#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 s SER 2 N 0.00 4.62 -0.28 1.61 0.15 -1.26 -4.87 113.70 113.67 2cr0 s SER 2 Ca 0.00 0.88 -0.18 0.00 0.70 0.00 0.00 55.95 57.35 2cr0 s SER 2 Cb 0.00 -2.51 0.10 0.00 -1.71 0.00 0.00 66.02 61.90 2cr0 s SER 2 CO 0.00 -2.78 0.80 -0.94 1.20 0.00 0.00 173.24 171.51 2cr0 s SER 3 N 11.21 -0.76 -0.03 5.45 1.04 -1.26 -5.13 113.70 124.22 2cr0 s SER 3 Ca 0.90 1.27 -0.40 0.00 0.48 0.00 0.00 55.95 58.21 2cr0 s SER 3 Cb -0.16 1.31 -0.20 0.00 0.10 0.00 0.00 66.02 67.08 2cr0 s SER 3 CO 0.24 -0.20 1.08 0.61 0.98 0.00 0.00 173.24 175.95 2cr0 n GLY 4 N 3.74 -0.24 0.53 7.32 0.00 -1.26 -4.89 105.19 110.39 2cr0 n GLY 4 Ca -0.18 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 2cr0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr0 n SER 5 N 1.64 1.46 -4.72 1.61 7.64 -1.26 -5.00 113.62 114.99 2cr0 n SER 5 Ca 0.20 0.23 -0.36 0.00 1.01 0.00 0.00 58.87 59.96 2cr0 n SER 5 Cb 0.07 -0.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 2cr0 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr0 s SER 6 N -6.04 6.31 0.00 6.43 0.01 -1.26 -4.98 113.70 114.18 2cr0 s SER 6 Ca -0.17 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2cr0 s SER 6 Cb 0.03 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2cr0 s SER 6 CO 0.24 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2cr0 n GLY 7 N 3.53 2.56 3.10 3.44 0.00 -1.21 -4.87 105.19 111.74 2cr0 n GLY 7 Ca -0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2cr0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr0 s LYS 8 N -0.60 0.64 0.04 1.61 1.02 -1.23 -4.89 119.74 116.34 2cr0 s LYS 8 Ca 0.00 -0.99 -0.31 0.00 0.02 0.00 0.00 55.97 54.69 2cr0 s LYS 8 Cb 0.00 -0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.01 2cr0 s LYS 8 CO 0.00 0.02 1.42 -1.25 -0.92 0.00 0.00 175.35 174.61 2cr0 s PRO 9 N -2.53 4.29 0.54 -1.68 0.04 -1.26 -1.07 135.00 133.34 2cr0 s PRO 9 Ca -0.01 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.14 2cr0 s PRO 9 Cb -0.03 -3.48 0.07 0.00 0.04 0.00 0.00 34.50 31.10 2cr0 s PRO 9 CO -0.02 -0.54 0.75 -0.80 0.04 0.00 0.00 177.00 176.42 2cr0 s ASN 10 N 1.69 5.21 0.19 6.66 0.01 -1.16 -4.89 114.94 122.65 2cr0 s ASN 10 Ca 0.65 -0.70 -0.17 0.00 -0.71 0.00 0.00 52.86 51.93 2cr0 s ASN 10 Cb -0.34 0.01 0.16 0.00 0.41 0.00 0.00 41.25 41.50 2cr0 s ASN 10 CO 0.28 -1.22 1.61 0.25 -1.51 0.00 0.00 177.10 176.52 2cr0 h LEU 11 N 0.26 -0.79 -3.58 0.60 7.12 -1.95 -0.59 115.31 116.37 2cr0 h LEU 11 Ca -0.33 0.19 -0.08 0.00 0.13 0.00 0.00 57.88 57.79 2cr0 h LEU 11 Cb 1.29 0.44 -0.03 0.00 -0.53 0.00 0.00 40.66 41.83 2cr0 h LEU 11 CO 0.42 -0.25 -0.15 0.61 -0.13 0.00 0.00 178.44 178.94 2cr0 n GLY 12 N -1.42 2.55 3.77 3.75 0.00 -1.26 -4.74 105.19 107.84 2cr0 n GLY 12 Ca 0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 2.03 0.12 0.00 1.61 3.02 -0.23 -1.41 115.26 120.40 2cr0 n ASN 13 Ca 0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 2cr0 n ASN 13 Cb 0.64 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.79 3.81 2.92 7.41 0.00 -1.23 -4.16 105.19 112.16 2cr0 n GLY 14 Ca -0.14 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.40 -0.36 -0.42 4.61 0.00 -1.00 -3.00 121.76 119.18 2cr0 s ALA 15 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.43 2cr0 s ALA 15 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2cr0 s ALA 15 CO 0.00 -0.60 1.05 0.34 0.00 0.00 0.00 175.76 176.54 2cr0 s ASP 16 N 2.36 6.67 0.15 0.00 -1.08 -0.23 -3.73 116.67 120.81 2cr0 s ASP 16 Ca 0.02 0.53 0.08 0.00 -0.52 0.00 0.00 52.55 52.66 2cr0 s ASP 16 Cb -0.12 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 2cr0 s ASP 16 CO -0.07 -1.07 -0.08 -0.76 0.52 0.00 0.00 175.17 173.70 2cr0 s LEU 17 N 3.99 3.05 0.55 -1.34 1.43 -1.01 -3.32 118.68 122.04 2cr0 s LEU 17 Ca 0.44 -0.47 0.34 0.00 -1.03 0.00 0.00 54.13 53.41 2cr0 s LEU 17 Cb -0.10 -1.78 1.41 0.00 0.03 0.00 0.00 46.19 45.75 2cr0 s LEU 17 CO 0.25 0.13 2.00 1.55 0.23 0.00 0.00 176.35 180.51 2cr0 h PRO 18 N 3.19 0.00 0.02 1.29 0.13 -1.96 -2.99 132.00 131.69 2cr0 h PRO 18 Ca -0.48 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 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2cr0 h PRO 18 CO 0.54 0.00 -1.84 0.09 -0.23 0.00 0.00 178.00 176.56 2cr0 n ASN 19 N -3.08 1.07 -3.59 1.44 4.13 -1.26 -5.03 115.26 108.95 2cr0 n ASN 19 Ca 0.00 0.33 -0.04 0.00 1.68 0.00 0.00 54.58 56.55 2cr0 n ASN 19 Cb 0.29 -0.14 -0.02 0.00 -1.54 0.00 0.00 39.78 38.37 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2cr0 s TYR 20 N -2.58 -0.14 -0.09 3.10 -0.85 -1.13 -4.30 117.35 111.37 2cr0 s TYR 20 Ca -0.09 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 2cr0 s TYR 20 Cb 0.08 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 2cr0 s TYR 20 CO 0.81 -0.22 -0.20 -0.98 -1.52 0.00 0.00 175.55 173.44 2cr0 s ARG 21 N -2.46 2.90 -0.02 -3.49 1.70 -0.74 -2.39 118.95 114.46 2cr0 s ARG 21 Ca 0.09 -0.80 -0.01 0.00 -0.47 0.00 0.00 55.73 54.54 2cr0 s ARG 21 Cb -0.01 -2.36 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 2cr0 s ARG 21 CO -0.05 0.32 0.04 1.67 -1.08 0.00 0.00 175.30 176.21 2cr0 s TRP 22 N 0.01 -0.04 0.30 5.89 1.48 -1.24 -0.43 118.94 124.90 2cr0 s TRP 22 Ca -0.07 0.11 0.11 0.00 -1.06 0.00 0.00 56.10 55.19 2cr0 s TRP 22 Cb -0.15 -0.01 -0.05 0.00 -1.16 0.00 0.00 33.47 32.10 2cr0 s TRP 22 CO 0.05 -0.03 -0.11 0.95 -4.06 0.00 0.00 176.95 173.75 2cr0 s THR 23 N 0.15 2.68 -0.02 0.66 -4.23 0.08 -2.38 115.64 112.57 2cr0 s THR 23 Ca -0.01 -2.20 -0.00 0.00 -1.18 0.00 0.00 61.69 58.29 2cr0 s THR 23 Cb -0.02 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.30 2cr0 s THR 23 CO -0.00 -0.33 0.04 0.00 -0.54 0.00 0.00 174.62 173.78 2cr0 s GLN 24 N -3.59 -0.02 0.03 3.99 -2.07 -0.50 0.25 119.66 117.75 2cr0 s GLN 24 Ca 0.31 0.19 0.04 0.00 -1.82 0.00 0.00 55.36 54.08 2cr0 s GLN 24 Cb -0.03 -0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 31.65 2cr0 s GLN 24 CO 0.17 -0.15 -0.11 0.95 -1.32 0.00 0.00 175.29 174.83 2cr0 s THR 25 N 0.98 0.85 0.40 3.63 -4.23 0.39 -4.27 115.64 113.39 2cr0 s THR 25 Ca -0.08 -0.90 0.35 0.00 -1.18 0.00 0.00 61.69 59.88 2cr0 s THR 25 Cb -0.11 -0.80 0.52 0.00 1.34 0.00 0.00 72.50 73.44 2cr0 s THR 25 CO -0.03 -0.08 1.19 0.18 -0.54 0.00 0.00 174.62 175.34 2cr0 n LEU 26 N 1.95 0.05 0.02 4.79 4.77 -1.26 -0.48 117.00 126.84 2cr0 n LEU 26 Ca -0.18 0.84 -0.01 0.00 -0.03 0.00 0.00 56.01 56.63 2cr0 n LEU 26 Cb 0.55 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2cr0 n LEU 26 CO 0.23 -0.87 0.15 0.00 -1.33 0.00 0.00 177.39 175.57 2cr0 h ALA 27 N 0.88 -0.31 -2.92 -1.18 0.00 -1.88 -3.36 119.26 110.49 2cr0 h ALA 27 Ca 0.71 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.41 2cr0 h ALA 27 Cb 2.68 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.43 2cr0 h ALA 27 CO -0.11 -0.30 -0.09 -1.83 0.00 0.00 0.00 179.25 176.92 2cr0 s GLU 28 N -1.79 1.91 -0.06 0.00 1.03 0.37 -3.85 118.70 116.30 2cr0 s GLU 28 Ca -0.01 -1.60 0.03 0.00 0.03 0.00 0.00 54.97 53.42 2cr0 s GLU 28 Cb 0.00 0.48 -0.03 0.00 -0.80 0.00 0.00 34.13 33.79 2cr0 s GLU 28 CO 0.03 -0.81 -0.14 -1.17 -1.33 0.00 0.00 175.26 171.84 2cr0 s LEU 29 N -3.16 2.77 0.17 1.83 0.20 0.70 -0.46 118.68 120.72 2cr0 s LEU 29 Ca 0.26 -0.19 0.09 0.00 0.69 0.00 0.00 54.13 54.98 2cr0 s LEU 29 Cb -0.01 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 2cr0 s LEU 29 CO 0.16 0.33 -0.15 -1.81 -0.29 0.00 0.00 176.35 174.60 2cr0 s ASP 30 N -0.65 3.99 -0.01 3.68 1.01 0.14 -0.15 116.67 124.67 2cr0 s ASP 30 Ca 0.10 -0.63 -0.04 0.00 0.71 0.00 0.00 52.55 52.69 2cr0 s ASP 30 Cb -0.11 -0.58 0.00 0.00 1.01 0.00 0.00 42.92 43.24 2cr0 s ASP 30 CO 0.01 0.13 0.08 -0.22 0.21 0.00 0.00 175.17 175.38 2cr0 s LEU 31 N -2.61 1.73 -0.22 1.23 2.96 -1.09 -0.74 118.68 119.94 2cr0 s LEU 31 Ca 0.22 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2cr0 s LEU 31 Cb -0.09 0.38 0.09 0.00 0.50 0.00 0.00 46.19 47.07 2cr0 s LEU 31 CO 0.13 -0.18 0.16 0.00 -1.32 0.00 0.00 176.35 175.14 2cr0 s ALA 32 N -0.65 0.15 -0.54 5.97 0.00 0.42 -1.92 121.76 125.19 2cr0 s ALA 32 Ca -0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 2cr0 s ALA 32 Cb -0.04 -1.29 0.13 0.00 0.00 0.00 0.00 23.12 21.91 2cr0 s ALA 32 CO 0.00 -1.36 0.47 0.08 0.00 0.00 0.00 175.76 174.95 2cr0 s VAL 33 N 2.21 4.92 0.15 0.00 1.01 -1.12 -1.79 120.40 125.78 2cr0 s VAL 33 Ca 0.06 -1.65 -0.31 0.00 0.00 0.00 0.00 61.98 60.08 2cr0 s VAL 33 Cb -0.16 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 2cr0 s VAL 33 CO -0.19 -0.85 1.34 -2.16 0.00 0.00 0.00 175.10 173.23 2cr0 s PRO 34 N 1.44 4.36 -0.07 2.72 0.04 -1.26 -2.59 135.00 139.64 2cr0 s PRO 34 Ca 0.05 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2cr0 s PRO 34 Cb -0.28 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2cr0 s PRO 34 CO 0.01 -0.34 -0.21 -0.06 0.04 0.00 0.00 177.00 176.45 2cr0 s PHE 35 N 0.65 2.56 0.00 0.56 0.08 -0.39 -4.95 117.98 116.49 2cr0 s PHE 35 Ca 0.60 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.98 2cr0 s PHE 35 Cb -0.36 -1.65 -0.21 0.00 -0.57 0.00 0.00 43.02 40.23 2cr0 s PHE 35 CO 0.34 -0.16 2.98 2.89 -0.10 0.00 0.00 175.22 181.17 2cr0 n ARG 36 N 2.97 1.59 -3.52 0.44 1.85 -1.26 -4.74 116.66 113.99 2cr0 n ARG 36 Ca -0.18 -0.76 -0.37 0.00 -1.00 0.00 0.00 57.85 55.54 2cr0 n ARG 36 Cb 0.52 -1.85 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2cr0 s VAL 37 N 1.26 5.21 -0.35 8.89 -7.23 -1.26 -4.97 120.40 121.95 2cr0 s VAL 37 Ca 0.51 0.68 0.12 0.00 -1.81 0.00 0.00 61.98 61.48 2cr0 s VAL 37 Cb 0.24 -3.67 0.71 0.00 0.56 0.00 0.00 36.38 34.23 2cr0 s VAL 37 CO 0.00 0.47 1.59 -0.24 -0.31 0.00 0.00 175.10 176.61 2cr0 n SER 38 N 2.81 5.07 -3.19 4.85 2.88 -1.26 -4.85 113.62 119.93 2cr0 n SER 38 Ca -0.13 -2.83 -0.18 0.00 -1.33 0.00 0.00 58.87 54.40 2cr0 n SER 38 Cb 0.52 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2cr0 n PHE 39 N 0.49 -1.03 -2.92 0.66 -1.74 -1.26 -5.14 117.46 106.51 2cr0 n PHE 39 Ca 0.25 -2.70 -0.40 0.00 -0.56 0.00 0.00 57.45 54.04 2cr0 n PHE 39 Cb 1.09 0.38 -0.04 0.00 1.52 0.00 0.00 39.48 42.43 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 -3.19 4.51 0.01 3.97 3.52 -1.26 -4.46 118.95 122.06 2cr0 s ARG 40 Ca 0.37 1.12 -0.21 0.00 -0.13 0.00 0.00 55.73 56.88 2cr0 s ARG 40 Cb 0.01 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 2cr0 s ARG 40 CO 0.26 0.16 0.63 -0.51 -0.81 0.00 0.00 175.30 175.03 2cr0 s LEU 41 N 0.37 4.43 -0.01 -0.88 1.43 -0.92 -5.01 118.68 118.09 2cr0 s LEU 41 Ca 0.42 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 2cr0 s LEU 41 Cb -0.20 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2cr0 s LEU 41 CO 0.23 0.09 0.04 -0.54 0.23 0.00 0.00 176.35 176.41 2cr0 s LYS 42 N -0.21 2.93 0.46 1.70 1.02 -1.26 -4.79 119.74 119.58 2cr0 s LYS 42 Ca 0.32 -0.54 0.32 0.00 0.02 0.00 0.00 55.97 56.09 2cr0 s LYS 42 Cb -0.19 -2.77 1.44 0.00 -0.52 0.00 0.00 37.83 35.79 2cr0 s LYS 42 CO 0.18 0.64 1.66 0.78 -0.92 0.00 0.00 175.35 177.69 2cr0 h GLY 43 N 4.24 0.97 1.87 -3.33 0.00 -1.98 1.17 103.07 106.02 2cr0 h GLY 43 Ca -0.49 -0.10 -0.23 0.00 0.00 0.00 0.00 47.33 46.51 2cr0 h GLY 43 CO 0.60 -0.26 -1.07 0.07 0.00 0.00 0.00 176.54 175.87 2cr0 h LYS 44 N 0.11 0.10 -0.74 4.80 2.10 -2.03 -3.29 116.57 117.61 2cr0 h LYS 44 Ca 0.78 -0.16 -0.05 0.00 -2.00 0.00 0.00 60.65 59.21 2cr0 h LYS 44 Cb 2.55 0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 33.91 2cr0 h LYS 44 CO -0.30 1.07 0.25 -0.44 -2.00 0.00 0.00 179.45 178.03 2cr0 h ASP 45 N 0.03 1.07 -2.71 7.07 3.32 0.99 -3.43 116.42 122.76 2cr0 h ASP 45 Ca -0.05 -0.20 -0.47 0.00 0.02 0.00 0.00 57.03 56.33 2cr0 h ASP 45 Cb 1.82 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 41.10 2cr0 h ASP 45 CO 0.15 0.98 -0.21 0.68 -1.72 0.00 0.00 179.24 179.12 2cr0 s VAL 46 N -5.45 5.00 -0.24 -1.35 -7.23 -0.67 -0.22 120.40 110.23 2cr0 s VAL 46 Ca -0.12 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 2cr0 s VAL 46 Cb 0.15 -3.82 0.07 0.00 0.56 0.00 0.00 36.38 33.34 2cr0 s VAL 46 CO 0.84 -0.51 0.01 -0.69 -0.31 0.00 0.00 175.10 174.44 2cr0 s VAL 47 N -2.30 1.06 -0.22 1.32 1.01 0.58 -4.62 120.40 117.22 2cr0 s VAL 47 Ca 0.40 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2cr0 s VAL 47 Cb -0.10 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2cr0 s VAL 47 CO 0.35 -0.26 -0.06 -0.69 0.00 0.00 0.00 175.10 174.44 2cr0 s VAL 48 N 1.59 1.45 -0.29 2.92 1.01 -1.26 -0.86 120.40 124.95 2cr0 s VAL 48 Ca -0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2cr0 s VAL 48 Cb -0.18 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2cr0 s VAL 48 CO -0.10 -0.04 0.09 -0.62 0.00 0.00 0.00 175.10 174.43 2cr0 s ASP 49 N 1.45 5.21 -0.23 3.32 2.15 0.48 -4.94 116.67 124.10 2cr0 s ASP 49 Ca -0.04 -0.61 -0.05 0.00 0.43 0.00 0.00 52.55 52.27 2cr0 s ASP 49 Cb -0.18 -1.91 -0.02 0.00 -0.30 0.00 0.00 42.92 40.51 2cr0 s ASP 49 CO -0.07 -0.18 0.00 -0.63 -0.17 0.00 0.00 175.17 174.13 2cr0 s ILE 50 N 1.54 3.79 0.50 4.11 1.01 -1.26 0.42 121.20 131.30 2cr0 s ILE 50 Ca 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2cr0 s ILE 50 Cb -0.17 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2cr0 s ILE 50 CO 0.03 0.39 0.04 -1.10 0.00 0.00 0.00 174.94 174.31 2cr0 s GLN 51 N 1.47 2.17 0.09 2.79 -1.52 0.23 -4.97 119.66 119.92 2cr0 s GLN 51 Ca 0.05 -2.39 -0.28 0.00 -1.95 0.00 0.00 55.36 50.79 2cr0 s GLN 51 Cb -0.15 -1.25 -0.13 0.00 -0.22 0.00 0.00 33.01 31.26 2cr0 s GLN 51 CO -0.00 -0.45 1.65 -0.09 -0.25 0.00 0.00 175.29 176.15 2cr0 h ARG 52 N 1.40 -0.51 -0.49 2.91 9.65 -1.97 -3.30 114.38 122.06 2cr0 h ARG 52 Ca -0.41 0.04 -0.35 0.00 -1.10 0.00 0.00 59.98 58.15 2cr0 h ARG 52 Cb 1.31 0.12 -0.36 0.00 -1.39 0.00 0.00 29.97 29.65 2cr0 h ARG 52 CO 0.68 -0.34 -0.90 -2.13 2.80 0.00 0.00 179.97 180.08 2cr0 n ARG 53 N -5.36 2.45 -3.65 0.20 0.63 -1.26 -1.52 116.66 108.14 2cr0 n ARG 53 Ca -0.09 -3.66 -0.08 0.00 -0.92 0.00 0.00 57.85 53.10 2cr0 n ARG 53 Cb 0.27 -1.79 -0.08 0.00 0.45 0.00 0.00 32.46 31.31 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 -3.32 -0.95 0.02 -0.14 2.46 -1.24 -2.28 115.29 109.84 2cr0 s HIS 54 Ca 0.40 1.92 0.05 0.00 0.47 0.00 0.00 55.06 57.90 2cr0 s HIS 54 Cb 0.37 0.54 -0.02 0.00 -0.13 0.00 0.00 32.58 33.35 2cr0 s HIS 54 CO -0.02 -0.48 -0.16 -1.17 -2.47 0.00 0.00 174.74 170.44 2cr0 s LEU 55 N 1.59 2.12 -0.00 8.88 2.96 -1.22 0.74 118.68 133.75 2cr0 s LEU 55 Ca -0.10 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2cr0 s LEU 55 Cb -0.06 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 2cr0 s LEU 55 CO -0.18 0.12 0.00 -0.60 -1.32 0.00 0.00 176.35 174.37 2cr0 s ARG 56 N -0.85 0.05 -0.11 1.98 3.52 0.17 -3.39 118.95 120.32 2cr0 s ARG 56 Ca 0.04 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 2cr0 s ARG 56 Cb -0.07 0.02 0.03 0.00 -1.56 0.00 0.00 34.95 33.37 2cr0 s ARG 56 CO 0.01 -0.01 0.33 0.08 -0.81 0.00 0.00 175.30 174.90 2cr0 s VAL 57 N -0.17 0.01 -2.80 7.11 1.01 -0.30 -0.39 120.40 124.86 2cr0 s VAL 57 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2cr0 s VAL 57 Cb -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2cr0 s VAL 57 CO -0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2cr0 n GLY 58 N 2.59 -0.53 3.29 4.51 0.00 -0.04 -0.42 105.19 114.59 2cr0 n GLY 58 Ca -0.15 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 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 2.13 0.27 0.99 1.43 -1.26 -0.31 118.68 121.93 2cr0 s LEU 59 Ca 0.00 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.30 2cr0 s LEU 59 Cb 0.00 -1.17 -0.15 0.00 0.03 0.00 0.00 46.19 44.91 2cr0 s LEU 59 CO 0.00 0.24 0.83 1.17 0.23 0.00 0.00 176.35 178.82 2cr0 n LYS 60 N 2.00 0.89 0.00 1.70 4.81 0.69 -1.56 118.16 126.69 2cr0 n LYS 60 Ca -0.17 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2cr0 n LYS 60 Cb 0.52 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.01 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cr0 n GLY 61 N 1.49 1.18 3.81 3.14 0.00 -1.26 -4.91 105.19 108.63 2cr0 n GLY 61 Ca 0.12 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 2.58 0.39 1.61 -0.21 -0.60 -5.01 119.66 118.42 2cr0 s GLN 62 Ca 0.00 0.90 -0.26 0.00 0.02 0.00 0.00 55.36 56.02 2cr0 s GLN 62 Cb 0.00 -1.95 -0.09 0.00 1.00 0.00 0.00 33.01 31.97 2cr0 s GLN 62 CO 0.00 -1.34 1.20 -1.25 -2.12 0.00 0.00 175.29 171.78 2cr0 s PRO 63 N -5.05 4.10 -0.08 2.91 0.04 -1.26 -4.40 135.00 131.25 2cr0 s PRO 63 Ca 0.59 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2cr0 s PRO 63 Cb -0.15 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 2cr0 s PRO 63 CO 0.55 -0.30 1.51 -1.25 0.04 0.00 0.00 177.00 177.55 2cr0 s PRO 64 N -2.20 4.21 0.23 0.56 0.04 -1.26 -4.43 135.00 132.15 2cr0 s PRO 64 Ca 0.56 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.54 2cr0 s PRO 64 Cb -0.33 -3.87 0.21 0.00 0.04 0.00 0.00 34.50 30.55 2cr0 s PRO 64 CO 0.41 -0.78 1.82 0.28 0.04 0.00 0.00 177.00 178.77 2cr0 h VAL 65 N 5.47 1.26 -3.27 -0.36 2.07 -1.12 -3.41 116.25 116.90 2cr0 h VAL 65 Ca -0.35 -0.75 -0.66 0.00 0.82 0.00 0.00 66.70 65.75 2cr0 h VAL 65 Cb 1.16 0.23 -0.30 0.00 -1.52 0.00 0.00 31.29 30.85 2cr0 h VAL 65 CO 0.95 0.32 -0.79 -0.69 0.02 0.00 0.00 177.57 177.38 2cr0 s VAL 66 N -5.63 2.79 -0.30 2.57 1.01 -0.89 -4.99 120.40 114.96 2cr0 s VAL 66 Ca -0.12 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2cr0 s VAL 66 Cb 0.16 -2.21 0.15 0.00 0.00 0.00 0.00 36.38 34.48 2cr0 s VAL 66 CO 0.83 0.49 0.62 1.51 0.00 0.00 0.00 175.10 178.55 2cr0 s ASP 67 N 1.10 -1.17 0.00 3.32 -4.77 -1.26 -1.14 116.67 112.75 2cr0 s ASP 67 Ca 0.00 1.31 0.00 0.00 -3.30 0.00 0.00 52.55 50.56 2cr0 s ASP 67 Cb -0.14 2.21 0.00 0.00 -1.09 0.00 0.00 42.92 43.89 2cr0 s ASP 67 CO -0.04 -0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.21 2cr0 n GLY 68 N 5.44 1.66 3.64 2.12 0.00 -1.22 -4.69 105.19 112.15 2cr0 n GLY 68 Ca -0.08 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 3.95 0.22 1.61 2.12 -1.26 -3.41 118.70 119.93 2cr0 s GLU 69 Ca 0.00 1.98 -0.32 0.00 0.36 0.00 0.00 54.97 56.99 2cr0 s GLU 69 Cb 0.00 -4.04 -0.14 0.00 0.26 0.00 0.00 34.13 30.21 2cr0 s GLU 69 CO 0.00 -1.12 1.32 1.28 -0.54 0.00 0.00 175.26 176.21 2cr0 n LEU 70 N 7.98 2.59 -0.32 2.70 4.77 -0.97 -2.27 117.00 131.48 2cr0 n LEU 70 Ca 0.19 1.14 0.19 0.00 -0.03 0.00 0.00 56.01 57.50 2cr0 n LEU 70 Cb 0.44 -1.36 0.39 0.00 -2.33 0.00 0.00 43.42 40.56 2cr0 n LEU 70 CO 0.64 -0.76 0.98 0.22 -1.33 0.00 0.00 177.39 177.13 2cr0 h TYR 71 N 3.88 0.50 -4.44 -1.77 3.20 -1.72 -3.43 116.97 113.19 2cr0 h TYR 71 Ca -0.44 0.05 -0.31 0.00 3.14 0.00 0.00 58.73 61.17 2cr0 h TYR 71 Cb 1.30 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.39 2cr0 h TYR 71 CO 0.55 -0.29 -0.39 1.21 -1.64 0.00 0.00 178.16 177.61 2cr0 s ASN 72 N -4.93 0.86 0.75 -2.11 2.47 -1.26 -5.07 114.94 105.65 2cr0 s ASN 72 Ca -0.11 -1.49 -0.14 0.00 0.42 0.00 0.00 52.86 51.54 2cr0 s ASN 72 Cb 0.29 0.55 0.05 0.00 -1.45 0.00 0.00 41.25 40.69 2cr0 s ASN 72 CO 0.78 -1.09 1.18 -1.61 -3.72 0.00 0.00 177.10 172.64 2cr0 s GLU 73 N -3.57 2.06 -0.19 0.43 2.02 -1.26 -4.77 118.70 113.43 2cr0 s GLU 73 Ca 0.35 1.65 -0.07 0.00 0.02 0.00 0.00 54.97 56.92 2cr0 s GLU 73 Cb 0.02 -1.84 0.08 0.00 0.10 0.00 0.00 34.13 32.50 2cr0 s GLU 73 CO 0.19 -1.87 0.40 0.14 0.02 0.00 0.00 175.26 174.14 2cr0 s VAL 74 N -2.17 -0.55 -0.91 2.63 -7.23 -0.57 -3.89 120.40 107.70 2cr0 s VAL 74 Ca 0.72 0.17 -0.24 0.00 -1.81 0.00 0.00 61.98 60.81 2cr0 s VAL 74 Cb -0.26 -0.64 -0.22 0.00 0.56 0.00 0.00 36.38 35.82 2cr0 s VAL 74 CO 0.47 0.07 2.50 1.17 -0.31 0.00 0.00 175.10 179.01 2cr0 n LYS 75 N 5.26 0.19 0.05 4.82 4.81 0.63 -4.51 118.16 129.41 2cr0 n LYS 75 Ca -0.10 -0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.13 2cr0 n LYS 75 Cb 0.50 -1.82 -0.05 0.00 0.02 0.00 0.00 35.03 33.68 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 7.69 1.35 0.00 3.15 3.04 -1.87 0.36 116.25 129.97 2cr0 h VAL 76 Ca -0.05 -2.28 -0.00 0.00 -1.01 0.00 0.00 66.70 63.35 2cr0 h VAL 76 Cb 1.24 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 32.82 2cr0 h VAL 76 CO 1.39 0.69 -0.00 -0.33 -1.01 0.00 0.00 177.57 178.31 2cr0 h GLU 77 N 0.32 0.00 0.00 4.17 5.08 -1.95 -2.97 114.58 119.23 2cr0 h GLU 77 Ca -0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 2cr0 h GLU 77 Cb 1.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.73 2cr0 h GLU 77 CO 0.17 0.00 -2.17 0.39 -1.00 0.00 0.00 179.01 176.40 2cr0 n GLU 78 N -3.80 0.56 -1.21 2.33 -0.58 -1.18 -5.01 120.64 111.75 2cr0 n GLU 78 Ca -0.03 0.11 -0.37 0.00 -0.42 0.00 0.00 57.16 56.46 2cr0 n GLU 78 Cb 0.08 -1.41 0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 -3.07 -2.20 -3.50 1.62 7.64 0.13 -4.99 113.62 109.23 2cr0 n SER 79 Ca -0.36 0.55 -0.04 0.00 1.01 0.00 0.00 58.87 60.03 2cr0 n SER 79 Cb 0.89 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr0 s SER 80 N -1.36 -0.08 0.24 6.43 0.15 -1.07 -4.92 113.70 113.09 2cr0 s SER 80 Ca 0.61 -0.59 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 2cr0 s SER 80 Cb -0.35 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 2cr0 s SER 80 CO 0.63 -1.00 0.27 -1.66 1.20 0.00 0.00 173.24 172.67 2cr0 s TRP 81 N -2.68 0.99 0.20 3.44 1.48 -1.26 -0.06 118.94 121.05 2cr0 s TRP 81 Ca 0.17 -1.22 -0.20 0.00 -1.06 0.00 0.00 56.10 53.79 2cr0 s TRP 81 Cb -0.02 -0.33 0.04 0.00 -1.16 0.00 0.00 33.47 32.00 2cr0 s TRP 81 CO 0.04 -0.80 0.60 -0.48 -4.06 0.00 0.00 176.95 172.25 2cr0 s LEU 82 N -3.15 -0.25 -0.15 -4.66 0.05 0.02 -4.99 118.68 105.55 2cr0 s LEU 82 Ca 0.34 -0.32 -0.14 0.00 0.05 0.00 0.00 54.13 54.05 2cr0 s LEU 82 Cb 0.04 2.46 -0.05 0.00 -2.05 0.00 0.00 46.19 46.59 2cr0 s LEU 82 CO 0.13 -1.09 0.32 -0.63 -0.55 0.00 0.00 176.35 174.54 2cr0 s ILE 83 N -3.84 5.28 -0.30 1.48 1.01 -1.26 -1.44 121.20 122.14 2cr0 s ILE 83 Ca 0.06 0.61 -0.08 0.00 0.00 0.00 0.00 60.65 61.25 2cr0 s ILE 83 Cb -0.02 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 2cr0 s ILE 83 CO -0.05 0.39 0.11 -1.61 0.00 0.00 0.00 174.94 173.78 2cr0 s GLU 84 N 0.42 3.24 -1.51 2.79 2.02 0.79 -4.54 118.70 121.91 2cr0 s GLU 84 Ca 0.18 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.27 2cr0 s GLU 84 Cb -0.13 -3.45 0.09 0.00 0.10 0.00 0.00 34.13 30.75 2cr0 s GLU 84 CO 0.05 -0.41 0.79 -0.25 0.02 0.00 0.00 175.26 175.46 2cr0 n ASP 85 N 4.92 -4.31 -2.07 -0.19 8.00 -1.26 -0.75 116.55 120.89 2cr0 n ASP 85 Ca -0.14 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2cr0 n ASP 85 Cb 0.49 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 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 -1.48 -0.38 0.00 0.44 0.00 -1.26 -4.47 105.19 98.04 2cr0 n GLY 86 Ca 0.03 0.00 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 -2.02 1.78 -4.44 1.61 2.85 -0.44 -2.17 118.16 115.33 2cr0 n LYS 87 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 2cr0 n LYS 87 Cb 0.38 -0.72 -0.10 0.00 -0.65 0.00 0.00 35.03 33.94 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 -1.44 2.30 -0.31 0.58 1.01 0.07 -1.27 120.40 121.34 2cr0 s VAL 88 Ca 0.00 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.66 2cr0 s VAL 88 Cb 0.00 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.25 2cr0 s VAL 88 CO 0.00 -0.42 0.07 -0.69 0.00 0.00 0.00 175.10 174.06 2cr0 s VAL 89 N -2.54 1.39 0.09 2.92 1.01 -1.07 -0.15 120.40 122.05 2cr0 s VAL 89 Ca 0.27 -1.67 -0.20 0.00 0.00 0.00 0.00 61.98 60.38 2cr0 s VAL 89 Cb -0.04 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 2cr0 s VAL 89 CO 0.13 -0.58 0.60 0.42 0.00 0.00 0.00 175.10 175.66 2cr0 s THR 90 N 1.37 4.68 -0.16 3.92 -4.23 -0.52 -2.81 115.64 117.88 2cr0 s THR 90 Ca 0.08 1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.87 2cr0 s THR 90 Cb -0.18 -3.94 0.05 0.00 1.34 0.00 0.00 72.50 69.77 2cr0 s THR 90 CO -0.17 0.55 0.00 -0.69 -0.54 0.00 0.00 174.62 173.77 2cr0 s VAL 91 N -1.12 0.68 -0.10 2.29 1.01 -0.81 -0.80 120.40 121.56 2cr0 s VAL 91 Ca 0.30 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 2cr0 s VAL 91 Cb -0.20 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2cr0 s VAL 91 CO 0.20 -0.03 0.80 -2.28 0.00 0.00 0.00 175.10 173.79 2cr0 s HIS 92 N 1.81 3.53 -0.24 5.22 2.46 0.91 -2.67 115.29 126.31 2cr0 s HIS 92 Ca 0.00 1.32 -0.01 0.00 0.47 0.00 0.00 55.06 56.85 2cr0 s HIS 92 Cb -0.16 -2.94 0.03 0.00 -0.13 0.00 0.00 32.58 29.38 2cr0 s HIS 92 CO -0.07 -0.05 -0.08 -0.51 -2.47 0.00 0.00 174.74 171.55 2cr0 s LEU 93 N 1.35 3.08 -0.06 8.88 1.43 0.78 -2.60 118.68 131.55 2cr0 s LEU 93 Ca 0.40 -0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 2cr0 s LEU 93 Cb -0.18 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2cr0 s LEU 93 CO 0.18 -0.12 0.86 -0.70 0.23 0.00 0.00 176.35 176.80 2cr0 s GLU 94 N 1.30 4.46 -0.43 1.70 2.56 -1.26 -0.21 118.70 126.81 2cr0 s GLU 94 Ca 0.00 1.15 -0.24 0.00 0.00 0.00 0.00 54.97 55.89 2cr0 s GLU 94 Cb -0.16 -3.48 0.02 0.00 2.00 0.00 0.00 34.13 32.51 2cr0 s GLU 94 CO -0.05 -0.08 0.81 0.15 -0.56 0.00 0.00 175.26 175.53 2cr0 s LYS 95 N 1.22 3.51 0.24 4.30 1.02 -1.25 -0.27 119.74 128.51 2cr0 s LYS 95 Ca 0.44 0.04 0.13 0.00 0.02 0.00 0.00 55.97 56.61 2cr0 s LYS 95 Cb -0.19 -3.91 0.87 0.00 -0.52 0.00 0.00 37.83 34.09 2cr0 s LYS 95 CO 0.21 -1.08 1.05 -0.89 -0.92 0.00 0.00 175.35 173.71 2cr0 n ILE 96 N 6.12 -0.28 -4.09 2.17 2.08 -1.25 -3.54 119.36 120.57 2cr0 n ILE 96 Ca 0.03 1.35 -0.32 0.00 0.56 0.00 0.00 62.75 64.37 2cr0 n ILE 96 Cb 0.48 -2.18 -0.16 0.00 -0.75 0.00 0.00 39.64 37.03 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 -4.70 3.34 0.34 4.38 0.01 -1.26 -4.98 114.94 112.08 2cr0 s ASN 97 Ca -0.06 -0.78 0.26 0.00 -0.71 0.00 0.00 52.86 51.57 2cr0 s ASN 97 Cb 0.22 -1.45 1.17 0.00 0.41 0.00 0.00 41.25 41.60 2cr0 s ASN 97 CO 0.52 -0.05 1.79 0.11 -1.51 0.00 0.00 177.10 177.95 2cr0 h LYS 98 N 7.92 0.00 -1.02 -0.60 1.79 -1.71 -2.49 116.57 120.47 2cr0 h LYS 98 Ca -0.39 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.62 2cr0 h LYS 98 Cb 1.12 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.51 2cr0 h LYS 98 CO 0.59 0.00 0.59 -1.33 -1.08 0.00 0.00 179.45 178.21 2cr0 n MET 99 N -2.44 2.11 -4.46 3.15 2.81 -1.26 -4.10 117.12 112.93 2cr0 n MET 99 Ca 0.01 -2.59 -0.20 0.00 -1.81 0.00 0.00 57.70 53.11 2cr0 n MET 99 Cb 0.20 -2.01 -0.15 0.00 -0.71 0.00 0.00 33.22 30.54 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 -2.86 0.88 0.39 0.03 2.56 -0.94 -5.10 118.70 113.65 2cr0 s GLU 100 Ca 0.49 -0.40 0.08 0.00 0.00 0.00 0.00 54.97 55.14 2cr0 s GLU 100 Cb 0.41 -0.85 -0.01 0.00 2.00 0.00 0.00 34.13 35.68 2cr0 s GLU 100 CO 0.08 0.23 0.42 -1.58 -0.56 0.00 0.00 175.26 173.85 2cr0 s TRP 101 N -0.27 2.82 -0.06 5.30 0.52 -1.26 -4.53 118.94 121.46 2cr0 s TRP 101 Ca 0.04 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.80 2cr0 s TRP 101 Cb -0.04 -2.13 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 2cr0 s TRP 101 CO -0.00 -0.13 -0.18 -1.58 0.02 0.00 0.00 176.95 175.09 2cr0 s TRP 102 N -2.37 1.82 -0.28 -1.98 0.52 -1.26 -5.01 118.94 110.38 2cr0 s TRP 102 Ca 0.48 -0.60 0.20 0.00 0.02 0.00 0.00 56.10 56.21 2cr0 s TRP 102 Cb -0.06 -1.24 0.12 0.00 -1.15 0.00 0.00 33.47 31.14 2cr0 s TRP 102 CO 0.29 -0.23 1.31 -0.91 0.02 0.00 0.00 176.95 177.44 2cr0 h ASN 103 N 6.46 0.00 -3.54 2.95 4.21 -1.97 -3.48 115.58 120.22 2cr0 h ASN 103 Ca -0.30 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.33 2cr0 h ASN 103 Cb 1.19 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.13 2cr0 h ASN 103 CO 0.48 0.18 0.64 0.00 -1.29 0.00 0.00 177.43 177.44 2cr0 s ARG 104 N -3.16 0.42 0.13 0.81 1.70 -1.26 -2.07 118.95 115.52 2cr0 s ARG 104 Ca 0.03 0.21 -0.32 0.00 -0.47 0.00 0.00 55.73 55.18 2cr0 s ARG 104 Cb 0.07 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 2cr0 s ARG 104 CO 0.74 -0.11 1.56 1.25 -1.08 0.00 0.00 175.30 177.66 2cr0 h LEU 105 N 2.86 -1.64 -7.94 -1.89 6.46 -1.92 -3.37 115.31 107.87 2cr0 h LEU 105 Ca -0.19 0.21 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 2cr0 h LEU 105 Cb 1.17 0.67 -0.16 0.00 -0.73 0.00 0.00 40.66 41.61 2cr0 h LEU 105 CO 0.24 -0.44 -0.50 0.68 -0.62 0.00 0.00 178.44 177.80 2cr0 s VAL 106 N -5.75 0.16 0.61 1.05 -7.23 -1.26 -3.25 120.40 104.72 2cr0 s VAL 106 Ca -0.15 -1.29 0.26 0.00 -1.81 0.00 0.00 61.98 58.99 2cr0 s VAL 106 Cb 0.09 -1.22 0.36 0.00 0.56 0.00 0.00 36.38 36.17 2cr0 s VAL 106 CO 0.63 -0.71 1.56 0.71 -0.31 0.00 0.00 175.10 176.97 2cr0 h THR 107 N 3.19 0.14 -0.53 5.32 1.35 -1.74 0.35 112.91 120.99 2cr0 h THR 107 Ca -0.33 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.18 2cr0 h THR 107 Cb 1.18 0.29 -0.15 0.00 -1.73 0.00 0.00 68.15 67.74 2cr0 h THR 107 CO 0.56 0.00 0.44 -0.24 -0.25 0.00 0.00 175.52 176.04 2cr0 n SER 108 N -3.35 6.02 -3.96 5.36 2.88 -1.26 -4.87 113.62 114.43 2cr0 n SER 108 Ca 0.14 -3.08 -0.09 0.00 -1.33 0.00 0.00 58.87 54.51 2cr0 n SER 108 Cb 1.08 -0.98 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 2cr0 n SER 108 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2cr0 s ASP 109 N -0.05 0.21 0.44 -3.46 1.01 0.12 -4.99 116.67 109.95 2cr0 s ASP 109 Ca 0.33 -0.83 -0.24 0.00 0.71 0.00 0.00 52.55 52.53 2cr0 s ASP 109 Cb 0.27 0.32 -0.08 0.00 1.01 0.00 0.00 42.92 44.44 2cr0 s ASP 109 CO 0.01 -0.73 1.17 -2.16 0.21 0.00 0.00 175.17 173.67 2cr0 s PRO 110 N -3.91 3.83 0.13 8.23 0.04 -1.26 -4.91 135.00 137.15 2cr0 s PRO 110 Ca 0.10 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 2cr0 s PRO 110 Cb 0.06 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2cr0 s PRO 110 CO -0.07 -0.50 0.58 -1.21 0.04 0.00 0.00 177.00 175.84 2cr0 s GLU 111 N -2.58 4.11 -0.01 4.56 2.02 -1.26 -4.61 118.70 120.92 2cr0 s GLU 111 Ca 0.62 0.64 0.03 0.00 0.02 0.00 0.00 54.97 56.28 2cr0 s GLU 111 Cb -0.29 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 2cr0 s GLU 111 CO 0.36 0.53 -0.11 0.96 0.02 0.00 0.00 175.26 177.02 2cr0 s ILE 112 N -1.34 0.89 0.23 -1.63 -4.36 -0.88 -5.06 121.20 109.06 2cr0 s ILE 112 Ca 0.35 -0.47 -0.32 0.00 -0.26 0.00 0.00 60.65 59.95 2cr0 s ILE 112 Cb -0.17 -0.75 -0.12 0.00 1.25 0.00 0.00 42.46 42.67 2cr0 s ILE 112 CO 0.19 0.25 1.70 0.21 0.24 0.00 0.00 174.94 177.54 2cr0 s ASN 113 N -0.19 6.37 0.38 4.36 3.84 -1.26 -4.75 114.94 123.68 2cr0 s ASN 113 Ca 0.03 2.90 0.07 0.00 0.21 0.00 0.00 52.86 56.08 2cr0 s ASN 113 Cb -0.05 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 38.03 2cr0 s ASN 113 CO -0.00 -0.97 0.41 0.42 -2.79 0.00 0.00 177.10 174.17 2cr0 s THR 114 N 0.94 3.26 -0.24 -5.21 -4.23 -1.26 -5.07 115.64 103.83 2cr0 s THR 114 Ca 0.73 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 59.86 2cr0 s THR 114 Cb -0.50 -3.13 -0.10 0.00 1.34 0.00 0.00 72.50 70.11 2cr0 s THR 114 CO 0.35 -0.08 -0.34 1.17 -0.54 0.00 0.00 174.62 175.18 2cr0 n LYS 115 N -1.57 0.56 -3.20 3.99 3.00 -1.26 -5.03 118.16 114.65 2cr0 n LYS 115 Ca 0.02 0.25 -0.16 0.00 -0.00 0.00 0.00 58.31 58.43 2cr0 n LYS 115 Cb 0.60 -1.48 0.06 0.00 0.00 0.00 0.00 35.03 34.22 2cr0 n LYS 115 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2cr0 n SER 116 N -4.34 -3.89 -4.31 3.14 7.64 -1.26 -4.98 113.62 105.63 2cr0 n SER 116 Ca -0.38 -0.42 -0.45 0.00 1.01 0.00 0.00 58.87 58.63 2cr0 n SER 116 Cb 0.73 -3.88 -0.06 0.00 -1.01 0.00 0.00 64.21 59.99 2cr0 n SER 116 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cr0 s GLY 117 N -3.56 2.08 0.84 0.23 0.00 -1.26 -5.07 107.32 100.57 2cr0 s GLY 117 Ca 0.25 -2.49 -0.11 0.00 0.00 0.00 0.00 44.72 42.37 2cr0 s GLY 117 CO 0.54 1.17 1.09 2.56 0.00 0.00 0.00 173.10 178.46 2cr0 s PRO 118 N 1.57 1.73 -0.10 2.90 0.04 -1.26 -5.02 135.00 134.86 2cr0 s PRO 118 Ca 0.03 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 2cr0 s PRO 118 Cb -0.29 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2cr0 s PRO 118 CO 0.03 -1.96 -0.07 0.77 0.04 0.00 0.00 177.00 175.82 2cr0 h SER 119 N -1.35 0.00 -3.76 6.66 0.02 -2.03 -3.49 113.55 109.60 2cr0 h SER 119 Ca -0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 2cr0 h SER 119 Cb 1.26 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.58 2cr0 h SER 119 CO 0.53 0.54 0.20 -0.55 -1.14 0.00 0.00 176.83 176.41 2cr0 s SER 120 N -5.37 -0.69 0.00 3.07 0.15 -1.26 -5.35 113.70 104.26 2cr0 s SER 120 Ca -0.05 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2cr0 s SER 120 Cb 0.01 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2cr0 s SER 120 CO 0.08 -0.23 0.46 0.61 1.20 0.00 0.00 173.24 175.36