0.00 0.00 175.10 172.26 2cr9 s ASP 51 N 1.77 7.53 0.04 3.54 -1.08 0.40 -4.92 116.67 123.95 2cr9 s ASP 51 Ca -0.00 2.04 0.02 0.00 -0.52 0.00 0.00 52.55 54.09 2cr9 s ASP 51 Cb -0.12 -2.61 -0.25 0.00 -1.46 0.00 0.00 42.92 38.47 2cr9 s ASP 51 CO -0.03 0.07 1.00 -0.29 0.52 0.00 0.00 175.17 176.44 2cr9 h ILE 52 N 3.15 1.33 0.00 4.11 2.10 -1.94 -1.51 117.51 124.75 2cr9 h ILE 52 Ca -0.45 -3.01 0.00 0.00 1.08 0.00 0.00 64.86 62.47 2cr9 h ILE 52 Cb 1.20 2.76 0.00 0.00 -1.09 0.00 0.00 36.82 39.70 2cr9 h ILE 52 CO 0.68 0.83 -0.10 0.58 -1.08 0.00 0.00 178.15 179.05 2cr9 h VAL 53 N 0.04 0.00 0.00 2.19 2.07 -1.98 -3.32 116.25 115.25 2cr9 h VAL 53 Ca -0.16 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2cr9 h VAL 53 Cb 1.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2cr9 h VAL 53 CO 0.15 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.85 2cr9 h LYS 54 N -0.76 0.00 -2.66 1.57 1.79 -1.99 -3.45 116.57 111.08 2cr9 h LYS 54 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 2cr9 h LYS 54 Cb 0.10 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 2cr9 h LYS 54 CO 0.00 0.00 -0.37 0.41 -1.08 0.00 0.00 179.45 178.41 2cr9 n GLY 55 N -0.84 0.24 3.66 3.86 0.00 -0.57 -4.93 105.19 106.62 2cr9 n GLY 55 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.63 5.35 -0.18 2.61 -4.23 -1.19 -4.85 115.64 110.52 2cr9 s THR 56 Ca 0.00 0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 2cr9 s THR 56 Cb 0.00 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 2cr9 s THR 56 CO 0.00 0.34 0.21 0.20 -0.54 0.00 0.00 174.62 174.83 2cr9 s ASN 57 N 1.03 6.33 0.14 3.99 -0.87 -1.26 -0.45 114.94 123.85 2cr9 s ASN 57 Ca 0.09 0.38 0.06 0.00 -1.57 0.00 0.00 52.86 51.82 2cr9 s ASN 57 Cb -0.14 -2.14 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 2cr9 s ASN 57 CO 0.05 0.15 -0.14 -0.44 -2.57 0.00 0.00 177.10 174.15 2cr9 s SER 58 N 0.35 2.09 -0.11 -1.22 0.01 0.75 -2.44 113.70 113.13 2cr9 s SER 58 Ca 0.13 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 2cr9 s SER 58 Cb -0.12 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.08 2cr9 s SER 58 CO 0.01 -0.16 0.24 -0.72 0.41 0.00 0.00 173.24 173.02 2cr9 s TYR 59 N -2.39 -0.33 -0.24 2.43 1.13 -1.04 -0.02 117.35 116.89 2cr9 s TYR 59 Ca 0.12 0.80 -0.01 0.00 -1.41 0.00 0.00 57.07 56.56 2cr9 s TYR 59 Cb -0.03 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2cr9 s TYR 59 CO 0.03 -0.25 -0.07 -0.47 -2.51 0.00 0.00 175.55 172.28 2cr9 s TYR 60 N 1.40 3.04 -0.17 -3.49 5.04 -0.88 -3.42 117.35 118.88 2cr9 s TYR 60 Ca -0.08 -1.53 -0.08 0.00 -2.44 0.00 0.00 57.07 52.94 2cr9 s TYR 60 Cb -0.11 -2.05 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 2cr9 s TYR 60 CO -0.08 -0.73 0.12 0.15 -1.34 0.00 0.00 175.55 173.67 2cr9 s LYS 61 N 1.33 3.86 -0.05 4.97 -0.14 -1.04 0.19 119.74 128.85 2cr9 s LYS 61 Ca 0.01 -0.22 0.05 0.00 -1.36 0.00 0.00 55.97 54.45 2cr9 s LYS 61 Cb -0.16 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.69 2cr9 s LYS 61 CO -0.05 0.47 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.29 2cr9 s LEU 62 N -0.14 2.38 -0.29 3.17 1.43 0.52 -2.12 118.68 123.64 2cr9 s LEU 62 Ca 0.10 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2cr9 s LEU 62 Cb -0.12 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.76 2cr9 s LEU 62 CO 0.00 0.30 0.66 -1.10 0.23 0.00 0.00 176.35 176.45 2cr9 s GLN 63 N -0.46 0.63 -0.41 1.70 -0.21 -1.13 -2.37 119.66 117.41 2cr9 s GLN 63 Ca 0.05 1.35 -0.05 0.00 0.02 0.00 0.00 55.36 56.73 2cr9 s GLN 63 Cb -0.12 0.55 0.10 0.00 1.00 0.00 0.00 33.01 34.54 2cr9 s GLN 63 CO 0.01 -0.18 0.22 -1.17 -2.12 0.00 0.00 175.29 172.05 2cr9 s LEU 64 N 2.34 5.15 0.03 2.90 2.96 -0.92 -1.98 118.68 129.16 2cr9 s LEU 64 Ca -0.08 -1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 51.72 2cr9 s LEU 64 Cb -0.09 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2cr9 s LEU 64 CO -0.19 -0.54 1.05 -0.76 -1.32 0.00 0.00 176.35 174.60 2cr9 s LEU 65 N 1.25 4.37 0.01 -0.68 1.43 -1.23 0.24 118.68 124.08 2cr9 s LEU 65 Ca 0.05 1.79 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 2cr9 s LEU 65 Cb -0.23 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 2cr9 s LEU 65 CO -0.02 -0.32 -0.14 -1.83 0.23 0.00 0.00 176.35 174.27 2cr9 s GLU 66 N 0.98 2.31 0.55 1.70 -1.05 0.45 -2.86 118.70 120.78 2cr9 s GLU 66 Ca 0.54 -0.84 -0.21 0.00 -0.15 0.00 0.00 54.97 54.31 2cr9 s GLU 66 Cb -0.24 -2.32 -0.05 0.00 -0.44 0.00 0.00 34.13 31.08 2cr9 s GLU 66 CO 0.29 0.58 1.31 -3.47 0.95 0.00 0.00 175.26 174.91 2cr9 n ASP 67 N 1.71 2.45 -0.30 0.83 2.03 -1.18 -0.49 116.55 121.59 2cr9 n ASP 67 Ca -0.16 0.96 0.18 0.00 0.52 0.00 0.00 54.79 56.29 2cr9 n ASP 67 Cb 0.52 -1.55 0.35 0.00 -0.72 0.00 0.00 41.12 39.72 2cr9 n ASP 67 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2cr9 n ASP 68 N -1.00 0.03 0.00 1.67 9.92 -1.25 -3.84 116.55 122.08 2cr9 n ASP 68 Ca 0.11 1.51 0.00 0.00 -0.53 0.00 0.00 54.79 55.88 2cr9 n ASP 68 Cb 0.45 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cr9 n LYS 69 N -5.22 0.00 0.00 -1.24 4.76 -1.26 -5.02 118.16 110.18 2cr9 n LYS 69 Ca 0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2cr9 n LYS 69 Cb 0.84 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.95 2cr9 n LYS 69 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2cr9 n GLU 70 N -2.01 0.00 0.03 1.97 0.28 -1.25 -5.07 120.64 114.59 2cr9 n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2cr9 n GLU 70 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cr9 n ASN 71 N 0.00 0.03 -3.81 -1.84 4.13 -1.26 -5.06 115.26 107.45 2cr9 n ASN 71 Ca 0.00 0.10 -0.12 0.00 1.68 0.00 0.00 54.58 56.23 2cr9 n ASN 71 Cb 0.00 0.05 -0.10 0.00 -1.54 0.00 0.00 39.78 38.20 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2cr9 s ARG 72 N -2.00 0.52 0.25 3.52 3.52 -1.26 -4.87 118.95 118.64 2cr9 s ARG 72 Ca 0.00 -0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.45 2cr9 s ARG 72 Cb 0.00 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 2cr9 s ARG 72 CO 0.00 -0.13 -0.02 0.71 -0.81 0.00 0.00 175.30 175.05 2cr9 s TYR 73 N -1.11 1.71 0.25 5.12 1.51 -1.18 -3.09 117.35 120.56 2cr9 s TYR 73 Ca -0.12 -0.85 0.02 0.00 -1.01 0.00 0.00 57.07 55.12 2cr9 s TYR 73 Cb -0.06 -1.00 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 2cr9 s TYR 73 CO 0.02 0.07 0.06 -1.58 -1.11 0.00 0.00 175.55 173.01 2cr9 s TRP 74 N -3.27 1.57 -0.30 2.71 0.51 -1.14 0.16 118.94 119.18 2cr9 s TRP 74 Ca 0.29 -1.07 -0.00 0.00 -2.12 0.00 0.00 56.10 53.20 2cr9 s TRP 74 Cb 0.05 -0.93 0.09 0.00 -0.81 0.00 0.00 33.47 31.87 2cr9 s TRP 74 CO 0.10 -0.20 0.07 0.42 -0.51 0.00 0.00 176.95 176.83 2cr9 s ILE 75 N -3.60 1.09 -0.14 2.03 -1.09 -0.26 -3.57 121.20 115.66 2cr9 s ILE 75 Ca 0.34 -1.43 -0.20 0.00 -2.23 0.00 0.00 60.65 57.12 2cr9 s ILE 75 Cb 0.07 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 39.16 2cr9 s ILE 75 CO 0.12 -0.58 0.57 0.12 -1.23 0.00 0.00 174.94 173.94 2cr9 s PHE 76 N 1.52 3.47 -0.12 3.97 5.36 -0.84 -2.55 117.98 128.80 2cr9 s PHE 76 Ca 0.08 0.97 -0.03 0.00 -0.96 0.00 0.00 56.93 56.98 2cr9 s PHE 76 Cb -0.18 -2.69 0.05 0.00 -0.34 0.00 0.00 43.02 39.86 2cr9 s PHE 76 CO -0.20 0.02 0.06 1.03 -1.46 0.00 0.00 175.22 174.67 2cr9 s ARG 77 N 1.14 0.24 0.17 10.12 0.52 -0.51 -2.86 118.95 127.77 2cr9 s ARG 77 Ca 0.29 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.56 2cr9 s ARG 77 Cb -0.16 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 2cr9 s ARG 77 CO 0.12 -0.51 0.15 -1.54 0.02 0.00 0.00 175.30 173.54 2cr9 s SER 78 N 2.06 5.57 -0.13 0.23 1.04 -0.90 -0.48 113.70 121.10 2cr9 s SER 78 Ca 0.03 -0.12 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 2cr9 s SER 78 Cb -0.14 -1.47 0.12 0.00 0.10 0.00 0.00 66.02 64.63 2cr9 s SER 78 CO -0.07 0.06 0.96 -1.66 0.98 0.00 0.00 173.24 173.52 2cr9 s TRP 79 N -1.77 -0.38 -4.85 5.02 -2.14 0.12 -2.50 118.94 112.44 2cr9 s TRP 79 Ca 0.31 0.58 0.00 0.00 2.66 0.00 0.00 56.10 59.65 2cr9 s TRP 79 Cb -0.10 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 30.73 2cr9 s TRP 79 CO 0.24 -0.39 0.00 0.41 -2.66 0.00 0.00 176.95 174.55 2cr9 n GLY 80 N 0.56 -0.82 3.95 3.67 0.00 -1.22 -1.98 105.19 109.35 2cr9 n GLY 80 Ca -0.10 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.94 3.34 -0.01 1.61 0.52 -1.26 -2.50 118.95 118.71 2cr9 s ARG 81 Ca 0.00 -0.43 -0.17 0.00 -0.52 0.00 0.00 55.73 54.61 2cr9 s ARG 81 Cb 0.00 -2.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.77 2cr9 s ARG 81 CO 0.00 0.03 0.47 0.08 0.02 0.00 0.00 175.30 175.90 2cr9 s VAL 82 N -2.37 5.00 -1.11 3.52 1.01 -1.02 -4.23 120.40 121.19 2cr9 s VAL 82 Ca 0.43 0.97 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 2cr9 s VAL 82 Cb -0.10 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2cr9 s VAL 82 CO 0.36 0.50 0.94 0.61 0.00 0.00 0.00 175.10 177.51 2cr9 n GLY 83 N 2.20 -0.57 3.35 4.51 0.00 -1.26 -4.94 105.19 108.48 2cr9 n GLY 83 Ca -0.11 0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2cr9 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 84 N -3.36 0.00 -0.19 2.61 -4.23 -1.26 -5.05 115.64 104.17 2cr9 s THR 84 Ca 0.14 -1.85 0.22 0.00 -1.18 0.00 0.00 61.69 59.02 2cr9 s THR 84 Cb -0.02 -2.55 -0.29 0.00 1.34 0.00 0.00 72.50 70.99 2cr9 s THR 84 CO 0.70 0.00 0.61 1.33 -0.54 0.00 0.00 174.62 176.72 2cr9 n VAL 85 N -0.57 0.06 -2.05 2.29 0.24 -1.26 -4.90 118.33 112.13 2cr9 n VAL 85 Ca 0.05 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 2cr9 n VAL 85 Cb 0.62 0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2cr9 s ILE 86 N -3.43 3.57 -0.24 1.34 1.01 -1.26 -4.97 121.20 117.21 2cr9 s ILE 86 Ca -0.05 0.78 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 2cr9 s ILE 86 Cb 0.14 -3.50 0.08 0.00 0.01 0.00 0.00 42.46 39.18 2cr9 s ILE 86 CO 0.89 -0.05 0.05 -0.83 0.00 0.00 0.00 174.94 175.00 2cr9 s GLY 87 N 2.91 0.88 -0.19 6.18 0.00 -1.26 -4.34 107.32 111.49 2cr9 s GLY 87 Ca 0.71 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 2cr9 s GLY 87 CO 0.28 1.47 -0.02 -0.56 0.00 0.00 0.00 173.10 174.27 2cr9 s SER 88 N 1.74 4.65 0.30 1.64 0.01 -0.84 -5.04 113.70 116.16 2cr9 s SER 88 Ca 0.03 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.08 2cr9 s SER 88 Cb -0.17 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 2cr9 s SER 88 CO -0.15 0.07 0.18 0.54 0.41 0.00 0.00 173.24 174.29 2cr9 s ASN 89 N 0.97 1.42 -0.15 2.44 2.20 -1.26 0.15 114.94 120.71 2cr9 s ASN 89 Ca 0.01 -1.58 -0.12 0.00 -0.94 0.00 0.00 52.86 50.23 2cr9 s ASN 89 Cb -0.14 0.43 0.04 0.00 -2.00 0.00 0.00 41.25 39.58 2cr9 s ASN 89 CO 0.01 -0.92 0.38 -0.75 -2.94 0.00 0.00 177.10 172.89 2cr9 s LYS 90 N -3.78 0.42 -0.24 3.55 2.20 0.37 -4.96 119.74 117.31 2cr9 s LYS 90 Ca 0.37 0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2cr9 s LYS 90 Cb 0.05 0.12 0.07 0.00 -1.51 0.00 0.00 37.83 36.56 2cr9 s LYS 90 CO 0.19 -0.09 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.91 2cr9 s LEU 91 N 0.64 2.22 0.16 5.43 2.96 -1.26 -1.43 118.68 127.40 2cr9 s LEU 91 Ca -0.04 -1.17 0.05 0.00 -0.22 0.00 0.00 54.13 52.75 2cr9 s LEU 91 Cb -0.05 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2cr9 s LEU 91 CO -0.04 -0.28 0.11 -1.61 -1.32 0.00 0.00 176.35 173.21 2cr9 s GLU 92 N 1.53 2.82 -0.27 1.98 2.02 -1.06 -4.92 118.70 120.81 2cr9 s GLU 92 Ca -0.02 -0.90 -0.10 0.00 0.02 0.00 0.00 54.97 53.98 2cr9 s GLU 92 Cb -0.18 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 2cr9 s GLU 92 CO -0.09 0.48 0.15 -0.65 0.02 0.00 0.00 175.26 175.17 2cr9 s GLN 93 N -3.03 3.81 0.05 1.61 -0.21 -1.26 -1.10 119.66 119.53 2cr9 s GLN 93 Ca 0.30 -0.40 -0.16 0.00 0.02 0.00 0.00 55.36 55.12 2cr9 s GLN 93 Cb -0.10 -3.55 -0.06 0.00 1.00 0.00 0.00 33.01 30.30 2cr9 s GLN 93 CO 0.23 -0.20 0.48 -1.64 -2.12 0.00 0.00 175.29 172.04 2cr9 s MET 94 N 1.71 4.02 -0.07 2.91 -1.94 0.43 -4.96 119.30 121.40 2cr9 s MET 94 Ca 0.07 0.53 -0.27 0.00 -1.71 0.00 0.00 55.69 54.31 2cr9 s MET 94 Cb -0.16 -3.19 -0.23 0.00 2.01 0.00 0.00 34.83 33.26 2cr9 s MET 94 CO 0.08 0.65 1.03 -1.00 -0.01 0.00 0.00 175.02 175.77 2cr9 h PRO 95 N 4.49 0.04 -5.67 2.03 0.13 -1.94 -3.11 132.00 127.97 2cr9 h PRO 95 Ca -0.50 -0.04 -0.58 0.00 -0.87 0.00 0.00 66.00 64.00 2cr9 h PRO 95 Cb 1.21 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 2cr9 h PRO 95 CO 0.63 0.78 -0.64 0.45 -0.23 0.00 0.00 178.00 178.99 2cr9 s SER 96 N -6.03 3.42 0.19 1.44 0.15 -1.26 -4.74 113.70 106.86 2cr9 s SER 96 Ca -0.17 -1.28 -0.10 0.00 0.70 0.00 0.00 55.95 55.10 2cr9 s SER 96 Cb -0.00 -0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.11 2cr9 s SER 96 CO 0.70 -0.36 1.73 0.50 1.20 0.00 0.00 173.24 177.01 2cr9 h LYS 97 N 2.00 1.00 0.63 5.44 3.64 -1.92 -2.62 116.57 124.75 2cr9 h LYS 97 Ca -0.42 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 58.73 2cr9 h LYS 97 Cb 1.24 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2cr9 h LYS 97 CO 0.73 0.85 -0.30 0.93 -2.27 0.00 0.00 179.45 179.39 2cr9 h GLU 98 N 0.94 -0.82 -1.03 1.90 5.08 -1.98 -0.02 114.58 118.64 2cr9 h GLU 98 Ca 0.22 0.06 0.30 0.00 -1.00 0.00 0.00 59.36 58.93 2cr9 h GLU 98 Cb 0.24 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2cr9 h GLU 98 CO -0.01 -0.54 0.87 -0.44 -1.00 0.00 0.00 179.01 177.88 2cr9 h ASP 99 N -0.87 0.00 0.03 1.42 3.32 -1.95 0.88 116.42 119.25 2cr9 h ASP 99 Ca -0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2cr9 h ASP 99 Cb 0.66 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.22 2cr9 h ASP 99 CO 0.14 0.00 -0.30 0.00 -1.72 0.00 0.00 179.24 177.36 2cr9 h ALA 100 N 1.24 0.00 -0.04 3.45 0.00 -0.90 -2.75 119.26 120.25 2cr9 h ALA 100 Ca 0.49 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cr9 h ALA 100 Cb 2.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.03 2cr9 h ALA 100 CO -0.01 0.12 0.01 0.82 0.00 0.00 0.00 179.25 180.20 2cr9 h ILE 101 N -0.59 0.99 -0.60 0.00 2.04 0.23 0.05 117.51 119.63 2cr9 h ILE 101 Ca -0.04 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2cr9 h ILE 101 Cb 1.13 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 2cr9 h ILE 101 CO 0.06 0.01 0.13 -0.33 0.00 0.00 0.00 178.15 178.01 2cr9 h GLU 102 N 0.03 0.26 0.68 2.37 5.08 -0.14 1.41 114.58 124.26 2cr9 h GLU 102 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2cr9 h GLU 102 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2cr9 h GLU 102 CO -0.02 0.17 -0.34 1.25 -1.00 0.00 0.00 179.01 179.06 2cr9 h HIS 103 N 0.26 -0.89 0.00 4.33 2.76 -1.12 0.74 115.15 121.23 2cr9 h HIS 103 Ca 0.31 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2cr9 h HIS 103 Cb 0.46 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 2cr9 h HIS 103 CO -0.24 -0.55 -0.02 0.35 -1.30 0.00 0.00 177.93 176.17 2cr9 h PHE 104 N -0.94 0.00 0.03 5.26 3.57 -0.27 1.59 116.94 126.19 2cr9 h PHE 104 Ca -0.09 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.19 2cr9 h PHE 104 Cb 0.73 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.49 2cr9 h PHE 104 CO -0.04 0.02 -0.87 0.52 -2.23 0.00 0.00 178.31 175.71 2cr9 h MET 105 N 0.00 0.53 0.03 1.11 2.86 0.25 -2.81 114.93 116.91 2cr9 h MET 105 Ca -0.00 -0.62 -0.06 0.00 -2.06 0.00 0.00 59.70 56.96 2cr9 h MET 105 Cb 0.03 0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.88 2cr9 h MET 105 CO 0.00 1.23 -0.26 -0.22 1.06 0.00 0.00 176.91 178.72 2cr9 h LYS 106 N 0.10 0.12 -0.43 1.72 3.64 0.12 -3.21 116.57 118.64 2cr9 h LYS 106 Ca -0.12 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.16 2cr9 h LYS 106 Cb 1.56 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 33.35 2cr9 h LYS 106 CO 0.17 1.01 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.84 2cr9 h LEU 107 N -0.68 -1.51 -1.91 5.20 -0.00 0.22 1.53 115.31 118.16 2cr9 h LEU 107 Ca -0.04 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 2cr9 h LEU 107 Cb 1.13 0.65 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 2cr9 h LEU 107 CO 0.05 -0.37 0.22 0.22 -0.00 0.00 0.00 178.44 178.56 2cr9 h TYR 108 N -0.33 0.00 0.00 1.13 3.20 -1.61 0.79 116.97 120.15 2cr9 h TYR 108 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2cr9 h TYR 108 Cb 0.58 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2cr9 h TYR 108 CO -0.65 0.00 -1.53 -1.91 -1.64 0.00 0.00 178.16 172.43 2cr9 n GLU 109 N -2.69 0.63 0.19 1.82 2.13 0.46 -3.28 120.64 119.91 2cr9 n GLU 109 Ca -0.02 -0.04 0.05 0.00 0.66 0.00 0.00 57.16 57.81 2cr9 n GLU 109 Cb 0.27 -1.67 0.38 0.00 0.27 0.00 0.00 31.44 30.69 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 0.00 0.00 5.31 4.11 0.64 0.94 114.58 125.58 2cr9 h GLU 110 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 110 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2cr9 h GLU 110 CO 0.00 0.36 -0.23 0.87 0.07 0.00 0.00 179.01 180.08 2cr9 h LYS 111 N 0.00 0.00 -0.67 1.06 1.79 -1.63 -3.40 116.57 113.71 2cr9 h LYS 111 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2cr9 h LYS 111 Cb 0.79 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 2cr9 h LYS 111 CO 0.05 0.00 0.29 1.79 -1.08 0.00 0.00 179.45 180.50 2cr9 h THR 112 N -0.50 1.23 0.00 -0.16 1.35 -1.66 -2.80 112.91 110.38 2cr9 h THR 112 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2cr9 h THR 112 Cb 0.23 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2cr9 h THR 112 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2cr9 n GLY 113 N -0.90 2.57 3.93 5.82 0.00 0.33 -4.47 105.19 112.47 2cr9 n GLY 113 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.40 5.76 0.64 1.61 0.01 -1.23 -4.88 114.94 115.45 2cr9 s ASN 114 Ca 0.00 -0.26 -0.15 0.00 -0.71 0.00 0.00 52.86 51.74 2cr9 s ASN 114 Cb 0.00 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.40 2cr9 s ASN 114 CO 0.00 -0.32 1.09 0.00 -1.51 0.00 0.00 177.10 176.36 2cr9 s ALA 115 N -2.19 2.56 0.02 0.60 0.00 -1.26 -3.73 121.76 117.76 2cr9 s ALA 115 Ca 0.41 0.48 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 2cr9 s ALA 115 Cb -0.08 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 2cr9 s ALA 115 CO 0.29 -1.14 1.20 2.35 0.00 0.00 0.00 175.76 178.46 2cr9 h TRP 116 N 0.10 -0.89 0.08 0.00 2.91 -1.90 -3.26 115.95 112.99 2cr9 h TRP 116 Ca -0.47 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.53 2cr9 h TRP 116 Cb 1.24 0.30 0.00 0.00 -0.51 0.00 0.00 29.16 30.18 2cr9 h TRP 116 CO 0.56 -0.56 -0.04 0.45 -1.03 0.00 0.00 178.44 177.83 2cr9 h HIS 117 N -1.14 -0.10 -0.04 2.65 3.86 -1.93 -3.42 115.15 115.02 2cr9 h HIS 117 Ca -0.10 -0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.38 2cr9 h HIS 117 Cb 0.74 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.21 2cr9 h HIS 117 CO 0.02 0.07 1.22 0.43 0.86 0.00 0.00 177.93 180.53 2cr9 n SER 118 N -5.07 0.72 -2.79 2.45 7.64 -1.23 -4.88 113.62 110.46 2cr9 n SER 118 Ca -0.08 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2cr9 n SER 118 Cb 0.13 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2cr9 n SER 118 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cr9 n LYS 119 N 6.91 -0.25 -2.61 1.43 5.02 -1.26 -4.57 118.16 122.83 2cr9 n LYS 119 Ca 0.51 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.76 2cr9 n LYS 119 Cb -0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.94 2cr9 n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cr9 n ASN 120 N -1.99 -2.64 -4.56 4.39 4.13 -1.26 -4.96 115.26 108.37 2cr9 n ASN 120 Ca 0.00 1.38 -0.35 0.00 1.68 0.00 0.00 54.58 57.29 2cr9 n ASN 120 Cb 0.00 -4.69 -0.11 0.00 -1.54 0.00 0.00 39.78 33.45 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 -0.55 3.18 -0.24 3.10 5.36 -1.26 -5.02 117.98 122.55 2cr9 s PHE 121 Ca -0.20 -0.10 -0.05 0.00 -0.96 0.00 0.00 56.93 55.62 2cr9 s PHE 121 Cb 0.01 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 40.56 2cr9 s PHE 121 CO 0.55 -0.03 -0.01 0.99 -1.46 0.00 0.00 175.22 175.27 2cr9 s THR 122 N 0.79 3.56 -0.80 0.12 2.01 -1.26 -5.03 115.64 115.02 2cr9 s THR 122 Ca 0.03 -0.50 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 2cr9 s THR 122 Cb -0.14 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 2cr9 s THR 122 CO 0.02 0.35 1.99 -0.75 -0.69 0.00 0.00 174.62 175.54 2cr9 s LYS 123 N 1.49 2.46 0.59 4.92 2.36 -1.26 -4.94 119.74 125.37 2cr9 s LYS 123 Ca 0.05 0.07 -0.03 0.00 -2.55 0.00 0.00 55.97 53.51 2cr9 s LYS 123 Cb -0.15 -4.85 0.03 0.00 -1.05 0.00 0.00 37.83 31.81 2cr9 s LYS 123 CO -0.02 -3.32 0.86 0.71 1.55 0.00 0.00 175.35 175.14 2cr9 s TYR 124 N 10.37 3.02 -0.16 4.03 2.02 -1.26 -5.03 117.35 130.35 2cr9 s TYR 124 Ca 0.73 0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 57.45 2cr9 s TYR 124 Cb -0.09 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 2cr9 s TYR 124 CO 0.06 -0.96 1.27 -1.25 -1.57 0.00 0.00 175.55 173.11 2cr9 s PRO 125 N -4.94 4.23 0.00 -1.71 0.04 -1.26 -3.05 135.00 128.32 2cr9 s PRO 125 Ca 0.56 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2cr9 s PRO 125 Cb -0.10 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2cr9 s PRO 125 CO 0.42 -0.70 0.00 1.63 0.04 0.00 0.00 177.00 178.39 2cr9 n LYS 126 N 6.57 0.00 -1.62 4.56 5.02 -1.26 -4.98 118.16 126.45 2cr9 n LYS 126 Ca 0.14 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 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 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 1.57 -1.76 1.97 4.76 -1.17 -4.94 118.16 118.59 2cr9 n LYS 127 Ca 0.00 0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 55.69 2cr9 n LYS 127 Cb 0.00 -2.15 0.03 0.00 -1.84 0.00 0.00 35.03 31.06 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 0.03 3.43 0.13 2.13 0.40 -1.06 -4.67 117.98 118.38 2cr9 s PHE 128 Ca 0.73 1.33 0.00 0.00 -0.60 0.00 0.00 56.93 58.39 2cr9 s PHE 128 Cb -0.77 -2.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.92 2cr9 s PHE 128 CO 0.49 -0.91 0.02 1.52 0.70 0.00 0.00 175.22 177.04 2cr9 s TYR 129 N -3.14 0.95 -0.21 0.36 -0.85 -1.18 -4.08 117.35 109.21 2cr9 s TYR 129 Ca 0.56 -1.11 -0.29 0.00 -0.52 0.00 0.00 57.07 55.71 2cr9 s TYR 129 Cb -0.12 -0.55 -0.01 0.00 0.38 0.00 0.00 41.96 41.66 2cr9 s TYR 129 CO 0.54 -0.36 1.30 -1.25 -1.52 0.00 0.00 175.55 174.27 2cr9 s PRO 130 N -3.97 4.12 0.03 -3.49 0.04 -1.26 -0.06 135.00 130.42 2cr9 s PRO 130 Ca 0.21 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 2cr9 s PRO 130 Cb 0.07 -3.82 -0.17 0.00 0.04 0.00 0.00 34.50 30.62 2cr9 s PRO 130 CO 0.01 -0.86 1.37 -0.07 0.04 0.00 0.00 177.00 177.49 2cr9 h LEU 131 N 10.17 -0.55 -8.92 -3.56 3.38 -1.43 -3.42 115.31 110.98 2cr9 h LEU 131 Ca -0.27 -0.06 -0.63 0.00 0.09 0.00 0.00 57.88 57.01 2cr9 h LEU 131 Cb 1.11 0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.81 2cr9 h LEU 131 CO 0.99 -0.25 -0.60 -0.70 0.09 0.00 0.00 178.44 177.97 2cr9 s GLU 132 N -5.22 3.83 0.30 1.13 2.12 -1.26 -5.10 118.70 114.50 2cr9 s GLU 132 Ca -0.15 -0.41 0.11 0.00 0.36 0.00 0.00 54.97 54.87 2cr9 s GLU 132 Cb 0.03 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2cr9 s GLU 132 CO 0.56 0.13 -0.16 0.42 -0.54 0.00 0.00 175.26 175.67 2cr9 s ILE 133 N 0.73 2.43 -0.27 -3.70 1.09 -1.26 -4.86 121.20 115.37 2cr9 s ILE 133 Ca 0.02 -2.32 -0.20 0.00 -1.10 0.00 0.00 60.65 57.05 2cr9 s ILE 133 Cb -0.14 -2.43 0.07 0.00 -1.06 0.00 0.00 42.46 38.91 2cr9 s ILE 133 CO 0.02 -0.33 0.70 -0.55 -0.10 0.00 0.00 174.94 174.68 2cr9 s SER 134 N -3.55 -0.84 -0.10 3.58 0.15 -1.26 -5.16 113.70 106.51 2cr9 s SER 134 Ca 0.31 1.47 -0.01 0.00 0.70 0.00 0.00 55.95 58.43 2cr9 s SER 134 Cb -0.03 1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 65.68 2cr9 s SER 134 CO 0.16 -0.24 -0.07 -0.83 1.20 0.00 0.00 173.24 173.45 2cr9 s GLY 135 N 1.01 1.68 0.06 9.45 0.00 -1.26 -5.12 107.32 113.14 2cr9 s GLY 135 Ca -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.79 2cr9 s GLY 135 CO -0.09 -0.44 0.07 -1.55 0.00 0.00 0.00 173.10 171.09 2cr9 n PRO 136 N 2.76 -0.60 -3.69 2.90 -0.04 -1.26 -5.10 135.00 129.97 2cr9 n PRO 136 Ca -0.18 -0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.06 2cr9 n PRO 136 Cb 0.53 -0.09 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 2cr9 n PRO 136 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr9 s SER 137 N -1.48 -0.59 -0.56 3.54 0.15 -1.26 -5.09 113.70 108.42 2cr9 s SER 137 Ca 0.04 1.03 -0.32 0.00 0.70 0.00 0.00 55.95 57.40 2cr9 s SER 137 Cb -0.00 0.95 -0.13 0.00 -1.71 0.00 0.00 66.02 65.13 2cr9 s SER 137 CO 0.03 -0.19 2.38 -0.24 1.20 0.00 0.00 173.24 176.42 2cr9 n SER 138 N 3.81 1.67 0.00 5.45 2.88 -1.26 -5.38 113.62 120.79 2cr9 n SER 138 Ca -0.20 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2cr9 n SER 138 Cb 0.56 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42