#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 n SER 2 N 0.00 1.78 -2.32 1.61 2.88 -1.26 -4.72 113.62 111.59 2cr0 n SER 2 Ca 0.00 0.29 -0.31 0.00 -1.33 0.00 0.00 58.87 57.53 2cr0 n SER 2 Cb 0.00 -0.66 0.04 0.00 -0.75 0.00 0.00 64.21 62.84 2cr0 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr0 n SER 3 N -4.27 6.26 -1.41 -3.46 2.88 -1.26 -4.87 113.62 107.49 2cr0 n SER 3 Ca -0.12 -3.77 -0.01 0.00 -1.33 0.00 0.00 58.87 53.63 2cr0 n SER 3 Cb 0.43 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.21 2cr0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr0 n GLY 4 N -0.73 0.53 3.76 0.46 0.00 -1.26 -3.96 105.19 103.99 2cr0 n GLY 4 Ca 0.52 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2cr0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr0 n SER 5 N -1.39 -4.77 -4.55 1.61 2.88 -1.26 -4.85 113.62 101.28 2cr0 n SER 5 Ca -0.02 -0.70 -0.33 0.00 -1.33 0.00 0.00 58.87 56.50 2cr0 n SER 5 Cb 0.51 -4.36 -0.11 0.00 -0.75 0.00 0.00 64.21 59.50 2cr0 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr0 s SER 6 N -3.49 4.41 0.00 -3.46 0.15 -1.25 -4.98 113.70 105.07 2cr0 s SER 6 Ca 0.53 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2cr0 s SER 6 Cb -0.25 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2cr0 s SER 6 CO 0.79 0.32 0.00 0.61 1.20 0.00 0.00 173.24 176.16 2cr0 n GLY 7 N 1.92 -1.74 3.26 9.45 0.00 -1.26 -4.59 105.19 112.23 2cr0 n GLY 7 Ca -0.17 0.78 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 2cr0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr0 s LYS 8 N 0.00 1.07 0.87 1.61 -2.85 -1.26 -4.69 119.74 114.49 2cr0 s LYS 8 Ca 0.00 -1.19 -0.11 0.00 -1.00 0.00 0.00 55.97 53.67 2cr0 s LYS 8 Cb 0.00 -1.15 0.11 0.00 -2.06 0.00 0.00 37.83 34.73 2cr0 s LYS 8 CO 0.00 0.25 1.09 -1.25 0.10 0.00 0.00 175.35 175.54 2cr0 s PRO 9 N -2.24 1.48 0.00 1.78 0.04 -1.23 -0.84 135.00 134.00 2cr0 s PRO 9 Ca 0.07 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2cr0 s PRO 9 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2cr0 s PRO 9 CO 0.04 -2.11 0.00 0.27 0.04 0.00 0.00 177.00 175.24 2cr0 n ASN 10 N -3.80 0.00 0.00 6.66 0.23 -1.26 -4.52 115.26 112.56 2cr0 n ASN 10 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 2cr0 n ASN 10 Cb 0.55 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2cr0 n ASN 10 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2cr0 n LEU 11 N -1.83 0.00 -3.27 -4.53 7.99 -1.26 -4.90 117.00 109.19 2cr0 n LEU 11 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.74 2cr0 n LEU 11 Cb 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 2cr0 n LEU 11 CO 0.00 0.00 0.01 0.61 -1.51 0.00 0.00 177.39 176.50 2cr0 n GLY 12 N 1.98 4.59 2.43 -0.72 0.00 -1.26 -4.90 105.19 107.31 2cr0 n GLY 12 Ca 0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 46.02 43.41 2cr0 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cr0 n ASN 13 N 0.68 -0.89 0.00 1.61 3.02 -1.26 -0.27 115.26 118.15 2cr0 n ASN 13 Ca 0.28 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2cr0 n ASN 13 Cb 0.44 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2cr0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr0 n GLY 14 N -0.51 0.99 3.14 7.41 0.00 -1.26 -4.50 105.19 110.46 2cr0 n GLY 14 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 2cr0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr0 s ALA 15 N -3.33 -0.86 -0.63 4.61 0.00 -0.67 -3.50 121.76 117.38 2cr0 s ALA 15 Ca 0.00 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 2cr0 s ALA 15 Cb 0.00 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 22.01 2cr0 s ALA 15 CO 0.00 -0.69 0.98 0.34 0.00 0.00 0.00 175.76 176.39 2cr0 s ASP 16 N 2.50 6.22 0.15 0.00 -1.08 -0.02 -3.11 116.67 121.33 2cr0 s ASP 16 Ca -0.00 -0.74 0.06 0.00 -0.52 0.00 0.00 52.55 51.34 2cr0 s ASP 16 Cb -0.12 -2.44 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 2cr0 s ASP 16 CO -0.11 -1.41 0.04 -0.76 0.52 0.00 0.00 175.17 173.46 2cr0 s LEU 17 N 4.17 3.51 0.50 -1.34 1.43 -1.02 -4.76 118.68 121.17 2cr0 s LEU 17 Ca 0.26 -0.26 0.29 0.00 -1.03 0.00 0.00 54.13 53.38 2cr0 s LEU 17 Cb -0.15 -2.16 1.22 0.00 0.03 0.00 0.00 46.19 45.13 2cr0 s LEU 17 CO 0.13 0.10 1.94 1.55 0.23 0.00 0.00 176.35 180.31 2cr0 h PRO 18 N 2.77 0.00 0.04 1.29 0.13 -2.03 -3.04 132.00 131.16 2cr0 h PRO 18 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 2cr0 h PRO 18 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2cr0 h PRO 18 CO 0.60 0.12 -1.78 -0.91 -0.23 0.00 0.00 178.00 175.80 2cr0 h ASN 19 N 0.00 0.14 -4.10 1.44 4.21 -1.99 -3.49 115.58 111.79 2cr0 h ASN 19 Ca -0.00 -0.31 0.19 0.00 1.21 0.00 0.00 56.30 57.39 2cr0 h ASN 19 Cb 0.57 -0.05 -0.21 0.00 -1.12 0.00 0.00 38.32 37.52 2cr0 h ASN 19 CO 0.02 1.28 0.72 -0.72 -1.29 0.00 0.00 177.43 177.44 2cr0 s TYR 20 N -2.59 -0.20 -0.03 1.19 -0.85 -1.15 -4.31 117.35 109.42 2cr0 s TYR 20 Ca -0.10 0.22 0.07 0.00 -0.52 0.00 0.00 57.07 56.74 2cr0 s TYR 20 Cb 0.08 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 2cr0 s TYR 20 CO 0.81 -0.26 -0.23 -0.98 -1.52 0.00 0.00 175.55 173.36 2cr0 s ARG 21 N -2.03 2.20 0.03 -3.49 1.04 -0.81 -2.44 118.95 113.47 2cr0 s ARG 21 Ca 0.06 -0.88 0.01 0.00 -1.04 0.00 0.00 55.73 53.88 2cr0 s ARG 21 Cb -0.01 -2.12 -0.02 0.00 -2.04 0.00 0.00 34.95 30.76 2cr0 s ARG 21 CO -0.05 0.57 -0.05 1.67 -0.04 0.00 0.00 175.30 177.40 2cr0 s TRP 22 N -0.63 0.49 0.20 5.89 1.48 -1.18 -0.53 118.94 124.67 2cr0 s TRP 22 Ca 0.10 -0.55 0.10 0.00 -1.06 0.00 0.00 56.10 54.69 2cr0 s TRP 22 Cb -0.10 -0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 31.85 2cr0 s TRP 22 CO -0.01 -0.14 -0.19 0.95 -4.06 0.00 0.00 176.95 173.50 2cr0 s THR 23 N -1.57 2.08 -0.02 0.66 -4.23 0.51 -1.66 115.64 111.41 2cr0 s THR 23 Ca -0.11 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.30 2cr0 s THR 23 Cb -0.09 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.71 2cr0 s THR 23 CO -0.01 -0.33 -0.05 0.00 -0.54 0.00 0.00 174.62 173.69 2cr0 s GLN 24 N -3.07 0.59 0.00 3.99 -2.07 0.63 0.05 119.66 119.78 2cr0 s GLN 24 Ca 0.21 -0.15 0.02 0.00 -1.82 0.00 0.00 55.36 53.62 2cr0 s GLN 24 Cb -0.05 -0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 31.25 2cr0 s GLN 24 CO 0.09 0.03 -0.07 0.95 -1.32 0.00 0.00 175.29 174.97 2cr0 s THR 25 N 0.34 0.57 0.49 3.63 -4.23 0.47 -4.34 115.64 112.58 2cr0 s THR 25 Ca -0.04 -0.43 0.37 0.00 -1.18 0.00 0.00 61.69 60.41 2cr0 s THR 25 Cb -0.08 -0.51 0.54 0.00 1.34 0.00 0.00 72.50 73.80 2cr0 s THR 25 CO -0.00 0.08 1.27 0.18 -0.54 0.00 0.00 174.62 175.61 2cr0 n LEU 26 N 2.68 0.00 -0.03 4.79 4.77 -1.26 -0.45 117.00 127.50 2cr0 n LEU 26 Ca -0.15 0.79 -0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2cr0 n LEU 26 Cb 0.57 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2cr0 n LEU 26 CO 0.25 -0.79 -0.00 0.00 -1.33 0.00 0.00 177.39 175.51 2cr0 h ALA 27 N 0.72 0.00 -2.89 -1.18 0.00 -1.89 -3.37 119.26 110.66 2cr0 h ALA 27 Ca 0.69 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.44 2cr0 h ALA 27 Cb 3.04 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.75 2cr0 h ALA 27 CO -0.01 0.00 -0.12 -1.83 0.00 0.00 0.00 179.25 177.30 2cr0 s GLU 28 N -1.29 1.80 0.37 0.00 -1.05 0.41 -3.76 118.70 115.17 2cr0 s GLU 28 Ca -0.00 -1.52 0.08 0.00 -0.15 0.00 0.00 54.97 53.38 2cr0 s GLU 28 Cb 0.00 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 2cr0 s GLU 28 CO 0.00 -0.76 0.20 -1.17 0.95 0.00 0.00 175.26 174.48 2cr0 s LEU 29 N -3.13 3.27 -0.02 1.83 0.20 0.85 -0.39 118.68 121.28 2cr0 s LEU 29 Ca 0.26 -0.83 -0.15 0.00 0.69 0.00 0.00 54.13 54.09 2cr0 s LEU 29 Cb -0.01 -1.74 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2cr0 s LEU 29 CO 0.15 -0.43 0.32 -0.62 -0.29 0.00 0.00 176.35 175.48 2cr0 s ASP 30 N -3.92 -0.21 0.03 3.68 2.15 0.11 -1.45 116.67 117.05 2cr0 s ASP 30 Ca 0.41 0.11 0.02 0.00 0.43 0.00 0.00 52.55 53.51 2cr0 s ASP 30 Cb -0.01 0.32 -0.02 0.00 -0.30 0.00 0.00 42.92 42.91 2cr0 s ASP 30 CO 0.24 -0.45 -0.06 -0.22 -0.17 0.00 0.00 175.17 174.51 2cr0 s LEU 31 N -1.32 2.19 -0.14 -1.34 2.96 -0.91 -0.36 118.68 119.76 2cr0 s LEU 31 Ca -0.13 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 2cr0 s LEU 31 Cb -0.05 -0.13 0.05 0.00 0.50 0.00 0.00 46.19 46.56 2cr0 s LEU 31 CO 0.04 -0.15 0.06 0.00 -1.32 0.00 0.00 176.35 174.98 2cr0 s ALA 32 N -1.05 0.59 -0.40 5.97 0.00 0.31 -1.75 121.76 125.43 2cr0 s ALA 32 Ca -0.08 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2cr0 s ALA 32 Cb -0.08 -0.97 0.09 0.00 0.00 0.00 0.00 23.12 22.16 2cr0 s ALA 32 CO 0.00 -0.98 0.20 0.08 0.00 0.00 0.00 175.76 175.07 2cr0 s VAL 33 N 2.04 3.72 0.02 0.00 1.01 -1.15 -1.92 120.40 124.12 2cr0 s VAL 33 Ca 0.02 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 2cr0 s VAL 33 Cb -0.15 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2cr0 s VAL 33 CO -0.07 -0.52 1.44 -2.16 0.00 0.00 0.00 175.10 173.79 2cr0 s PRO 34 N 1.30 4.27 -0.25 2.72 0.04 -1.26 -2.41 135.00 139.41 2cr0 s PRO 34 Ca 0.04 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2cr0 s PRO 34 Cb -0.23 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.76 2cr0 s PRO 34 CO -0.01 -0.59 -0.01 -0.06 0.04 0.00 0.00 177.00 176.38 2cr0 s PHE 35 N 2.37 3.06 -1.12 0.56 0.08 -0.23 -5.00 117.98 117.70 2cr0 s PHE 35 Ca 0.65 -1.13 -0.25 0.00 0.12 0.00 0.00 56.93 56.32 2cr0 s PHE 35 Cb -0.33 -2.14 -0.18 0.00 -0.57 0.00 0.00 43.02 39.80 2cr0 s PHE 35 CO 0.27 -0.61 2.06 1.03 -0.10 0.00 0.00 175.22 177.88 2cr0 s ARG 36 N 1.44 1.58 0.05 0.44 0.52 -1.26 -4.73 118.95 116.98 2cr0 s ARG 36 Ca 0.03 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.65 2cr0 s ARG 36 Cb -0.16 -5.06 -0.03 0.00 0.52 0.00 0.00 34.95 30.22 2cr0 s ARG 36 CO -0.02 -5.05 -0.20 0.14 0.02 0.00 0.00 175.30 170.19 2cr0 s VAL 37 N 15.21 1.63 -0.26 3.52 -7.23 -1.26 -5.03 120.40 126.99 2cr0 s VAL 37 Ca 0.77 -1.21 0.13 0.00 -1.81 0.00 0.00 61.98 59.87 2cr0 s VAL 37 Cb -0.04 -1.42 0.72 0.00 0.56 0.00 0.00 36.38 36.20 2cr0 s VAL 37 CO 0.17 0.17 1.69 -1.20 -0.31 0.00 0.00 175.10 175.61 2cr0 n SER 38 N 1.79 4.92 -2.16 4.85 7.64 -1.26 -4.95 113.62 124.45 2cr0 n SER 38 Ca -0.17 -3.09 -0.09 0.00 1.01 0.00 0.00 58.87 56.53 2cr0 n SER 38 Cb 0.53 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2cr0 n PHE 39 N 0.04 -0.84 -3.24 1.43 -1.74 -1.26 -5.14 117.46 106.71 2cr0 n PHE 39 Ca 0.31 -1.40 -0.40 0.00 -0.56 0.00 0.00 57.45 55.40 2cr0 n PHE 39 Cb 1.19 0.27 -0.07 0.00 1.52 0.00 0.00 39.48 42.38 2cr0 n PHE 39 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2cr0 s ARG 40 N -2.54 4.13 0.65 3.97 6.06 -1.26 -4.49 118.95 125.46 2cr0 s ARG 40 Ca 0.18 0.36 -0.14 0.00 -2.50 0.00 0.00 55.73 53.63 2cr0 s ARG 40 Cb -0.00 -3.61 -0.01 0.00 0.06 0.00 0.00 34.95 31.39 2cr0 s ARG 40 CO 0.13 -0.26 1.08 -0.51 -2.50 0.00 0.00 175.30 173.24 2cr0 s LEU 41 N 2.00 3.38 0.02 -0.88 1.43 -0.51 -4.98 118.68 119.14 2cr0 s LEU 41 Ca 0.22 1.87 0.07 0.00 -1.03 0.00 0.00 54.13 55.27 2cr0 s LEU 41 Cb -0.15 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.51 2cr0 s LEU 41 CO 0.09 -1.46 -0.22 -0.54 0.23 0.00 0.00 176.35 174.45 2cr0 s LYS 42 N -4.25 1.58 0.38 1.70 -0.14 -1.26 -4.76 119.74 112.97 2cr0 s LYS 42 Ca 0.64 -0.90 0.20 0.00 -1.36 0.00 0.00 55.97 54.56 2cr0 s LYS 42 Cb -0.18 -1.63 1.24 0.00 -1.68 0.00 0.00 37.83 35.58 2cr0 s LYS 42 CO 0.42 0.43 1.64 0.78 -0.76 0.00 0.00 175.35 177.86 2cr0 h GLY 43 N 5.14 1.88 2.00 -3.33 0.00 -1.97 1.24 103.07 108.02 2cr0 h GLY 43 Ca -0.42 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 46.56 2cr0 h GLY 43 CO 0.45 -0.52 -0.80 0.07 0.00 0.00 0.00 176.54 175.74 2cr0 h LYS 44 N 0.19 0.00 -0.67 4.80 2.10 -2.03 -3.24 116.57 117.72 2cr0 h LYS 44 Ca 0.78 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.36 2cr0 h LYS 44 Cb 2.03 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.33 2cr0 h LYS 44 CO -0.58 0.80 0.16 0.22 -2.00 0.00 0.00 179.45 178.05 2cr0 h ASP 45 N 0.00 1.03 -3.02 7.07 1.82 0.11 -3.44 116.42 120.00 2cr0 h ASP 45 Ca -0.01 -0.24 -0.50 0.00 -0.39 0.00 0.00 57.03 55.89 2cr0 h ASP 45 Cb 1.45 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 2cr0 h ASP 45 CO 0.10 1.00 -0.18 0.68 -1.61 0.00 0.00 179.24 179.23 2cr0 s VAL 46 N -5.30 5.08 -0.25 2.25 -7.23 -0.66 -1.46 120.40 112.82 2cr0 s VAL 46 Ca -0.12 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2cr0 s VAL 46 Cb 0.14 -3.79 0.07 0.00 0.56 0.00 0.00 36.38 33.36 2cr0 s VAL 46 CO 0.84 -0.41 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.50 2cr0 s VAL 47 N -2.17 1.53 -0.21 1.32 1.01 0.55 -4.67 120.40 117.76 2cr0 s VAL 47 Ca 0.42 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2cr0 s VAL 47 Cb -0.10 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.45 2cr0 s VAL 47 CO 0.33 -0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 2cr0 s VAL 48 N 1.37 1.72 -0.33 2.92 1.01 -1.26 -0.52 120.40 125.31 2cr0 s VAL 48 Ca -0.02 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 2cr0 s VAL 48 Cb -0.19 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.42 2cr0 s VAL 48 CO -0.08 0.13 0.10 -0.62 0.00 0.00 0.00 175.10 174.62 2cr0 s ASP 49 N 1.35 5.27 -0.19 3.32 -1.08 0.17 -4.95 116.67 120.56 2cr0 s ASP 49 Ca -0.03 -1.08 -0.07 0.00 -0.52 0.00 0.00 52.55 50.86 2cr0 s ASP 49 Cb -0.17 -1.87 -0.04 0.00 -1.46 0.00 0.00 42.92 39.39 2cr0 s ASP 49 CO -0.08 -0.30 0.06 -0.63 0.52 0.00 0.00 175.17 174.74 2cr0 s ILE 50 N 1.41 4.67 0.41 4.11 1.01 -1.26 0.27 121.20 131.82 2cr0 s ILE 50 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2cr0 s ILE 50 Cb -0.19 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2cr0 s ILE 50 CO 0.03 0.44 0.11 0.00 0.00 0.00 0.00 174.94 175.52 2cr0 n GLN 51 N 3.73 0.66 0.13 2.79 6.02 0.26 -5.00 117.38 125.97 2cr0 n GLN 51 Ca -0.16 -3.31 -0.14 0.00 -0.01 0.00 0.00 57.00 53.38 2cr0 n GLN 51 Cb 0.52 1.57 -0.08 0.00 1.02 0.00 0.00 30.24 33.28 2cr0 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2cr0 h ARG 52 N 0.00 -0.26 -0.23 -1.09 9.65 -1.98 -3.32 114.38 117.15 2cr0 h ARG 52 Ca -0.32 0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.37 2cr0 h ARG 52 Cb 1.16 0.06 -0.25 0.00 -1.39 0.00 0.00 29.97 29.55 2cr0 h ARG 52 CO 0.52 -0.10 -0.79 -2.13 2.80 0.00 0.00 179.97 180.27 2cr0 n ARG 53 N -5.16 1.69 -3.67 0.20 0.63 -1.26 -1.66 116.66 107.42 2cr0 n ARG 53 Ca -0.09 -3.22 -0.13 0.00 -0.92 0.00 0.00 57.85 53.49 2cr0 n ARG 53 Cb 0.16 -1.38 -0.08 0.00 0.45 0.00 0.00 32.46 31.61 2cr0 n ARG 53 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2cr0 s HIS 54 N -2.62 -0.66 0.00 -0.14 2.46 -1.25 -2.45 115.29 110.64 2cr0 s HIS 54 Ca 0.38 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.51 2cr0 s HIS 54 Cb 0.38 0.24 -0.00 0.00 -0.13 0.00 0.00 32.58 33.06 2cr0 s HIS 54 CO -0.06 -0.32 -0.02 -1.17 -2.47 0.00 0.00 174.74 170.70 2cr0 s LEU 55 N 0.38 2.04 -0.00 8.88 2.96 -1.25 0.92 118.68 132.61 2cr0 s LEU 55 Ca -0.01 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2cr0 s LEU 55 Cb -0.04 -0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.60 2cr0 s LEU 55 CO -0.00 -0.03 0.00 -0.60 -1.32 0.00 0.00 176.35 174.40 2cr0 s ARG 56 N -0.28 -0.00 -0.04 1.98 3.52 0.14 -3.76 118.95 120.52 2cr0 s ARG 56 Ca -0.02 0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.55 2cr0 s ARG 56 Cb -0.02 -0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.35 2cr0 s ARG 56 CO -0.00 -0.02 0.13 0.08 -0.81 0.00 0.00 175.30 174.68 2cr0 s VAL 57 N 0.11 0.02 -2.01 7.11 1.01 -0.71 0.46 120.40 126.39 2cr0 s VAL 57 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2cr0 s VAL 57 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2cr0 s VAL 57 CO -0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2cr0 n GLY 58 N 2.60 -0.69 3.10 4.51 0.00 0.32 -0.30 105.19 114.74 2cr0 n GLY 58 Ca -0.15 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2cr0 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr0 s LEU 59 N 0.00 2.21 0.15 0.99 1.43 -1.26 -0.33 118.68 121.87 2cr0 s LEU 59 Ca 0.00 -0.49 -0.34 0.00 -1.03 0.00 0.00 54.13 52.28 2cr0 s LEU 59 Cb 0.00 -0.39 -0.16 0.00 0.03 0.00 0.00 46.19 45.67 2cr0 s LEU 59 CO 0.00 -0.07 1.20 1.17 0.23 0.00 0.00 176.35 178.88 2cr0 n LYS 60 N 1.72 1.15 0.00 1.70 3.00 -0.53 -1.62 118.16 123.57 2cr0 n LYS 60 Ca -0.20 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2cr0 n LYS 60 Cb 0.55 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.64 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cr0 n GLY 61 N 2.13 1.26 3.73 3.14 0.00 -1.26 -4.93 105.19 109.26 2cr0 n GLY 61 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2cr0 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cr0 s GLN 62 N 0.00 1.74 0.44 1.61 1.11 -0.64 -4.99 119.66 118.92 2cr0 s GLN 62 Ca 0.00 1.19 -0.24 0.00 0.01 0.00 0.00 55.36 56.32 2cr0 s GLN 62 Cb 0.00 -1.84 -0.08 0.00 -1.01 0.00 0.00 33.01 30.09 2cr0 s GLN 62 CO 0.00 -2.01 1.17 -1.25 0.01 0.00 0.00 175.29 173.21 2cr0 s PRO 63 N -4.84 3.86 -0.09 2.91 0.04 -1.26 -4.39 135.00 131.22 2cr0 s PRO 63 Ca 0.63 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 2cr0 s PRO 63 Cb -0.19 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 2cr0 s PRO 63 CO 0.57 -0.48 1.52 -1.25 0.04 0.00 0.00 177.00 177.40 2cr0 s PRO 64 N -2.55 4.19 0.22 0.56 0.04 -1.26 -4.39 135.00 131.81 2cr0 s PRO 64 Ca 0.61 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 2cr0 s PRO 64 Cb -0.30 -3.91 0.21 0.00 0.04 0.00 0.00 34.50 30.54 2cr0 s PRO 64 CO 0.37 -0.80 1.72 0.28 0.04 0.00 0.00 177.00 178.60 2cr0 h VAL 65 N 5.56 1.25 -3.18 -0.36 2.07 -1.03 -3.41 116.25 117.15 2cr0 h VAL 65 Ca -0.35 -1.04 -0.67 0.00 0.82 0.00 0.00 66.70 65.46 2cr0 h VAL 65 Cb 1.15 0.77 -0.34 0.00 -1.52 0.00 0.00 31.29 31.35 2cr0 h VAL 65 CO 0.96 0.38 -0.83 -0.69 0.02 0.00 0.00 177.57 177.41 2cr0 s VAL 66 N -5.08 2.33 -0.21 2.57 1.01 -0.90 -4.99 120.40 115.13 2cr0 s VAL 66 Ca -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 2cr0 s VAL 66 Cb 0.14 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.61 2cr0 s VAL 66 CO 0.83 0.48 0.39 -0.62 0.00 0.00 0.00 175.10 176.18 2cr0 s ASP 67 N 1.31 -0.01 0.00 3.32 2.15 -1.26 -1.74 116.67 120.44 2cr0 s ASP 67 Ca 0.04 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.66 2cr0 s ASP 67 Cb -0.14 1.22 0.00 0.00 -0.30 0.00 0.00 42.92 43.70 2cr0 s ASP 67 CO -0.11 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 2cr0 n GLY 68 N 5.38 1.89 3.73 2.66 0.00 -1.25 -4.79 105.19 112.81 2cr0 n GLY 68 Ca -0.06 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2cr0 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cr0 s GLU 69 N -2.00 4.27 0.31 1.61 2.12 -1.26 -3.81 118.70 119.94 2cr0 s GLU 69 Ca 0.00 2.24 -0.29 0.00 0.36 0.00 0.00 54.97 57.28 2cr0 s GLU 69 Cb 0.00 -3.17 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 2cr0 s GLU 69 CO 0.00 -0.48 1.31 -0.51 -0.54 0.00 0.00 175.26 175.04 2cr0 s LEU 70 N 0.64 4.43 0.25 2.70 1.43 -1.03 -1.50 118.68 125.61 2cr0 s LEU 70 Ca 0.65 2.64 -0.03 0.00 -1.03 0.00 0.00 54.13 56.36 2cr0 s LEU 70 Cb -0.41 -3.64 0.51 0.00 0.03 0.00 0.00 46.19 42.68 2cr0 s LEU 70 CO 0.35 -0.54 1.72 0.22 0.23 0.00 0.00 176.35 178.33 2cr0 h TYR 71 N 3.79 0.54 -4.52 0.29 3.20 -1.78 -3.44 116.97 115.05 2cr0 h TYR 71 Ca -0.48 0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.14 2cr0 h TYR 71 Cb 1.22 -0.12 -0.15 0.00 1.54 0.00 0.00 36.73 39.23 2cr0 h TYR 71 CO 0.57 0.04 -0.60 1.21 -1.64 0.00 0.00 178.16 177.74 2cr0 s ASN 72 N -5.32 0.48 0.74 -2.11 3.84 -1.26 -5.08 114.94 106.24 2cr0 s ASN 72 Ca -0.12 -1.44 -0.14 0.00 0.21 0.00 0.00 52.86 51.37 2cr0 s ASN 72 Cb 0.22 0.38 0.05 0.00 -0.55 0.00 0.00 41.25 41.34 2cr0 s ASN 72 CO 0.77 -0.86 1.16 -1.61 -2.79 0.00 0.00 177.10 173.77 2cr0 s GLU 73 N -4.06 2.16 -0.16 0.43 2.02 -1.26 -4.80 118.70 113.03 2cr0 s GLU 73 Ca 0.39 1.57 -0.06 0.00 0.02 0.00 0.00 54.97 56.89 2cr0 s GLU 73 Cb 0.06 -1.86 0.07 0.00 0.10 0.00 0.00 34.13 32.51 2cr0 s GLU 73 CO 0.14 -1.78 0.35 0.14 0.02 0.00 0.00 175.26 174.13 2cr0 s VAL 74 N -2.27 -0.46 -0.91 2.63 -7.23 -0.67 -3.80 120.40 107.69 2cr0 s VAL 74 Ca 0.70 0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 60.88 2cr0 s VAL 74 Cb -0.25 -0.56 -0.25 0.00 0.56 0.00 0.00 36.38 35.89 2cr0 s VAL 74 CO 0.47 0.08 2.35 1.17 -0.31 0.00 0.00 175.10 178.87 2cr0 n LYS 75 N 5.18 0.21 -0.13 4.82 4.81 0.39 -4.53 118.16 128.92 2cr0 n LYS 75 Ca -0.10 -0.18 -0.13 0.00 -0.87 0.00 0.00 58.31 57.03 2cr0 n LYS 75 Cb 0.50 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.63 2cr0 n LYS 75 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2cr0 h VAL 76 N 7.43 1.27 -0.07 3.15 3.04 -1.87 0.22 116.25 129.42 2cr0 h VAL 76 Ca -0.01 -1.49 0.02 0.00 -1.01 0.00 0.00 66.70 64.21 2cr0 h VAL 76 Cb 1.16 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2cr0 h VAL 76 CO 1.40 0.50 0.25 -0.33 -1.01 0.00 0.00 177.57 178.38 2cr0 h GLU 77 N 0.75 0.00 0.00 4.17 5.08 -1.96 -2.30 114.58 120.32 2cr0 h GLU 77 Ca 0.07 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.16 2cr0 h GLU 77 Cb 0.91 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 2cr0 h GLU 77 CO 0.08 0.00 -2.05 0.39 -1.00 0.00 0.00 179.01 176.43 2cr0 n GLU 78 N -3.17 0.51 -1.41 2.33 -0.58 -1.06 -5.02 120.64 112.25 2cr0 n GLU 78 Ca -0.01 0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.43 2cr0 n GLU 78 Cb 0.33 -1.37 0.01 0.00 -0.57 0.00 0.00 31.44 29.84 2cr0 n GLU 78 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2cr0 n SER 79 N -3.02 -1.49 -3.55 1.62 7.64 0.76 -4.96 113.62 110.62 2cr0 n SER 79 Ca -0.32 0.84 -0.15 0.00 1.01 0.00 0.00 58.87 60.24 2cr0 n SER 79 Cb 0.85 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr0 s SER 80 N -1.00 -0.55 0.48 6.43 1.04 -1.02 -4.94 113.70 114.14 2cr0 s SER 80 Ca 0.63 0.62 0.04 0.00 0.48 0.00 0.00 55.95 57.71 2cr0 s SER 80 Cb -0.57 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 2cr0 s SER 80 CO 0.59 -0.49 0.05 -1.66 0.98 0.00 0.00 173.24 172.71 2cr0 s TRP 81 N -1.10 2.09 -0.07 5.02 1.48 -1.26 -0.30 118.94 124.80 2cr0 s TRP 81 Ca -0.07 -0.83 -0.30 0.00 -1.06 0.00 0.00 56.10 53.84 2cr0 s TRP 81 Cb -0.00 -1.71 0.09 0.00 -1.16 0.00 0.00 33.47 30.68 2cr0 s TRP 81 CO 0.06 0.23 0.79 -0.48 -4.06 0.00 0.00 176.95 173.50 2cr0 s LEU 82 N -3.87 -0.54 -0.07 -4.66 0.05 0.45 -4.95 118.68 105.10 2cr0 s LEU 82 Ca 0.19 0.53 -0.25 0.00 0.05 0.00 0.00 54.13 54.66 2cr0 s LEU 82 Cb 0.04 2.28 -0.03 0.00 -2.05 0.00 0.00 46.19 46.43 2cr0 s LEU 82 CO 0.10 -0.54 0.77 -0.63 -0.55 0.00 0.00 176.35 175.51 2cr0 s ILE 83 N -1.41 4.99 -0.24 1.48 1.01 -1.26 -1.56 121.20 124.22 2cr0 s ILE 83 Ca -0.06 1.59 -0.07 0.00 0.00 0.00 0.00 60.65 62.10 2cr0 s ILE 83 Cb -0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2cr0 s ILE 83 CO 0.05 0.20 0.07 -1.61 0.00 0.00 0.00 174.94 173.66 2cr0 s GLU 84 N 1.02 3.73 -1.21 2.79 0.41 0.90 -4.51 118.70 121.84 2cr0 s GLU 84 Ca 0.40 -0.44 -0.10 0.00 -0.41 0.00 0.00 54.97 54.42 2cr0 s GLU 84 Cb -0.18 -3.32 0.09 0.00 -1.78 0.00 0.00 34.13 28.94 2cr0 s GLU 84 CO 0.19 -0.09 0.43 -0.25 -0.49 0.00 0.00 175.26 175.05 2cr0 n ASP 85 N 4.65 -3.03 -3.02 -0.19 8.00 -1.26 -0.78 116.55 120.91 2cr0 n ASP 85 Ca -0.16 -0.40 -0.12 0.00 0.71 0.00 0.00 54.79 54.82 2cr0 n ASP 85 Cb 0.52 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.12 39.05 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cr0 n GLY 86 N -1.06 -0.46 0.00 0.44 0.00 -1.26 -4.55 105.19 98.30 2cr0 n GLY 86 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2cr0 n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cr0 n LYS 87 N -2.88 0.91 -4.40 1.61 2.85 0.04 -1.42 118.16 114.86 2cr0 n LYS 87 Ca 0.03 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.04 2cr0 n LYS 87 Cb 0.48 -0.64 -0.11 0.00 -0.65 0.00 0.00 35.03 34.10 2cr0 n LYS 87 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2cr0 s VAL 88 N -1.28 2.23 -0.33 0.58 1.01 -0.29 -1.07 120.40 121.24 2cr0 s VAL 88 Ca 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 59.98 2cr0 s VAL 88 Cb 0.00 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.41 2cr0 s VAL 88 CO 0.00 -0.19 0.04 -0.69 0.00 0.00 0.00 175.10 174.26 2cr0 s VAL 89 N -1.83 2.23 0.05 2.92 1.01 -1.01 -0.07 120.40 123.70 2cr0 s VAL 89 Ca 0.20 -2.28 -0.19 0.00 0.00 0.00 0.00 61.98 59.71 2cr0 s VAL 89 Cb -0.07 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 2cr0 s VAL 89 CO 0.09 -0.57 0.56 0.42 0.00 0.00 0.00 175.10 175.60 2cr0 s THR 90 N 0.93 4.79 -0.12 3.92 -4.23 -0.60 -2.93 115.64 117.39 2cr0 s THR 90 Ca 0.10 1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 61.79 2cr0 s THR 90 Cb -0.19 -3.89 0.03 0.00 1.34 0.00 0.00 72.50 69.79 2cr0 s THR 90 CO -0.08 0.53 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.78 2cr0 s VAL 91 N -0.95 0.97 -0.06 2.29 1.01 -0.72 -0.41 120.40 122.54 2cr0 s VAL 91 Ca 0.29 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 2cr0 s VAL 91 Cb -0.19 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2cr0 s VAL 91 CO 0.18 0.28 0.67 -2.28 0.00 0.00 0.00 175.10 173.96 2cr0 s HIS 92 N 1.72 3.59 -0.19 5.22 5.04 0.58 -2.14 115.29 129.12 2cr0 s HIS 92 Ca 0.04 1.23 0.00 0.00 -1.54 0.00 0.00 55.06 54.79 2cr0 s HIS 92 Cb -0.13 -2.76 0.02 0.00 0.04 0.00 0.00 32.58 29.74 2cr0 s HIS 92 CO -0.08 0.14 -0.17 -0.51 -2.34 0.00 0.00 174.74 171.77 2cr0 s LEU 93 N 0.61 2.28 -0.17 8.88 1.43 -0.53 -2.43 118.68 128.76 2cr0 s LEU 93 Ca 0.36 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 2cr0 s LEU 93 Cb -0.18 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2cr0 s LEU 93 CO 0.18 -0.01 0.87 -0.70 0.23 0.00 0.00 176.35 176.91 2cr0 s GLU 94 N 1.31 4.30 -0.51 1.70 2.56 -1.26 -0.11 118.70 126.69 2cr0 s GLU 94 Ca 0.05 1.08 -0.28 0.00 0.00 0.00 0.00 54.97 55.82 2cr0 s GLU 94 Cb -0.13 -3.58 0.03 0.00 2.00 0.00 0.00 34.13 32.45 2cr0 s GLU 94 CO -0.11 -0.36 1.10 0.15 -0.56 0.00 0.00 175.26 175.48 2cr0 s LYS 95 N 2.24 3.60 0.28 4.30 1.02 -1.25 -0.46 119.74 129.47 2cr0 s LYS 95 Ca 0.40 0.34 0.15 0.00 0.02 0.00 0.00 55.97 56.88 2cr0 s LYS 95 Cb -0.17 -3.95 1.01 0.00 -0.52 0.00 0.00 37.83 34.20 2cr0 s LYS 95 CO 0.12 -1.46 1.20 -0.89 -0.92 0.00 0.00 175.35 173.41 2cr0 n ILE 96 N 6.68 -0.32 -4.12 2.17 2.08 -1.25 -3.69 119.36 120.91 2cr0 n ILE 96 Ca 0.09 1.55 -0.33 0.00 0.56 0.00 0.00 62.75 64.63 2cr0 n ILE 96 Cb 0.49 -2.51 -0.16 0.00 -0.75 0.00 0.00 39.64 36.70 2cr0 n ILE 96 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2cr0 s ASN 97 N -4.65 3.08 0.48 4.38 0.01 -1.26 -4.99 114.94 112.00 2cr0 s ASN 97 Ca -0.07 -0.63 0.27 0.00 -0.71 0.00 0.00 52.86 51.72 2cr0 s ASN 97 Cb 0.26 -1.45 1.10 0.00 0.41 0.00 0.00 41.25 41.57 2cr0 s ASN 97 CO 0.59 -0.00 1.89 0.11 -1.51 0.00 0.00 177.10 178.18 2cr0 h LYS 98 N 7.93 0.00 -1.08 -0.60 1.79 -1.71 -2.86 116.57 120.04 2cr0 h LYS 98 Ca -0.45 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.66 2cr0 h LYS 98 Cb 1.14 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.59 2cr0 h LYS 98 CO 0.63 0.14 0.46 -1.33 -1.08 0.00 0.00 179.45 178.27 2cr0 n MET 99 N -3.30 1.88 -4.20 3.15 2.81 -1.26 -4.24 117.12 111.95 2cr0 n MET 99 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 57.70 53.73 2cr0 n MET 99 Cb 0.38 -1.78 -0.13 0.00 -0.71 0.00 0.00 33.22 30.97 2cr0 n MET 99 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cr0 s GLU 100 N -2.23 0.66 0.45 0.03 2.56 -1.08 -5.16 118.70 113.92 2cr0 s GLU 100 Ca 0.38 -0.60 0.07 0.00 0.00 0.00 0.00 54.97 54.83 2cr0 s GLU 100 Cb 0.32 -0.57 -0.01 0.00 2.00 0.00 0.00 34.13 35.87 2cr0 s GLU 100 CO 0.05 0.14 0.39 -1.58 -0.56 0.00 0.00 175.26 173.70 2cr0 s TRP 101 N -0.82 2.43 -0.00 5.30 0.52 -1.26 -4.62 118.94 120.49 2cr0 s TRP 101 Ca -0.02 -0.58 0.06 0.00 0.02 0.00 0.00 56.10 55.58 2cr0 s TRP 101 Cb -0.07 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 2cr0 s TRP 101 CO 0.01 -0.22 -0.18 -1.58 0.02 0.00 0.00 176.95 175.00 2cr0 s TRP 102 N -2.55 1.61 -0.50 -1.98 0.52 -1.26 -5.02 118.94 109.76 2cr0 s TRP 102 Ca 0.46 -0.32 0.23 0.00 0.02 0.00 0.00 56.10 56.49 2cr0 s TRP 102 Cb -0.02 -1.02 0.01 0.00 -1.15 0.00 0.00 33.47 31.28 2cr0 s TRP 102 CO 0.27 -0.00 0.98 -1.71 0.02 0.00 0.00 176.95 176.50 2cr0 n ASN 103 N 2.46 0.59 -3.61 2.95 5.15 -1.26 -4.95 115.26 116.58 2cr0 n ASN 103 Ca -0.15 -0.11 -0.01 0.00 -0.60 0.00 0.00 54.58 53.71 2cr0 n ASN 103 Cb 0.54 0.85 -0.01 0.00 -0.53 0.00 0.00 39.78 40.63 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cr0 s ARG 104 N -3.25 0.40 -0.05 1.20 1.70 -1.26 -0.72 118.95 116.97 2cr0 s ARG 104 Ca 0.02 -0.20 -0.26 0.00 -0.47 0.00 0.00 55.73 54.83 2cr0 s ARG 104 Cb 0.14 0.15 -0.20 0.00 -0.57 0.00 0.00 34.95 34.46 2cr0 s ARG 104 CO 0.81 -0.18 1.10 1.25 -1.08 0.00 0.00 175.30 177.20 2cr0 h LEU 105 N 2.00 -0.04 -7.39 -1.89 5.85 -1.90 -3.40 115.31 108.54 2cr0 h LEU 105 Ca -0.23 -0.55 -0.12 0.00 0.84 0.00 0.00 57.88 57.83 2cr0 h LEU 105 Cb 1.19 0.01 -0.22 0.00 0.37 0.00 0.00 40.66 42.01 2cr0 h LEU 105 CO 0.26 0.55 -0.24 0.68 -0.34 0.00 0.00 178.44 179.35 2cr0 s VAL 106 N -3.74 0.02 0.25 1.05 -7.23 -1.26 -3.59 120.40 105.90 2cr0 s VAL 106 Ca -0.16 -0.20 0.15 0.00 -1.81 0.00 0.00 61.98 59.96 2cr0 s VAL 106 Cb 0.01 -0.60 0.25 0.00 0.56 0.00 0.00 36.38 36.59 2cr0 s VAL 106 CO 0.64 -0.11 1.05 0.35 -0.31 0.00 0.00 175.10 176.72 2cr0 n THR 107 N 2.07 -0.27 0.09 5.32 -2.24 -0.56 0.19 114.28 118.88 2cr0 n THR 107 Ca -0.17 1.34 -0.13 0.00 -2.27 0.00 0.00 64.05 62.82 2cr0 n THR 107 Cb 0.57 -2.18 -0.08 0.00 -2.10 0.00 0.00 70.33 66.54 2cr0 n THR 107 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2cr0 h SER 108 N 0.00 -0.13 -4.16 3.42 0.87 -1.86 -3.44 113.55 108.24 2cr0 h SER 108 Ca 0.57 -0.05 -0.51 0.00 -1.23 0.00 0.00 61.79 60.57 2cr0 h SER 108 Cb 1.55 0.03 0.20 0.00 -0.44 0.00 0.00 62.40 63.74 2cr0 h SER 108 CO -0.49 -0.03 0.20 -1.81 -0.53 0.00 0.00 176.83 174.17 2cr0 s ASP 109 N -5.12 2.72 0.64 6.23 1.11 0.52 -4.98 116.67 117.80 2cr0 s ASP 109 Ca -0.14 2.12 -0.16 0.00 0.18 0.00 0.00 52.55 54.55 2cr0 s ASP 109 Cb 0.05 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 2cr0 s ASP 109 CO 0.65 -3.22 1.11 -2.16 1.18 0.00 0.00 175.17 172.74 2cr0 s PRO 110 N -4.63 2.88 0.05 8.23 0.04 -1.26 -4.76 135.00 135.55 2cr0 s PRO 110 Ca 0.67 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 2cr0 s PRO 110 Cb -0.23 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2cr0 s PRO 110 CO 0.59 -1.19 0.35 -1.21 0.04 0.00 0.00 177.00 175.57 2cr0 s GLU 111 N -3.99 3.68 -0.07 4.56 8.01 -1.26 -4.63 118.70 125.00 2cr0 s GLU 111 Ca 0.68 0.06 0.05 0.00 0.01 0.00 0.00 54.97 55.77 2cr0 s GLU 111 Cb -0.21 -3.02 -0.01 0.00 -4.31 0.00 0.00 34.13 26.58 2cr0 s GLU 111 CO 0.40 0.59 -0.24 0.96 0.01 0.00 0.00 175.26 176.97 2cr0 s ILE 112 N -1.37 2.04 -0.02 -1.63 -4.36 0.11 -4.78 121.20 111.18 2cr0 s ILE 112 Ca 0.31 -1.04 -0.33 0.00 -0.26 0.00 0.00 60.65 59.33 2cr0 s ILE 112 Cb -0.14 -1.74 -0.11 0.00 1.25 0.00 0.00 42.46 41.72 2cr0 s ILE 112 CO 0.18 0.56 1.86 -3.20 0.24 0.00 0.00 174.94 174.57 2cr0 n ASN 113 N 3.18 3.57 -4.50 4.36 2.85 -1.26 -4.75 115.26 118.70 2cr0 n ASN 113 Ca -0.18 0.98 -0.41 0.00 -0.11 0.00 0.00 54.58 54.86 2cr0 n ASN 113 Cb 0.52 -1.42 -0.10 0.00 1.24 0.00 0.00 39.78 40.02 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2cr0 s THR 114 N 3.65 5.23 -0.47 -0.44 -4.23 -1.26 -5.04 115.64 113.08 2cr0 s THR 114 Ca 0.90 -0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 2cr0 s THR 114 Cb -0.63 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 69.57 2cr0 s THR 114 CO 0.47 -0.09 0.34 -1.59 -0.54 0.00 0.00 174.62 173.21 2cr0 s LYS 115 N 1.70 2.48 0.02 3.99 -2.85 -1.26 -5.06 119.74 118.77 2cr0 s LYS 115 Ca 0.06 -1.74 -0.30 0.00 -1.00 0.00 0.00 55.97 52.98 2cr0 s LYS 115 Cb -0.18 -3.91 -0.06 0.00 -2.06 0.00 0.00 37.83 31.62 2cr0 s LYS 115 CO 0.10 -1.17 1.47 -1.54 0.10 0.00 0.00 175.35 174.31 2cr0 s SER 116 N 2.62 6.78 -0.44 0.03 1.04 -1.26 -4.97 113.70 117.50 2cr0 s SER 116 Ca 0.05 2.23 0.05 0.00 0.48 0.00 0.00 55.95 58.76 2cr0 s SER 116 Cb -0.26 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.47 2cr0 s SER 116 CO -0.01 -0.77 0.45 -0.83 0.98 0.00 0.00 173.24 173.07 2cr0 s GLY 117 N 2.00 0.39 -0.65 7.32 0.00 -1.26 -5.09 107.32 110.03 2cr0 s GLY 117 Ca 0.67 -1.74 -0.26 0.00 0.00 0.00 0.00 44.72 43.39 2cr0 s GLY 117 CO 0.28 2.61 1.87 2.56 0.00 0.00 0.00 173.10 180.43 2cr0 s PRO 118 N 0.42 2.62 -0.79 2.90 0.04 -1.26 -4.93 135.00 134.00 2cr0 s PRO 118 Ca 0.30 0.49 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 2cr0 s PRO 118 Cb 0.01 -4.48 0.04 0.00 0.04 0.00 0.00 34.50 30.10 2cr0 s PRO 118 CO -0.14 -2.82 1.30 0.45 0.04 0.00 0.00 177.00 175.84 2cr0 s SER 119 N 8.09 6.23 -0.24 6.66 0.15 -1.26 -4.97 113.70 128.36 2cr0 s SER 119 Ca 0.67 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 2cr0 s SER 119 Cb -0.12 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2cr0 s SER 119 CO 0.18 -1.76 1.77 -0.55 1.20 0.00 0.00 173.24 174.08 2cr0 s SER 120 N 3.98 6.11 0.00 5.45 0.15 -1.26 -5.37 113.70 122.76 2cr0 s SER 120 Ca 0.37 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.64 2cr0 s SER 120 Cb -0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2cr0 s SER 120 CO 0.10 -1.48 0.00 0.61 1.20 0.00 0.00 173.24 173.67