#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 4.61 -0.18 1.61 0.01 -1.26 -5.09 113.70 113.39 2cr0 s SER 2 Ca 0.00 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 2cr0 s SER 2 Cb 0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 2cr0 s SER 2 CO 0.00 -1.67 0.04 -0.44 0.41 0.00 0.00 173.24 171.58 2cr0 s SER 3 N -4.69 5.38 0.00 2.44 0.01 -1.26 -5.00 113.70 110.58 2cr0 s SER 3 Ca 0.64 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.90 2cr0 s SER 3 Cb -0.06 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2cr0 s SER 3 CO 0.42 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.83 2cr0 n GLY 4 N 3.69 0.83 3.14 3.44 0.00 -1.26 -5.07 105.19 109.97 2cr0 n GLY 4 Ca -0.17 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2cr0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr0 s SER 5 N 1.00 5.37 0.19 1.61 1.04 -1.26 -4.95 113.70 116.70 2cr0 s SER 5 Ca 0.00 -2.04 -0.09 0.00 0.48 0.00 0.00 55.95 54.30 2cr0 s SER 5 Cb 0.00 -1.87 0.09 0.00 0.10 0.00 0.00 66.02 64.34 2cr0 s SER 5 CO 0.00 -0.57 1.68 0.28 0.98 0.00 0.00 173.24 175.61 2cr0 h SER 6 N 8.11 1.05 -3.05 7.02 0.02 -1.97 -3.41 113.55 121.32 2cr0 h SER 6 Ca -0.14 -0.26 -0.57 0.00 -0.84 0.00 0.00 61.79 59.98 2cr0 h SER 6 Cb 1.05 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2cr0 h SER 6 CO 0.74 1.05 1.09 -0.83 -1.14 0.00 0.00 176.83 177.73 2cr0 s GLY 7 N -3.48 1.14 0.01 -3.77 0.00 -1.26 -4.78 107.32 95.18 2cr0 s GLY 7 Ca -0.12 0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.73 2cr0 s GLY 7 CO 0.85 2.85 -0.07 0.54 0.00 0.00 0.00 173.10 177.27 2cr0 s LYS 8 N 4.81 2.53 0.11 2.90 1.02 -1.25 -4.81 119.74 125.05 2cr0 s LYS 8 Ca 0.65 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 55.59 2cr0 s LYS 8 Cb -0.18 -2.49 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 2cr0 s LYS 8 CO 0.30 0.60 1.36 -1.25 -0.92 0.00 0.00 175.35 175.44 2cr0 s PRO 9 N -1.49 4.34 0.52 -1.68 0.04 -1.25 -1.56 135.00 133.91 2cr0 s PRO 9 Ca 0.18 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.32 2cr0 s PRO 9 Cb -0.11 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2cr0 s PRO 9 CO 0.08 -0.41 0.46 0.54 0.04 0.00 0.00 177.00 177.71 2cr0 s ASN 10 N 1.07 4.80 0.46 6.66 2.20 -1.23 -4.90 114.94 124.00 2cr0 s ASN 10 Ca 0.64 -1.07 0.30 0.00 -0.94 0.00 0.00 52.86 51.79 2cr0 s ASN 10 Cb -0.36 0.16 1.40 0.00 -2.00 0.00 0.00 41.25 40.45 2cr0 s ASN 10 CO 0.30 -1.03 1.69 0.25 -2.94 0.00 0.00 177.10 175.37 2cr0 h LEU 11 N 0.73 0.23 -3.56 3.54 5.85 -1.96 0.61 115.31 120.76 2cr0 h LEU 11 Ca -0.37 0.08 -0.41 0.00 0.84 0.00 0.00 57.88 58.02 2cr0 h LEU 11 Cb 1.29 0.06 -0.19 0.00 0.37 0.00 0.00 40.66 42.19 2cr0 h LEU 11 CO 0.55 -0.06 0.53 0.61 -0.34 0.00 0.00 178.44 179.73 2cr0 n GLY 12 N -1.60 4.41 2.43 3.75 0.00 -1.26 -4.84 105.19 108.08 2cr0 n GLY 12 Ca 0.33 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.21 -0.93 -0.47 1.61 3.02 0.21 -0.36 115.26 118.12 2cr0 n ASN 13 Ca 0.40 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 2cr0 n ASN 13 Cb 0.78 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.49 1.72 2.93 7.41 0.00 -1.25 -4.47 105.19 111.05 2cr0 n GLY 14 Ca 0.01 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.18 -0.30 -0.59 4.61 0.00 -1.00 -3.52 121.76 117.77 2cr0 s ALA 15 Ca 0.00 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 2cr0 s ALA 15 Cb 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.63 2cr0 s ALA 15 CO 0.00 -0.23 0.86 0.34 0.00 0.00 0.00 175.76 176.73 2cr0 s ASP 16 N 1.38 6.23 0.15 0.00 2.15 -0.60 -3.51 116.67 122.47 2cr0 s ASP 16 Ca -0.07 -0.82 -0.01 0.00 0.43 0.00 0.00 52.55 52.08 2cr0 s ASP 16 Cb -0.11 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2cr0 s ASP 16 CO -0.06 -1.23 0.33 -0.76 -0.17 0.00 0.00 175.17 173.27 2cr0 s LEU 17 N 3.60 4.28 0.31 -1.34 1.43 -0.51 -3.94 118.68 122.53 2cr0 s LEU 17 Ca 0.22 0.37 0.25 0.00 -1.03 0.00 0.00 54.13 53.95 2cr0 s LEU 17 Cb -0.17 -3.11 1.06 0.00 0.03 0.00 0.00 46.19 44.01 2cr0 s LEU 17 CO 0.13 0.04 1.76 1.55 0.23 0.00 0.00 176.35 180.06 2cr0 h PRO 18 N 2.43 0.00 0.00 1.29 0.13 -1.96 -2.86 132.00 131.03 2cr0 h PRO 18 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 2cr0 h PRO 18 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2cr0 h PRO 18 CO 0.71 0.00 -2.10 0.09 -0.23 0.00 0.00 178.00 176.46 2cr0 n ASN 19 N -2.40 0.19 -3.64 1.44 4.13 -1.26 -5.05 115.26 108.67 2cr0 n ASN 19 Ca 0.02 0.08 0.01 0.00 1.68 0.00 0.00 54.58 56.37 2cr0 n ASN 19 Cb 0.24 1.04 -0.01 0.00 -1.54 0.00 0.00 39.78 39.51 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 -2.81 -0.05 0.01 3.10 -0.85 -1.08 -4.37 117.35 111.30 2cr0 s TYR 20 Ca -0.08 -0.08 0.06 0.00 -0.52 0.00 0.00 57.07 56.45 2cr0 s TYR 20 Cb 0.08 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 2cr0 s TYR 20 CO 0.85 -0.35 -0.19 -0.98 -1.52 0.00 0.00 175.55 173.36 2cr0 s ARG 21 N -2.54 1.39 -0.03 -3.49 3.03 -0.22 -1.42 118.95 115.67 2cr0 s ARG 21 Ca 0.14 -0.75 -0.14 0.00 2.03 0.00 0.00 55.73 57.01 2cr0 s ARG 21 Cb 0.04 -1.40 0.02 0.00 -1.03 0.00 0.00 34.95 32.58 2cr0 s ARG 21 CO -0.03 0.37 0.29 1.67 -1.13 0.00 0.00 175.30 176.47 2cr0 s TRP 22 N -0.59 -0.18 0.24 5.89 1.48 -1.23 0.10 118.94 124.66 2cr0 s TRP 22 Ca 0.07 0.29 0.11 0.00 -1.06 0.00 0.00 56.10 55.51 2cr0 s TRP 22 Cb -0.08 0.08 -0.05 0.00 -1.16 0.00 0.00 33.47 32.27 2cr0 s TRP 22 CO 0.00 -0.35 -0.21 0.95 -4.06 0.00 0.00 176.95 173.28 2cr0 s THR 23 N -1.15 2.35 -0.04 0.66 -4.23 0.14 -2.39 115.64 110.99 2cr0 s THR 23 Ca -0.12 -2.23 -0.02 0.00 -1.18 0.00 0.00 61.69 58.14 2cr0 s THR 23 Cb -0.05 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.62 2cr0 s THR 23 CO 0.03 -0.30 0.09 0.00 -0.54 0.00 0.00 174.62 173.91 2cr0 s GLN 24 N -3.15 0.07 0.29 3.99 -2.07 0.51 -0.26 119.66 119.03 2cr0 s GLN 24 Ca 0.25 0.21 0.03 0.00 -1.82 0.00 0.00 55.36 54.03 2cr0 s GLN 24 Cb -0.06 -0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.73 2cr0 s GLN 24 CO 0.12 -0.09 0.17 0.95 -1.32 0.00 0.00 175.29 175.12 2cr0 s THR 25 N 0.63 0.23 -0.77 3.63 -4.23 -0.87 -4.09 115.64 110.16 2cr0 s THR 25 Ca -0.05 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 2cr0 s THR 25 Cb -0.07 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.37 2cr0 s THR 25 CO -0.03 0.00 1.35 0.18 -0.54 0.00 0.00 174.62 175.58 2cr0 n LEU 26 N -0.52 0.20 -0.01 4.79 4.77 -1.26 -3.46 117.00 121.51 2cr0 n LEU 26 Ca 0.02 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.57 2cr0 n LEU 26 Cb 0.65 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2cr0 n LEU 26 CO 0.34 -0.54 -0.04 0.00 -1.33 0.00 0.00 177.39 175.83 2cr0 n ALA 27 N -1.59 0.05 -3.11 -1.18 0.00 -1.26 -3.97 120.51 109.45 2cr0 n ALA 27 Ca 0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2cr0 n ALA 27 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 2cr0 n ALA 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr0 s GLU 28 N -1.13 1.75 0.16 0.00 1.03 -1.22 -3.78 118.70 115.51 2cr0 s GLU 28 Ca -0.02 -1.48 0.08 0.00 0.03 0.00 0.00 54.97 53.58 2cr0 s GLU 28 Cb 0.00 0.47 -0.04 0.00 -0.80 0.00 0.00 34.13 33.76 2cr0 s GLU 28 CO 0.03 -0.74 -0.06 -1.17 -1.33 0.00 0.00 175.26 171.99 2cr0 s LEU 29 N -3.11 3.11 -0.00 1.83 0.20 0.72 -2.06 118.68 119.37 2cr0 s LEU 29 Ca 0.25 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.63 2cr0 s LEU 29 Cb -0.01 -1.81 -0.00 0.00 -0.43 0.00 0.00 46.19 43.93 2cr0 s LEU 29 CO 0.14 0.12 -0.05 -0.62 -0.29 0.00 0.00 176.35 175.65 2cr0 s ASP 30 N -2.70 0.59 0.02 3.68 2.15 0.64 -0.19 116.67 120.87 2cr0 s ASP 30 Ca 0.25 -0.09 0.07 0.00 0.43 0.00 0.00 52.55 53.20 2cr0 s ASP 30 Cb -0.10 -0.07 -0.02 0.00 -0.30 0.00 0.00 42.92 42.44 2cr0 s ASP 30 CO 0.16 0.06 -0.20 -0.22 -0.17 0.00 0.00 175.17 174.80 2cr0 s LEU 31 N -0.11 2.11 -0.22 -1.34 2.96 -0.45 0.24 118.68 121.88 2cr0 s LEU 31 Ca 0.02 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2cr0 s LEU 31 Cb -0.02 -0.95 0.07 0.00 0.50 0.00 0.00 46.19 45.79 2cr0 s LEU 31 CO -0.00 0.18 0.06 0.00 -1.32 0.00 0.00 176.35 175.27 2cr0 s ALA 32 N -0.66 1.01 -0.56 5.97 0.00 0.29 -0.80 121.76 127.01 2cr0 s ALA 32 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2cr0 s ALA 32 Cb -0.08 -1.27 0.14 0.00 0.00 0.00 0.00 23.12 21.91 2cr0 s ALA 32 CO 0.01 -1.31 0.48 0.08 0.00 0.00 0.00 175.76 175.02 2cr0 s VAL 33 N 1.86 4.86 -0.06 0.00 1.01 -1.14 -1.06 120.40 125.88 2cr0 s VAL 33 Ca 0.02 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 59.89 2cr0 s VAL 33 Cb -0.17 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2cr0 s VAL 33 CO -0.14 -0.86 1.49 -2.16 0.00 0.00 0.00 175.10 173.43 2cr0 s PRO 34 N 1.23 4.22 -0.18 2.72 0.04 -1.26 -2.73 135.00 139.05 2cr0 s PRO 34 Ca 0.07 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 2cr0 s PRO 34 Cb -0.25 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2cr0 s PRO 34 CO -0.00 -0.73 0.02 -0.06 0.04 0.00 0.00 177.00 176.27 2cr0 s PHE 35 N 3.34 3.15 -0.93 0.56 0.08 -0.85 -4.95 117.98 118.37 2cr0 s PHE 35 Ca 0.66 -0.11 -0.21 0.00 0.12 0.00 0.00 56.93 57.39 2cr0 s PHE 35 Cb -0.30 -2.05 -0.12 0.00 -0.57 0.00 0.00 43.02 39.98 2cr0 s PHE 35 CO 0.25 0.04 1.94 2.89 -0.10 0.00 0.00 175.22 180.24 2cr0 n ARG 36 N 3.65 1.70 -4.44 0.44 1.85 -1.26 -4.73 116.66 113.87 2cr0 n ARG 36 Ca -0.17 -2.09 -0.25 0.00 -1.00 0.00 0.00 57.85 54.34 2cr0 n ARG 36 Cb 0.52 -3.14 -0.10 0.00 -1.05 0.00 0.00 32.46 28.69 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 6.08 2.55 -0.36 8.89 -7.23 -1.26 -5.04 120.40 124.03 2cr0 s VAL 37 Ca 0.59 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 2cr0 s VAL 37 Cb 0.11 -2.31 0.08 0.00 0.56 0.00 0.00 36.38 34.81 2cr0 s VAL 37 CO 0.10 -0.33 0.93 -0.24 -0.31 0.00 0.00 175.10 175.26 2cr0 n SER 38 N -0.42 1.97 -3.28 4.85 2.88 -1.26 -4.96 113.62 113.40 2cr0 n SER 38 Ca -0.07 -1.72 -0.18 0.00 -1.33 0.00 0.00 58.87 55.57 2cr0 n SER 38 Cb 0.59 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.04 0.30 -3.18 0.66 -1.74 -1.26 -5.13 117.46 107.07 2cr0 n PHE 39 Ca 0.03 -1.72 -0.39 0.00 -0.56 0.00 0.00 57.45 54.81 2cr0 n PHE 39 Cb 0.24 -0.07 -0.05 0.00 1.52 0.00 0.00 39.48 41.11 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 -3.09 4.37 0.08 3.97 3.52 -1.26 -4.45 118.95 122.10 2cr0 s ARG 40 Ca 0.10 0.65 -0.23 0.00 -0.13 0.00 0.00 55.73 56.11 2cr0 s ARG 40 Cb 0.00 -3.46 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 2cr0 s ARG 40 CO 0.07 0.07 0.71 -0.51 -0.81 0.00 0.00 175.30 174.83 2cr0 s LEU 41 N 0.84 4.50 -0.03 -0.88 1.43 -0.40 -5.02 118.68 119.13 2cr0 s LEU 41 Ca 0.31 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2cr0 s LEU 41 Cb -0.16 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2cr0 s LEU 41 CO 0.14 0.14 0.04 -0.54 0.23 0.00 0.00 176.35 176.35 2cr0 s LYS 42 N -0.61 2.98 0.58 1.70 -0.14 -1.26 -4.80 119.74 118.18 2cr0 s LYS 42 Ca 0.35 -0.48 0.38 0.00 -1.36 0.00 0.00 55.97 54.85 2cr0 s LYS 42 Cb -0.21 -2.80 1.41 0.00 -1.68 0.00 0.00 37.83 34.55 2cr0 s LYS 42 CO 0.22 0.66 1.57 0.78 -0.76 0.00 0.00 175.35 177.82 2cr0 h GLY 43 N 4.49 0.00 1.20 -3.33 0.00 -1.98 1.05 103.07 104.50 2cr0 h GLY 43 Ca -0.50 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.51 2cr0 h GLY 43 CO 0.58 0.00 -1.55 0.07 0.00 0.00 0.00 176.54 175.65 2cr0 h LYS 44 N 0.00 0.34 -0.91 4.80 2.10 -2.03 -3.33 116.57 117.54 2cr0 h LYS 44 Ca 0.64 -0.58 0.06 0.00 -2.00 0.00 0.00 60.65 58.78 2cr0 h LYS 44 Cb 2.93 0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 34.41 2cr0 h LYS 44 CO -0.01 1.23 0.59 -0.44 -2.00 0.00 0.00 179.45 178.83 2cr0 h ASP 45 N 0.09 0.93 -2.61 7.07 3.32 0.75 -3.43 116.42 122.54 2cr0 h ASP 45 Ca -0.26 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.32 2cr0 h ASP 45 Cb 2.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.42 2cr0 h ASP 45 CO 0.19 0.60 -0.28 0.68 -1.72 0.00 0.00 179.24 178.71 2cr0 s VAL 46 N -5.92 5.16 -0.34 -1.35 -7.23 -0.91 -0.55 120.40 109.27 2cr0 s VAL 46 Ca -0.12 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 2cr0 s VAL 46 Cb 0.20 -3.85 0.11 0.00 0.56 0.00 0.00 36.38 33.39 2cr0 s VAL 46 CO 0.80 -0.46 0.12 -0.69 -0.31 0.00 0.00 175.10 174.56 2cr0 s VAL 47 N -2.18 1.20 -0.32 1.32 1.01 -0.59 -4.66 120.40 116.17 2cr0 s VAL 47 Ca 0.38 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 2cr0 s VAL 47 Cb -0.09 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.46 2cr0 s VAL 47 CO 0.33 -0.71 0.04 -0.69 0.00 0.00 0.00 175.10 174.07 2cr0 s VAL 48 N 1.24 2.87 -0.29 2.92 1.01 -1.26 -1.87 120.40 125.03 2cr0 s VAL 48 Ca 0.12 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 2cr0 s VAL 48 Cb -0.19 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2cr0 s VAL 48 CO -0.17 -0.28 0.15 -0.62 0.00 0.00 0.00 175.10 174.18 2cr0 s ASP 49 N 1.32 5.66 -0.16 3.32 -1.08 0.12 -4.95 116.67 120.90 2cr0 s ASP 49 Ca -0.01 -0.25 -0.03 0.00 -0.52 0.00 0.00 52.55 51.74 2cr0 s ASP 49 Cb -0.20 -2.04 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2cr0 s ASP 49 CO -0.03 -0.11 -0.05 -0.63 0.52 0.00 0.00 175.17 174.87 2cr0 s ILE 50 N 1.68 3.66 0.35 4.11 1.01 -1.26 0.32 121.20 131.06 2cr0 s ILE 50 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.31 2cr0 s ILE 50 Cb -0.16 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 2cr0 s ILE 50 CO 0.08 0.49 0.12 0.00 0.00 0.00 0.00 174.94 175.62 2cr0 n GLN 51 N 3.72 0.65 0.19 2.79 1.13 0.24 -4.98 117.38 121.12 2cr0 n GLN 51 Ca -0.18 -2.90 -0.11 0.00 -1.94 0.00 0.00 57.00 51.87 2cr0 n GLN 51 Cb 0.52 1.55 -0.06 0.00 0.11 0.00 0.00 30.24 32.36 2cr0 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2cr0 h ARG 52 N 0.00 -0.61 0.00 -1.09 9.65 -1.97 -3.31 114.38 117.04 2cr0 h ARG 52 Ca -0.27 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.64 2cr0 h ARG 52 Cb 1.02 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.71 2cr0 h ARG 52 CO 0.43 -0.41 -0.51 -2.13 2.80 0.00 0.00 179.97 180.15 2cr0 n ARG 53 N -4.28 1.46 -3.76 0.20 0.63 -1.26 -0.60 116.66 109.04 2cr0 n ARG 53 Ca -0.08 -3.17 -0.13 0.00 -0.92 0.00 0.00 57.85 53.56 2cr0 n ARG 53 Cb 0.29 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 31.58 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 -2.98 -0.27 0.00 -0.14 2.46 -1.25 -1.38 115.29 111.74 2cr0 s HIS 54 Ca 0.37 0.66 0.01 0.00 0.47 0.00 0.00 55.06 56.57 2cr0 s HIS 54 Cb 0.37 0.05 -0.01 0.00 -0.13 0.00 0.00 32.58 32.86 2cr0 s HIS 54 CO -0.07 -0.17 -0.03 -1.17 -2.47 0.00 0.00 174.74 170.83 2cr0 s LEU 55 N 0.68 2.05 -0.00 8.88 2.96 -1.24 0.83 118.68 132.83 2cr0 s LEU 55 Ca -0.05 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 2cr0 s LEU 55 Cb -0.06 -0.13 -0.00 0.00 0.50 0.00 0.00 46.19 46.50 2cr0 s LEU 55 CO -0.04 -0.01 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.37 2cr0 s ARG 56 N -0.32 0.06 -0.06 1.98 3.52 0.15 -3.75 118.95 120.54 2cr0 s ARG 56 Ca -0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 55.73 55.49 2cr0 s ARG 56 Cb -0.03 -0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.32 2cr0 s ARG 56 CO -0.00 0.02 0.19 0.08 -0.81 0.00 0.00 175.30 174.77 2cr0 s VAL 57 N -0.02 0.02 -1.68 7.11 1.01 -0.65 0.16 120.40 126.34 2cr0 s VAL 57 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2cr0 s VAL 57 Cb -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2cr0 s VAL 57 CO -0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2cr0 n GLY 58 N 2.58 -0.68 3.07 4.51 0.00 -0.78 -0.87 105.19 113.02 2cr0 n GLY 58 Ca -0.15 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 2.04 0.07 0.99 1.43 -1.26 -1.55 118.68 120.40 2cr0 s LEU 59 Ca 0.00 -0.23 -0.37 0.00 -1.03 0.00 0.00 54.13 52.50 2cr0 s LEU 59 Cb 0.00 -0.60 -0.18 0.00 0.03 0.00 0.00 46.19 45.44 2cr0 s LEU 59 CO 0.00 0.13 1.14 1.17 0.23 0.00 0.00 176.35 179.02 2cr0 n LYS 60 N 2.72 0.59 0.00 1.70 3.00 0.29 -1.33 118.16 125.13 2cr0 n LYS 60 Ca -0.14 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2cr0 n LYS 60 Cb 0.56 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.86 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 1.98 1.60 3.70 3.14 0.00 -1.26 -4.95 105.19 109.39 2cr0 n GLY 61 Ca 0.18 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 1.22 0.41 1.61 -1.52 -0.44 -4.98 119.66 115.95 2cr0 s GLN 62 Ca 0.00 1.08 -0.25 0.00 -1.95 0.00 0.00 55.36 54.24 2cr0 s GLN 62 Cb 0.00 -1.78 -0.08 0.00 -0.22 0.00 0.00 33.01 30.92 2cr0 s GLN 62 CO 0.00 -2.34 1.19 -1.25 -0.25 0.00 0.00 175.29 172.64 2cr0 s PRO 63 N -4.81 4.01 -0.15 2.91 0.04 -1.26 -4.41 135.00 131.33 2cr0 s PRO 63 Ca 0.64 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2cr0 s PRO 63 Cb -0.20 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 2cr0 s PRO 63 CO 0.58 -0.37 1.56 -1.25 0.04 0.00 0.00 177.00 177.56 2cr0 s PRO 64 N -2.32 4.02 0.24 0.56 0.04 -1.26 -4.41 135.00 131.87 2cr0 s PRO 64 Ca 0.58 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.40 2cr0 s PRO 64 Cb -0.32 -3.97 0.24 0.00 0.04 0.00 0.00 34.50 30.50 2cr0 s PRO 64 CO 0.40 -1.02 1.90 0.28 0.04 0.00 0.00 177.00 178.59 2cr0 h VAL 65 N 5.82 1.26 -3.58 -0.36 2.07 -1.38 -3.39 116.25 116.68 2cr0 h VAL 65 Ca -0.34 -0.53 -0.67 0.00 0.82 0.00 0.00 66.70 65.98 2cr0 h VAL 65 Cb 1.15 -0.12 -0.36 0.00 -1.52 0.00 0.00 31.29 30.44 2cr0 h VAL 65 CO 0.98 0.27 -0.82 -0.69 0.02 0.00 0.00 177.57 177.32 2cr0 s VAL 66 N -6.01 2.11 -0.24 2.57 1.01 -0.91 -5.00 120.40 113.93 2cr0 s VAL 66 Ca -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 2cr0 s VAL 66 Cb 0.17 -2.12 0.11 0.00 0.00 0.00 0.00 36.38 34.54 2cr0 s VAL 66 CO 0.82 0.17 0.22 1.51 0.00 0.00 0.00 175.10 177.82 2cr0 s ASP 67 N 1.18 1.84 0.00 3.32 -4.77 -1.26 -1.64 116.67 115.33 2cr0 s ASP 67 Ca -0.04 -0.56 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 2cr0 s ASP 67 Cb -0.18 0.28 0.00 0.00 -1.09 0.00 0.00 42.92 41.94 2cr0 s ASP 67 CO -0.08 -0.36 0.00 0.61 0.70 0.00 0.00 175.17 176.04 2cr0 n GLY 68 N 5.30 1.07 3.76 2.12 0.00 -1.25 -4.95 105.19 111.26 2cr0 n GLY 68 Ca -0.05 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 3.78 0.38 1.61 2.56 -1.26 -3.73 118.70 120.04 2cr0 s GLU 69 Ca 0.00 2.12 -0.24 0.00 0.00 0.00 0.00 54.97 56.86 2cr0 s GLU 69 Cb 0.00 -2.61 -0.10 0.00 2.00 0.00 0.00 34.13 33.42 2cr0 s GLU 69 CO 0.00 -0.64 0.96 -0.51 -0.56 0.00 0.00 175.26 174.51 2cr0 s LEU 70 N -2.73 4.14 0.29 2.70 1.43 -0.48 -0.81 118.68 123.23 2cr0 s LEU 70 Ca 0.61 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 2cr0 s LEU 70 Cb -0.37 -4.27 0.68 0.00 0.03 0.00 0.00 46.19 42.26 2cr0 s LEU 70 CO 0.47 -0.25 1.75 0.22 0.23 0.00 0.00 176.35 178.77 2cr0 h TYR 71 N 2.54 0.86 -4.07 0.29 3.20 -1.77 -3.45 116.97 114.57 2cr0 h TYR 71 Ca -0.48 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.21 2cr0 h TYR 71 Cb 1.19 -0.24 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 2cr0 h TYR 71 CO 0.61 0.13 -0.24 1.21 -1.64 0.00 0.00 178.16 178.23 2cr0 s ASN 72 N -5.34 0.53 0.39 -2.11 2.47 -1.26 -5.08 114.94 104.55 2cr0 s ASN 72 Ca -0.12 -1.32 -0.26 0.00 0.42 0.00 0.00 52.86 51.58 2cr0 s ASN 72 Cb 0.24 0.60 -0.09 0.00 -1.45 0.00 0.00 41.25 40.55 2cr0 s ASN 72 CO 0.79 -1.18 1.26 -1.61 -3.72 0.00 0.00 177.10 172.63 2cr0 s GLU 73 N -3.50 4.07 -0.07 0.43 2.02 -1.26 -4.72 118.70 115.67 2cr0 s GLU 73 Ca 0.30 2.06 -0.01 0.00 0.02 0.00 0.00 54.97 57.34 2cr0 s GLU 73 Cb 0.01 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.47 2cr0 s GLU 73 CO 0.16 -0.38 -0.01 0.14 0.02 0.00 0.00 175.26 175.20 2cr0 s VAL 74 N -1.28 0.41 -0.95 2.63 -7.23 0.23 -3.40 120.40 110.81 2cr0 s VAL 74 Ca 0.55 0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.66 2cr0 s VAL 74 Cb -0.36 -0.55 -0.28 0.00 0.56 0.00 0.00 36.38 35.75 2cr0 s VAL 74 CO 0.46 0.26 2.27 1.17 -0.31 0.00 0.00 175.10 178.96 2cr0 n LYS 75 N 5.02 0.12 -0.14 4.82 4.81 0.33 -4.46 118.16 128.67 2cr0 n LYS 75 Ca -0.09 -0.14 -0.11 0.00 -0.87 0.00 0.00 58.31 57.10 2cr0 n LYS 75 Cb 0.50 -1.59 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 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 7.27 1.27 0.00 3.15 3.04 -1.87 0.39 116.25 129.50 2cr0 h VAL 76 Ca 0.01 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 2cr0 h VAL 76 Cb 1.14 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2cr0 h VAL 76 CO 1.48 0.38 0.20 -0.62 -1.01 0.00 0.00 177.57 178.00 2cr0 n GLU 77 N -4.37 0.10 -0.04 4.17 1.02 -1.26 -1.71 120.64 118.56 2cr0 n GLU 77 Ca -0.01 0.59 -0.05 0.00 -0.02 0.00 0.00 57.16 57.67 2cr0 n GLU 77 Cb 0.33 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.67 2cr0 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2cr0 n GLU 78 N -2.11 1.09 -1.18 3.49 1.02 -0.95 -5.05 120.64 116.96 2cr0 n GLU 78 Ca -0.01 0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 2cr0 n GLU 78 Cb 0.22 -1.15 0.05 0.00 -0.02 0.00 0.00 31.44 30.54 2cr0 n GLU 78 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2cr0 n SER 79 N -2.56 -3.05 -3.55 1.62 7.64 0.13 -4.96 113.62 108.89 2cr0 n SER 79 Ca -0.12 0.51 -0.08 0.00 1.01 0.00 0.00 58.87 60.19 2cr0 n SER 79 Cb 0.66 -1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr0 s SER 80 N -1.25 -0.32 0.21 6.43 0.01 -1.06 -4.96 113.70 112.77 2cr0 s SER 80 Ca 0.57 0.14 0.04 0.00 1.31 0.00 0.00 55.95 58.01 2cr0 s SER 80 Cb -0.35 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 2cr0 s SER 80 CO 0.66 -0.44 -0.03 -1.66 0.41 0.00 0.00 173.24 172.18 2cr0 s TRP 81 N -2.25 1.50 0.06 2.43 1.48 -1.26 0.20 118.94 121.10 2cr0 s TRP 81 Ca 0.04 -0.88 -0.15 0.00 -1.06 0.00 0.00 56.10 54.05 2cr0 s TRP 81 Cb -0.01 -0.84 0.03 0.00 -1.16 0.00 0.00 33.47 31.48 2cr0 s TRP 81 CO -0.05 -0.00 0.36 -0.48 -4.06 0.00 0.00 176.95 172.72 2cr0 s LEU 82 N -3.28 0.64 -0.09 -4.66 0.05 0.48 -4.98 118.68 106.83 2cr0 s LEU 82 Ca 0.26 -0.18 -0.19 0.00 0.05 0.00 0.00 54.13 54.06 2cr0 s LEU 82 Cb 0.05 1.57 -0.04 0.00 -2.05 0.00 0.00 46.19 45.72 2cr0 s LEU 82 CO 0.07 -0.69 0.52 -0.63 -0.55 0.00 0.00 176.35 175.07 2cr0 s ILE 83 N -2.88 5.13 -0.20 1.48 1.01 -1.26 -0.87 121.20 123.61 2cr0 s ILE 83 Ca -0.03 1.05 -0.07 0.00 0.00 0.00 0.00 60.65 61.61 2cr0 s ILE 83 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2cr0 s ILE 83 CO -0.05 0.33 0.05 -1.61 0.00 0.00 0.00 174.94 173.66 2cr0 s GLU 84 N 0.50 3.80 -0.78 2.79 0.41 0.85 -4.47 118.70 121.80 2cr0 s GLU 84 Ca 0.28 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 2cr0 s GLU 84 Cb -0.16 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 2cr0 s GLU 84 CO 0.12 0.09 0.00 -3.47 -0.49 0.00 0.00 175.26 171.52 2cr0 n ASP 85 N 4.06 -2.79 -1.78 -0.19 2.03 -1.26 -0.52 116.55 116.09 2cr0 n ASP 85 Ca -0.16 0.27 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 2cr0 n ASP 85 Cb 0.52 -2.51 -0.03 0.00 -0.72 0.00 0.00 41.12 38.38 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr0 n GLY 86 N -0.55 0.31 0.00 0.27 0.00 -1.26 -4.63 105.19 99.32 2cr0 n GLY 86 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.10 1.76 -4.37 1.61 2.85 0.32 -1.28 118.16 116.94 2cr0 n LYS 87 Ca -0.10 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.92 2cr0 n LYS 87 Cb 0.43 -0.82 -0.09 0.00 -0.65 0.00 0.00 35.03 33.90 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 -1.64 2.97 -0.33 0.58 1.01 -0.23 -2.01 120.40 120.75 2cr0 s VAL 88 Ca 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 59.89 2cr0 s VAL 88 Cb 0.00 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.92 2cr0 s VAL 88 CO 0.00 -0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.13 2cr0 s VAL 89 N -2.33 1.65 0.16 2.92 1.01 -1.11 -0.11 120.40 122.60 2cr0 s VAL 89 Ca 0.30 -1.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 2cr0 s VAL 89 Cb -0.06 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 2cr0 s VAL 89 CO 0.17 -0.64 0.72 0.42 0.00 0.00 0.00 175.10 175.77 2cr0 s THR 90 N 1.20 4.50 -0.11 3.92 -4.23 -0.05 -2.89 115.64 117.98 2cr0 s THR 90 Ca 0.11 1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 62.10 2cr0 s THR 90 Cb -0.18 -4.02 0.03 0.00 1.34 0.00 0.00 72.50 69.67 2cr0 s THR 90 CO -0.16 0.45 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.64 2cr0 s VAL 91 N -1.24 0.80 -0.08 2.29 1.01 0.02 -0.39 120.40 122.81 2cr0 s VAL 91 Ca 0.36 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2cr0 s VAL 91 Cb -0.21 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2cr0 s VAL 91 CO 0.23 0.29 0.55 -2.28 0.00 0.00 0.00 175.10 173.89 2cr0 s HIS 92 N 1.79 3.56 -0.21 5.22 5.04 0.13 -1.34 115.29 129.50 2cr0 s HIS 92 Ca 0.04 1.03 0.02 0.00 -1.54 0.00 0.00 55.06 54.61 2cr0 s HIS 92 Cb -0.13 -2.61 0.04 0.00 0.04 0.00 0.00 32.58 29.91 2cr0 s HIS 92 CO -0.07 0.19 -0.15 -0.51 -2.34 0.00 0.00 174.74 171.86 2cr0 s LEU 93 N 0.48 2.54 -0.18 8.88 1.43 0.74 -2.57 118.68 130.00 2cr0 s LEU 93 Ca 0.30 -0.91 -0.26 0.00 -1.03 0.00 0.00 54.13 52.22 2cr0 s LEU 93 Cb -0.16 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2cr0 s LEU 93 CO 0.13 -0.08 0.88 -0.70 0.23 0.00 0.00 176.35 176.81 2cr0 s GLU 94 N 1.26 4.29 -0.40 1.70 -6.30 -1.26 -0.20 118.70 117.79 2cr0 s GLU 94 Ca -0.00 1.09 -0.29 0.00 -2.50 0.00 0.00 54.97 53.27 2cr0 s GLU 94 Cb -0.16 -3.59 0.02 0.00 0.00 0.00 0.00 34.13 30.40 2cr0 s GLU 94 CO -0.10 -0.39 1.22 0.15 0.02 0.00 0.00 175.26 176.16 2cr0 s LYS 95 N 2.37 3.80 0.46 4.30 1.02 -1.25 -0.51 119.74 129.93 2cr0 s LYS 95 Ca 0.40 0.88 0.41 0.00 0.02 0.00 0.00 55.97 57.68 2cr0 s LYS 95 Cb -0.16 -3.90 1.46 0.00 -0.52 0.00 0.00 37.83 34.72 2cr0 s LYS 95 CO 0.11 -1.28 1.34 -0.89 -0.92 0.00 0.00 175.35 173.72 2cr0 n ILE 96 N 6.58 -0.03 -3.95 2.17 2.08 -1.22 -3.78 119.36 121.20 2cr0 n ILE 96 Ca 0.14 1.33 -0.23 0.00 0.56 0.00 0.00 62.75 64.54 2cr0 n ILE 96 Cb 0.48 -2.20 -0.17 0.00 -0.75 0.00 0.00 39.64 36.99 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 -3.95 1.59 0.00 4.38 0.01 -1.26 -4.99 114.94 110.72 2cr0 s ASN 97 Ca -0.05 -0.17 0.15 0.00 -0.71 0.00 0.00 52.86 52.08 2cr0 s ASN 97 Cb 0.24 -0.57 0.87 0.00 0.41 0.00 0.00 41.25 42.19 2cr0 s ASN 97 CO 0.76 -0.13 1.34 0.29 -1.51 0.00 0.00 177.10 177.86 2cr0 n LYS 98 N 4.74 0.67 -0.76 -0.60 4.76 -1.25 -2.61 118.16 123.11 2cr0 n LYS 98 Ca -0.14 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.27 2cr0 n LYS 98 Cb 0.50 -1.34 0.21 0.00 -1.84 0.00 0.00 35.03 32.56 2cr0 n LYS 98 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2cr0 n MET 99 N -0.84 1.96 -4.53 1.97 2.81 -1.25 -4.39 117.12 112.86 2cr0 n MET 99 Ca 0.11 -3.14 -0.22 0.00 -1.81 0.00 0.00 57.70 52.64 2cr0 n MET 99 Cb 0.05 -1.82 -0.14 0.00 -0.71 0.00 0.00 33.22 30.60 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 -3.19 1.13 -0.01 0.03 2.56 -1.07 -5.14 118.70 112.99 2cr0 s GLU 100 Ca 0.44 -0.74 0.05 0.00 0.00 0.00 0.00 54.97 54.72 2cr0 s GLU 100 Cb 0.40 -1.15 -0.03 0.00 2.00 0.00 0.00 34.13 35.35 2cr0 s GLU 100 CO 0.01 0.30 -0.14 -1.58 -0.56 0.00 0.00 175.26 173.28 2cr0 s TRP 101 N -0.69 2.68 0.15 5.30 0.52 -1.26 -4.58 118.94 121.06 2cr0 s TRP 101 Ca 0.04 -0.17 -0.02 0.00 0.02 0.00 0.00 56.10 55.97 2cr0 s TRP 101 Cb -0.07 -1.57 -0.05 0.00 -1.15 0.00 0.00 33.47 30.63 2cr0 s TRP 101 CO 0.01 0.23 0.35 -1.58 0.02 0.00 0.00 176.95 175.98 2cr0 s TRP 102 N -0.83 3.49 -0.48 -1.98 0.52 -1.26 -5.01 118.94 113.39 2cr0 s TRP 102 Ca 0.13 0.38 0.10 0.00 0.02 0.00 0.00 56.10 56.73 2cr0 s TRP 102 Cb -0.11 -1.87 -0.12 0.00 -1.15 0.00 0.00 33.47 30.23 2cr0 s TRP 102 CO 0.03 0.44 0.44 -1.71 0.02 0.00 0.00 176.95 176.17 2cr0 n ASN 103 N -0.25 0.58 -3.60 2.95 2.85 -1.26 -4.91 115.26 111.61 2cr0 n ASN 103 Ca -0.04 -0.72 -0.03 0.00 -0.11 0.00 0.00 54.58 53.68 2cr0 n ASN 103 Cb 0.53 1.02 -0.02 0.00 1.24 0.00 0.00 39.78 42.55 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cr0 s ARG 104 N -2.03 0.33 0.03 1.20 1.70 -1.26 -2.49 118.95 116.44 2cr0 s ARG 104 Ca 0.04 -0.14 -0.31 0.00 -0.47 0.00 0.00 55.73 54.84 2cr0 s ARG 104 Cb 0.08 0.14 -0.17 0.00 -0.57 0.00 0.00 34.95 34.43 2cr0 s ARG 104 CO 0.43 -0.15 1.32 1.25 -1.08 0.00 0.00 175.30 177.07 2cr0 h LEU 105 N 2.00 -0.91 0.00 -1.89 7.12 -1.91 -3.40 115.31 116.33 2cr0 h LEU 105 Ca -0.15 0.02 -0.46 0.00 0.13 0.00 0.00 57.88 57.43 2cr0 h LEU 105 Cb 1.18 0.24 -0.10 0.00 -0.53 0.00 0.00 40.66 41.44 2cr0 h LEU 105 CO 0.24 -0.56 -0.38 1.33 -0.13 0.00 0.00 178.44 178.94 2cr0 n VAL 106 N -5.50 0.00 1.51 1.05 0.24 -1.26 -3.43 118.33 110.94 2cr0 n VAL 106 Ca -0.14 -1.95 0.01 0.00 -2.04 0.00 0.00 64.34 60.23 2cr0 n VAL 106 Cb 0.43 0.70 0.04 0.00 -1.47 0.00 0.00 33.84 33.53 2cr0 n VAL 106 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2cr0 n THR 107 N -0.75 0.15 -0.08 3.34 -2.24 0.01 -3.46 114.28 111.25 2cr0 n THR 107 Ca -0.05 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2cr0 n THR 107 Cb 0.50 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 2cr0 n THR 107 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cr0 n SER 108 N -0.18 2.65 -4.83 3.42 2.88 -1.26 -4.99 113.62 111.31 2cr0 n SER 108 Ca 0.03 -0.08 -0.31 0.00 -1.33 0.00 0.00 58.87 57.18 2cr0 n SER 108 Cb 0.14 -0.13 0.04 0.00 -0.75 0.00 0.00 64.21 63.51 2cr0 n SER 108 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2cr0 s ASP 109 N -5.44 5.51 0.94 -3.46 1.47 -1.23 -5.05 116.67 109.41 2cr0 s ASP 109 Ca -0.20 1.50 -0.12 0.00 1.18 0.00 0.00 52.55 54.92 2cr0 s ASP 109 Cb 0.05 -2.41 0.15 0.00 -0.34 0.00 0.00 42.92 40.38 2cr0 s ASP 109 CO 0.39 -1.35 1.09 -2.16 0.68 0.00 0.00 175.17 173.82 2cr0 s PRO 110 N -5.11 0.93 0.43 2.11 0.04 -1.26 -4.85 135.00 127.29 2cr0 s PRO 110 Ca 0.58 0.70 0.06 0.00 0.04 0.00 0.00 61.00 62.37 2cr0 s PRO 110 Cb -0.13 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2cr0 s PRO 110 CO 0.54 -2.43 0.60 -1.21 0.04 0.00 0.00 177.00 174.54 2cr0 s GLU 111 N -4.95 2.84 -0.01 4.56 2.02 -1.26 -4.65 118.70 117.26 2cr0 s GLU 111 Ca 0.64 -1.05 0.01 0.00 0.02 0.00 0.00 54.97 54.60 2cr0 s GLU 111 Cb -0.18 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 2cr0 s GLU 111 CO 0.57 -0.30 -0.04 0.96 0.02 0.00 0.00 175.26 176.47 2cr0 s ILE 112 N -2.42 0.35 -0.85 -1.63 -4.36 -1.04 -5.04 121.20 106.22 2cr0 s ILE 112 Ca 0.53 -0.17 -0.27 0.00 -0.26 0.00 0.00 60.65 60.48 2cr0 s ILE 112 Cb -0.10 -0.31 -0.26 0.00 1.25 0.00 0.00 42.46 43.04 2cr0 s ILE 112 CO 0.34 0.11 1.99 -3.20 0.24 0.00 0.00 174.94 174.42 2cr0 n ASN 113 N 3.09 1.20 -0.21 4.36 5.15 -1.26 -4.69 115.26 122.90 2cr0 n ASN 113 Ca -0.14 -2.47 -0.01 0.00 -0.60 0.00 0.00 54.58 51.36 2cr0 n ASN 113 Cb 0.58 -1.46 0.10 0.00 -0.53 0.00 0.00 39.78 38.46 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2cr0 h THR 114 N 6.35 0.87 -3.18 -0.44 1.35 -1.94 -3.42 112.91 112.50 2cr0 h THR 114 Ca 0.05 -0.18 -0.51 0.00 -0.55 0.00 0.00 66.41 65.22 2cr0 h THR 114 Cb 0.94 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2cr0 h THR 114 CO 1.21 0.09 -0.13 -0.54 -0.25 0.00 0.00 175.52 175.91 2cr0 s LYS 115 N -6.10 3.62 0.02 4.72 1.02 -1.26 -5.11 119.74 116.65 2cr0 s LYS 115 Ca -0.13 -0.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 2cr0 s LYS 115 Cb 0.16 -2.63 0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2cr0 s LYS 115 CO 0.75 0.19 0.46 -1.54 -0.92 0.00 0.00 175.35 174.28 2cr0 s SER 116 N -3.29 -0.36 0.00 2.83 1.04 -1.26 -5.16 113.70 107.50 2cr0 s SER 116 Ca 0.44 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2cr0 s SER 116 Cb -0.11 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2cr0 s SER 116 CO 0.31 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2cr0 n GLY 117 N 0.71 3.76 0.09 7.32 0.00 -1.26 -4.87 105.19 110.94 2cr0 n GLY 117 Ca -0.19 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.32 2cr0 n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr0 n PRO 118 N -1.29 0.14 -1.67 1.61 -0.04 -1.26 -4.82 135.00 127.66 2cr0 n PRO 118 Ca 0.00 0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 63.43 2cr0 n PRO 118 Cb 0.00 -1.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.71 2cr0 n PRO 118 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cr0 n SER 119 N -2.02 2.08 -0.12 3.54 3.41 -1.26 -4.91 113.62 114.34 2cr0 n SER 119 Ca 0.02 1.06 -0.11 0.00 -0.26 0.00 0.00 58.87 59.58 2cr0 n SER 119 Cb 0.21 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.68 2cr0 n SER 119 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2cr0 h SER 120 N 1.78 0.61 -0.01 4.04 4.64 -2.02 -3.51 113.55 119.08 2cr0 h SER 120 Ca -0.47 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2cr0 h SER 120 Cb 1.31 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2cr0 h SER 120 CO 0.58 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.94