#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 0.23 -4.56 1.61 2.88 -1.26 -4.73 113.62 107.78 2cr0 n SER 2 Ca 0.00 0.34 -0.40 0.00 -1.33 0.00 0.00 58.87 57.48 2cr0 n SER 2 Cb 0.00 0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.58 2cr0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr0 s SER 3 N -5.30 6.40 0.00 -3.46 0.15 -1.26 -2.70 113.70 107.53 2cr0 s SER 3 Ca 0.00 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.19 2cr0 s SER 3 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2cr0 s SER 3 CO 0.00 -1.60 0.00 0.61 1.20 0.00 0.00 173.24 173.45 2cr0 n GLY 4 N 6.78 1.85 0.12 9.45 0.00 -1.26 -4.95 105.19 117.17 2cr0 n GLY 4 Ca 0.35 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2cr0 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cr0 h SER 5 N 0.00 0.34 -4.08 1.61 0.87 -1.89 -3.42 113.55 106.98 2cr0 h SER 5 Ca 0.00 -0.84 -0.72 0.00 -1.23 0.00 0.00 61.79 59.00 2cr0 h SER 5 Cb 0.00 -0.11 -0.33 0.00 -0.44 0.00 0.00 62.40 61.52 2cr0 h SER 5 CO 0.00 1.57 -0.26 -0.94 -0.53 0.00 0.00 176.83 176.67 2cr0 s SER 6 N -6.98 5.57 -0.42 6.23 1.04 -1.10 -4.91 113.70 113.14 2cr0 s SER 6 Ca -0.20 -2.83 0.00 0.00 0.48 0.00 0.00 55.95 53.40 2cr0 s SER 6 Cb 0.04 -1.93 0.22 0.00 0.10 0.00 0.00 66.02 64.44 2cr0 s SER 6 CO 0.75 -0.41 0.96 0.61 0.98 0.00 0.00 173.24 176.13 2cr0 n GLY 7 N 3.57 -1.09 3.22 7.32 0.00 -1.26 -4.61 105.19 112.34 2cr0 n GLY 7 Ca 0.09 0.82 -0.23 0.00 0.00 0.00 0.00 46.02 46.70 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 0.80 1.15 0.97 1.61 -2.85 -1.26 -4.98 119.74 115.18 2cr0 s LYS 8 Ca 0.27 -0.93 -0.12 0.00 -1.00 0.00 0.00 55.97 54.19 2cr0 s LYS 8 Cb 0.10 -1.25 0.17 0.00 -2.06 0.00 0.00 37.83 34.79 2cr0 s LYS 8 CO -0.10 0.31 1.09 -1.25 0.10 0.00 0.00 175.35 175.50 2cr0 s PRO 9 N -1.36 0.66 0.25 1.78 0.04 -1.26 -1.45 135.00 133.67 2cr0 s PRO 9 Ca 0.05 0.60 0.03 0.00 0.04 0.00 0.00 61.00 61.72 2cr0 s PRO 9 Cb -0.09 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2cr0 s PRO 9 CO 0.02 -2.60 0.10 0.27 0.04 0.00 0.00 177.00 174.84 2cr0 n ASN 10 N -4.10 0.93 -0.17 6.66 0.23 -1.20 -4.67 115.26 112.95 2cr0 n ASN 10 Ca 0.06 -2.39 -0.02 0.00 -0.53 0.00 0.00 54.58 51.70 2cr0 n ASN 10 Cb 0.57 0.71 0.07 0.00 -2.08 0.00 0.00 39.78 39.05 2cr0 n ASN 10 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2cr0 h LEU 11 N 0.00 0.10 -3.33 -4.53 3.38 -1.98 -1.94 115.31 107.02 2cr0 h LEU 11 Ca -0.20 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2cr0 h LEU 11 Cb 0.77 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2cr0 h LEU 11 CO 0.31 0.08 -0.10 0.61 0.09 0.00 0.00 178.44 179.43 2cr0 n GLY 12 N -1.28 2.56 3.28 0.83 0.00 -1.26 -4.74 105.19 104.57 2cr0 n GLY 12 Ca 0.06 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 1.81 -1.17 0.00 1.61 3.02 -0.73 -2.13 115.26 117.66 2cr0 n ASN 13 Ca 0.12 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 2cr0 n ASN 13 Cb 0.59 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 -0.78 3.19 3.11 7.41 0.00 -1.25 -4.31 105.19 112.57 2cr0 n GLY 14 Ca 0.07 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.61 -0.78 -0.54 4.61 0.00 -0.93 -3.24 121.76 118.27 2cr0 s ALA 15 Ca 0.00 1.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.85 2cr0 s ALA 15 Cb 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 22.02 2cr0 s ALA 15 CO 0.00 -0.68 1.02 -0.51 0.00 0.00 0.00 175.76 175.59 2cr0 s ASP 16 N 2.48 6.41 0.16 0.00 1.01 -0.53 -3.55 116.67 122.65 2cr0 s ASP 16 Ca -0.00 -0.11 0.06 0.00 0.71 0.00 0.00 52.55 53.21 2cr0 s ASP 16 Cb -0.12 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2cr0 s ASP 16 CO -0.10 -1.28 0.05 -0.76 0.21 0.00 0.00 175.17 173.29 2cr0 s LEU 17 N 4.24 3.52 0.52 1.23 1.43 -1.08 -4.30 118.68 124.24 2cr0 s LEU 17 Ca 0.36 -0.28 0.31 0.00 -1.03 0.00 0.00 54.13 53.49 2cr0 s LEU 17 Cb -0.10 -2.16 1.28 0.00 0.03 0.00 0.00 46.19 45.24 2cr0 s LEU 17 CO 0.23 0.09 1.96 1.55 0.23 0.00 0.00 176.35 180.40 2cr0 h PRO 18 N 2.64 0.00 0.05 1.29 0.13 -1.95 -3.04 132.00 131.11 2cr0 h PRO 18 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 2cr0 h PRO 18 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2cr0 h PRO 18 CO 0.60 0.08 -1.81 0.09 -0.23 0.00 0.00 178.00 176.74 2cr0 n ASN 19 N -3.24 1.33 -3.61 1.44 4.13 -1.26 -5.02 115.26 109.04 2cr0 n ASN 19 Ca 0.00 0.35 -0.05 0.00 1.68 0.00 0.00 54.58 56.56 2cr0 n ASN 19 Cb 0.33 -0.36 -0.03 0.00 -1.54 0.00 0.00 39.78 38.17 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 -0.15 -0.07 3.10 -0.85 -1.15 -4.27 117.35 111.39 2cr0 s TYR 20 Ca -0.11 0.18 0.03 0.00 -0.52 0.00 0.00 57.07 56.66 2cr0 s TYR 20 Cb 0.07 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.89 2cr0 s TYR 20 CO 0.81 -0.18 -0.16 -0.98 -1.52 0.00 0.00 175.55 173.52 2cr0 s ARG 21 N -1.69 2.67 -0.02 -3.49 1.70 -0.35 -2.63 118.95 115.14 2cr0 s ARG 21 Ca 0.07 -0.74 -0.05 0.00 -0.47 0.00 0.00 55.73 54.55 2cr0 s ARG 21 Cb -0.01 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 2cr0 s ARG 21 CO -0.05 0.50 0.10 1.67 -1.08 0.00 0.00 175.30 176.44 2cr0 s TRP 22 N -0.41 -0.00 0.24 5.89 1.48 -1.23 0.15 118.94 125.05 2cr0 s TRP 22 Ca 0.04 0.02 0.11 0.00 -1.06 0.00 0.00 56.10 55.21 2cr0 s TRP 22 Cb -0.12 -0.03 -0.05 0.00 -1.16 0.00 0.00 33.47 32.11 2cr0 s TRP 22 CO 0.02 -0.16 -0.19 0.95 -4.06 0.00 0.00 176.95 173.51 2cr0 s THR 23 N -0.69 2.24 -0.03 0.66 -4.23 0.15 -2.18 115.64 111.56 2cr0 s THR 23 Ca -0.08 -2.29 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 2cr0 s THR 23 Cb -0.05 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2cr0 s THR 23 CO 0.00 -0.41 -0.08 0.00 -0.54 0.00 0.00 174.62 173.59 2cr0 s GLN 24 N -3.40 0.98 0.04 3.99 -2.07 -0.91 0.48 119.66 118.76 2cr0 s GLN 24 Ca 0.26 -0.27 0.03 0.00 -1.82 0.00 0.00 55.36 53.56 2cr0 s GLN 24 Cb -0.04 -0.91 -0.02 0.00 -1.09 0.00 0.00 33.01 30.95 2cr0 s GLN 24 CO 0.12 0.07 -0.10 0.95 -1.32 0.00 0.00 175.29 175.01 2cr0 s THR 25 N 0.35 0.73 0.61 3.63 -4.23 0.11 -4.51 115.64 112.33 2cr0 s THR 25 Ca -0.06 -0.92 0.26 0.00 -1.18 0.00 0.00 61.69 59.79 2cr0 s THR 25 Cb -0.10 -0.72 0.38 0.00 1.34 0.00 0.00 72.50 73.40 2cr0 s THR 25 CO 0.01 -0.17 1.29 -0.07 -0.54 0.00 0.00 174.62 175.15 2cr0 h LEU 26 N 4.88 0.00 0.00 4.79 3.38 -1.83 -0.73 115.31 125.80 2cr0 h LEU 26 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2cr0 h LEU 26 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2cr0 h LEU 26 CO 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.92 2cr0 h ALA 27 N 0.52 0.00 -3.99 1.53 0.00 -1.88 -3.36 119.26 112.08 2cr0 h ALA 27 Ca 0.47 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 55.01 2cr0 h ALA 27 Cb 2.88 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 20.65 2cr0 h ALA 27 CO -0.00 0.04 -0.19 -0.85 0.00 0.00 0.00 179.25 178.24 2cr0 n GLU 28 N -2.73 0.51 -4.94 0.00 0.00 -0.28 -3.78 120.64 109.42 2cr0 n GLU 28 Ca -0.01 -2.42 -0.32 0.00 0.00 0.00 0.00 57.16 54.41 2cr0 n GLU 28 Cb 0.02 2.23 -0.16 0.00 0.00 0.00 0.00 31.44 33.52 2cr0 n GLU 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2cr0 s LEU 29 N 0.00 2.18 0.00 -1.84 0.20 0.61 0.06 118.68 119.89 2cr0 s LEU 29 Ca 0.26 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.52 2cr0 s LEU 29 Cb -0.00 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.27 2cr0 s LEU 29 CO 0.19 0.13 0.13 -1.81 -0.29 0.00 0.00 176.35 174.69 2cr0 s ASP 30 N 0.54 5.98 0.02 3.68 1.01 0.18 -0.49 116.67 127.59 2cr0 s ASP 30 Ca -0.13 0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.36 2cr0 s ASP 30 Cb -0.17 -1.79 -0.01 0.00 1.01 0.00 0.00 42.92 41.96 2cr0 s ASP 30 CO 0.04 0.25 -0.04 -0.22 0.21 0.00 0.00 175.17 175.41 2cr0 s LEU 31 N -1.92 2.15 -0.13 1.23 2.96 -0.86 0.32 118.68 122.44 2cr0 s LEU 31 Ca 0.26 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2cr0 s LEU 31 Cb -0.12 -0.08 0.06 0.00 0.50 0.00 0.00 46.19 46.54 2cr0 s LEU 31 CO 0.17 -0.13 0.12 0.00 -1.32 0.00 0.00 176.35 175.19 2cr0 s ALA 32 N -0.87 0.11 -0.51 5.97 0.00 0.12 -1.75 121.76 124.84 2cr0 s ALA 32 Ca -0.07 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 2cr0 s ALA 32 Cb -0.06 -0.94 0.13 0.00 0.00 0.00 0.00 23.12 22.25 2cr0 s ALA 32 CO -0.00 -0.89 0.34 0.08 0.00 0.00 0.00 175.76 175.30 2cr0 s VAL 33 N 2.22 3.81 -0.02 0.00 1.01 -0.87 -1.21 120.40 125.34 2cr0 s VAL 33 Ca 0.04 -2.26 -0.30 0.00 0.00 0.00 0.00 61.98 59.46 2cr0 s VAL 33 Cb -0.14 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2cr0 s VAL 33 CO -0.07 -0.79 1.47 -2.16 0.00 0.00 0.00 175.10 173.54 2cr0 s PRO 34 N 0.81 4.25 -0.03 2.72 0.04 -1.26 -2.53 135.00 139.00 2cr0 s PRO 34 Ca 0.10 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2cr0 s PRO 34 Cb -0.22 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 2cr0 s PRO 34 CO -0.03 -0.66 -0.00 -0.06 0.04 0.00 0.00 177.00 176.29 2cr0 s PHE 35 N 2.85 3.09 -0.75 0.56 0.08 -0.37 -4.94 117.98 118.50 2cr0 s PHE 35 Ca 0.66 0.11 -0.07 0.00 0.12 0.00 0.00 56.93 57.75 2cr0 s PHE 35 Cb -0.32 -1.71 -0.12 0.00 -0.57 0.00 0.00 43.02 40.30 2cr0 s PHE 35 CO 0.27 0.45 3.15 2.89 -0.10 0.00 0.00 175.22 181.88 2cr0 n ARG 36 N 1.68 2.92 -3.94 0.44 1.85 -1.26 -4.76 116.66 113.59 2cr0 n ARG 36 Ca -0.16 -1.87 -0.29 0.00 -1.00 0.00 0.00 57.85 54.53 2cr0 n ARG 36 Cb 0.53 -2.35 -0.04 0.00 -1.05 0.00 0.00 32.46 29.55 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 0.65 5.34 -0.25 8.89 -7.23 -1.26 -5.01 120.40 121.52 2cr0 s VAL 37 Ca 0.65 -0.53 0.16 0.00 -1.81 0.00 0.00 61.98 60.45 2cr0 s VAL 37 Cb 0.27 -3.67 0.45 0.00 0.56 0.00 0.00 36.38 34.00 2cr0 s VAL 37 CO -0.06 0.04 1.35 -0.24 -0.31 0.00 0.00 175.10 175.87 2cr0 n SER 38 N -0.08 3.50 -2.88 4.85 2.88 -1.26 -4.92 113.62 115.71 2cr0 n SER 38 Ca -0.06 -2.89 -0.16 0.00 -1.33 0.00 0.00 58.87 54.43 2cr0 n SER 38 Cb 0.52 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.53 -0.79 -2.88 0.66 -1.74 -1.26 -5.12 117.46 105.80 2cr0 n PHE 39 Ca 0.19 -2.34 -0.42 0.00 -0.56 0.00 0.00 57.45 54.31 2cr0 n PHE 39 Cb 0.78 0.29 -0.04 0.00 1.52 0.00 0.00 39.48 42.03 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 -3.08 3.77 0.29 3.97 6.06 -1.26 -4.35 118.95 124.35 2cr0 s ARG 40 Ca 0.33 0.42 -0.29 0.00 -2.50 0.00 0.00 55.73 53.68 2cr0 s ARG 40 Cb 0.01 -3.81 -0.10 0.00 0.06 0.00 0.00 34.95 31.11 2cr0 s ARG 40 CO 0.23 -0.92 1.30 -0.51 -2.50 0.00 0.00 175.30 172.91 2cr0 s LEU 41 N 3.31 4.43 -0.06 -0.88 1.43 0.13 -5.00 118.68 122.04 2cr0 s LEU 41 Ca 0.35 2.59 0.01 0.00 -1.03 0.00 0.00 54.13 56.05 2cr0 s LEU 41 Cb -0.12 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2cr0 s LEU 41 CO 0.18 -0.51 -0.08 -0.54 0.23 0.00 0.00 176.35 175.63 2cr0 s LYS 42 N -1.26 2.70 0.57 1.70 -0.14 -1.26 -4.80 119.74 117.25 2cr0 s LYS 42 Ca 0.51 -0.58 0.36 0.00 -1.36 0.00 0.00 55.97 54.90 2cr0 s LYS 42 Cb -0.39 -2.55 1.23 0.00 -1.68 0.00 0.00 37.83 34.44 2cr0 s LYS 42 CO 0.48 0.66 1.37 0.41 -0.76 0.00 0.00 175.35 177.51 2cr0 n GLY 43 N 2.21 -0.84 0.13 -3.33 0.00 -1.26 0.16 105.19 102.26 2cr0 n GLY 43 Ca -0.18 0.49 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 2cr0 n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cr0 h LYS 44 N 0.00 0.35 -0.91 1.61 2.10 -2.02 -3.33 116.57 114.38 2cr0 h LYS 44 Ca 0.67 -0.59 0.06 0.00 -2.00 0.00 0.00 60.65 58.79 2cr0 h LYS 44 Cb 3.22 0.22 -0.06 0.00 -0.90 0.00 0.00 32.23 34.71 2cr0 h LYS 44 CO -0.01 1.28 0.59 -0.44 -2.00 0.00 0.00 179.45 178.88 2cr0 h ASP 45 N -0.21 0.91 -3.14 7.07 5.19 0.12 -3.43 116.42 122.93 2cr0 h ASP 45 Ca -0.22 0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.71 2cr0 h ASP 45 Cb 1.82 -0.19 0.02 0.00 0.18 0.00 0.00 39.33 41.16 2cr0 h ASP 45 CO 0.16 0.59 -0.06 0.68 -3.12 0.00 0.00 179.24 177.49 2cr0 s VAL 46 N -5.91 5.02 -0.28 -1.35 -7.23 -0.78 -0.41 120.40 109.45 2cr0 s VAL 46 Ca -0.11 -0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2cr0 s VAL 46 Cb 0.20 -3.86 0.09 0.00 0.56 0.00 0.00 36.38 33.36 2cr0 s VAL 46 CO 0.80 -0.69 0.07 -0.69 -0.31 0.00 0.00 175.10 174.28 2cr0 s VAL 47 N -2.51 0.85 -0.19 1.32 1.01 0.54 -4.62 120.40 116.79 2cr0 s VAL 47 Ca 0.43 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2cr0 s VAL 47 Cb -0.10 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.79 2cr0 s VAL 47 CO 0.40 -0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.18 2cr0 s VAL 48 N 1.66 1.65 -0.30 2.92 1.01 -1.26 -1.14 120.40 124.94 2cr0 s VAL 48 Ca 0.06 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 2cr0 s VAL 48 Cb -0.17 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2cr0 s VAL 48 CO -0.20 0.24 0.07 -0.62 0.00 0.00 0.00 175.10 174.60 2cr0 s ASP 49 N 1.41 5.08 -0.26 3.32 -1.08 -0.27 -4.93 116.67 119.94 2cr0 s ASP 49 Ca 0.00 -0.77 -0.07 0.00 -0.52 0.00 0.00 52.55 51.19 2cr0 s ASP 49 Cb -0.15 -1.86 -0.02 0.00 -1.46 0.00 0.00 42.92 39.43 2cr0 s ASP 49 CO -0.09 -0.20 0.07 -0.63 0.52 0.00 0.00 175.17 174.84 2cr0 s ILE 50 N 1.47 4.19 0.29 4.11 1.01 -1.26 -0.21 121.20 130.80 2cr0 s ILE 50 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2cr0 s ILE 50 Cb -0.17 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 2cr0 s ILE 50 CO 0.02 0.27 0.01 0.00 0.00 0.00 0.00 174.94 175.24 2cr0 n GLN 51 N 4.91 1.23 0.07 2.79 1.13 0.18 -4.97 117.38 122.73 2cr0 n GLN 51 Ca -0.16 -2.15 -0.13 0.00 -1.94 0.00 0.00 57.00 52.62 2cr0 n GLN 51 Cb 0.50 0.62 -0.08 0.00 0.11 0.00 0.00 30.24 31.40 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 -0.15 -0.41 -1.09 9.65 -1.97 -3.35 114.38 117.07 2cr0 h ARG 52 Ca -0.24 0.01 -0.30 0.00 -1.10 0.00 0.00 59.98 58.35 2cr0 h ARG 52 Cb 0.74 0.03 -0.34 0.00 -1.39 0.00 0.00 29.97 29.02 2cr0 h ARG 52 CO 0.40 0.09 -0.89 -2.13 2.80 0.00 0.00 179.97 180.24 2cr0 n ARG 53 N -5.06 2.14 -3.63 0.20 0.63 -1.26 -0.57 116.66 109.11 2cr0 n ARG 53 Ca -0.08 -3.49 -0.13 0.00 -0.92 0.00 0.00 57.85 53.23 2cr0 n ARG 53 Cb 0.17 -1.62 -0.07 0.00 0.45 0.00 0.00 32.46 31.40 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 -3.07 -0.82 0.01 -0.14 2.46 -1.26 -2.05 115.29 110.42 2cr0 s HIS 54 Ca 0.39 1.94 -0.00 0.00 0.47 0.00 0.00 55.06 57.85 2cr0 s HIS 54 Cb 0.37 0.33 -0.01 0.00 -0.13 0.00 0.00 32.58 33.14 2cr0 s HIS 54 CO -0.04 -0.40 -0.01 -1.17 -2.47 0.00 0.00 174.74 170.66 2cr0 s LEU 55 N 0.58 2.11 0.02 8.88 2.96 -1.23 0.52 118.68 132.52 2cr0 s LEU 55 Ca -0.02 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2cr0 s LEU 55 Cb -0.05 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 2cr0 s LEU 55 CO -0.02 -0.18 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.20 2cr0 s ARG 56 N -0.84 0.34 -0.12 1.98 3.52 0.71 -3.70 118.95 120.84 2cr0 s ARG 56 Ca -0.09 -0.65 -0.18 0.00 -0.13 0.00 0.00 55.73 54.68 2cr0 s ARG 56 Cb -0.06 0.12 0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2cr0 s ARG 56 CO -0.01 -0.06 0.46 0.08 -0.81 0.00 0.00 175.30 174.97 2cr0 s VAL 57 N -1.65 0.01 -2.97 7.11 1.01 -0.71 -1.11 120.40 122.10 2cr0 s VAL 57 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2cr0 s VAL 57 Cb -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2cr0 s VAL 57 CO -0.02 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2cr0 n GLY 58 N 2.20 -0.55 3.08 4.51 0.00 -0.29 -0.58 105.19 113.55 2cr0 n GLY 58 Ca -0.16 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 1.85 0.11 0.99 1.43 -1.26 -0.34 118.68 121.46 2cr0 s LEU 59 Ca 0.00 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 2cr0 s LEU 59 Cb 0.00 -0.79 -0.14 0.00 0.03 0.00 0.00 46.19 45.30 2cr0 s LEU 59 CO 0.00 0.11 0.51 1.17 0.23 0.00 0.00 176.35 178.38 2cr0 n LYS 60 N 3.22 0.00 0.00 1.70 3.00 0.45 -0.64 118.16 125.88 2cr0 n LYS 60 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2cr0 n LYS 60 Cb 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.70 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 1.42 1.16 3.67 3.14 0.00 -1.26 -4.91 105.19 108.40 2cr0 n GLY 61 Ca 0.14 -0.01 -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 0.99 0.47 1.61 1.11 0.18 -4.97 119.66 119.05 2cr0 s GLN 62 Ca 0.00 1.33 -0.23 0.00 0.01 0.00 0.00 55.36 56.48 2cr0 s GLN 62 Cb 0.00 -1.74 -0.07 0.00 -1.01 0.00 0.00 33.01 30.19 2cr0 s GLN 62 CO 0.00 -2.58 1.16 -1.25 0.01 0.00 0.00 175.29 172.63 2cr0 s PRO 63 N -4.69 3.71 -0.29 2.91 0.04 -1.26 -4.45 135.00 130.97 2cr0 s PRO 63 Ca 0.66 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 2cr0 s PRO 63 Cb -0.22 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 2cr0 s PRO 63 CO 0.58 -0.58 1.66 -1.25 0.04 0.00 0.00 177.00 177.45 2cr0 s PRO 64 N -2.76 3.57 0.50 0.56 0.04 -1.26 -4.42 135.00 131.23 2cr0 s PRO 64 Ca 0.65 1.46 0.16 0.00 0.04 0.00 0.00 61.00 63.30 2cr0 s PRO 64 Cb -0.28 -4.10 1.21 0.00 0.04 0.00 0.00 34.50 31.37 2cr0 s PRO 64 CO 0.34 -1.57 2.11 -0.24 0.04 0.00 0.00 177.00 177.68 2cr0 h VAL 65 N 6.47 1.02 -3.17 -0.36 3.04 -1.21 -3.39 116.25 118.65 2cr0 h VAL 65 Ca -0.33 -0.18 -0.56 0.00 -1.01 0.00 0.00 66.70 64.63 2cr0 h VAL 65 Cb 1.15 1.10 -0.37 0.00 -2.01 0.00 0.00 31.29 31.16 2cr0 h VAL 65 CO 1.03 0.05 -0.81 -0.69 -1.01 0.00 0.00 177.57 176.13 2cr0 s VAL 66 N -4.94 1.26 -0.24 1.51 1.01 -0.88 -4.99 120.40 113.13 2cr0 s VAL 66 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2cr0 s VAL 66 Cb 0.17 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.44 2cr0 s VAL 66 CO 0.67 0.39 0.43 1.51 0.00 0.00 0.00 175.10 178.11 2cr0 s ASP 67 N 1.61 -0.19 0.00 3.32 -4.77 -1.26 -1.73 116.67 113.65 2cr0 s ASP 67 Ca 0.05 0.58 0.00 0.00 -3.30 0.00 0.00 52.55 49.88 2cr0 s ASP 67 Cb -0.13 1.39 0.00 0.00 -1.09 0.00 0.00 42.92 43.09 2cr0 s ASP 67 CO -0.09 -0.27 0.00 0.61 0.70 0.00 0.00 175.17 176.12 2cr0 n GLY 68 N 5.38 0.86 3.68 2.12 0.00 -1.24 -4.74 105.19 111.26 2cr0 n GLY 68 Ca -0.05 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 4.33 0.18 1.61 2.12 -1.26 -3.54 118.70 120.14 2cr0 s GLU 69 Ca 0.00 1.66 -0.33 0.00 0.36 0.00 0.00 54.97 56.66 2cr0 s GLU 69 Cb 0.00 -3.59 -0.14 0.00 0.26 0.00 0.00 34.13 30.66 2cr0 s GLU 69 CO 0.00 -0.49 1.54 1.28 -0.54 0.00 0.00 175.26 177.06 2cr0 n LEU 70 N 5.42 3.12 -0.35 2.70 4.77 -0.87 -2.12 117.00 129.67 2cr0 n LEU 70 Ca 0.11 1.10 0.26 0.00 -0.03 0.00 0.00 56.01 57.45 2cr0 n LEU 70 Cb 0.46 -1.43 0.51 0.00 -2.33 0.00 0.00 43.42 40.63 2cr0 n LEU 70 CO 0.55 -0.32 1.16 0.22 -1.33 0.00 0.00 177.39 177.67 2cr0 h TYR 71 N 5.56 0.81 -4.22 -1.77 3.20 -1.72 -3.43 116.97 115.41 2cr0 h TYR 71 Ca -0.45 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.26 2cr0 h TYR 71 Cb 1.26 -0.22 -0.12 0.00 1.54 0.00 0.00 36.73 39.19 2cr0 h TYR 71 CO 0.61 -0.14 -0.39 1.21 -1.64 0.00 0.00 178.16 177.82 2cr0 s ASN 72 N -4.89 0.22 0.32 -2.11 2.47 -1.26 -5.08 114.94 104.62 2cr0 s ASN 72 Ca -0.09 -1.25 -0.29 0.00 0.42 0.00 0.00 52.86 51.65 2cr0 s ASN 72 Cb 0.29 0.49 -0.10 0.00 -1.45 0.00 0.00 41.25 40.48 2cr0 s ASN 72 CO 0.80 -1.01 1.29 -1.61 -3.72 0.00 0.00 177.10 172.85 2cr0 s GLU 73 N -3.96 4.38 -0.06 0.43 2.02 -1.26 -4.75 118.70 115.51 2cr0 s GLU 73 Ca 0.32 2.18 0.01 0.00 0.02 0.00 0.00 54.97 57.50 2cr0 s GLU 73 Cb 0.03 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.20 2cr0 s GLU 73 CO 0.13 -0.16 -0.05 0.14 0.02 0.00 0.00 175.26 175.34 2cr0 s VAL 74 N -1.12 0.62 -0.88 2.63 -7.23 0.26 -3.03 120.40 111.66 2cr0 s VAL 74 Ca 0.49 -0.14 -0.21 0.00 -1.81 0.00 0.00 61.98 60.31 2cr0 s VAL 74 Cb -0.39 -0.65 -0.23 0.00 0.56 0.00 0.00 36.38 35.68 2cr0 s VAL 74 CO 0.52 0.25 2.38 1.17 -0.31 0.00 0.00 175.10 179.11 2cr0 n LYS 75 N 4.24 0.28 -0.16 4.82 4.81 0.42 -4.46 118.16 128.10 2cr0 n LYS 75 Ca -0.21 -0.21 -0.11 0.00 -0.87 0.00 0.00 58.31 56.91 2cr0 n LYS 75 Cb 0.51 -2.10 -0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 7.50 1.27 -0.02 3.15 3.04 -1.86 0.45 116.25 129.78 2cr0 h VAL 76 Ca -0.03 -1.29 0.01 0.00 -1.01 0.00 0.00 66.70 64.38 2cr0 h VAL 76 Cb 1.16 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 2cr0 h VAL 76 CO 1.36 0.44 0.10 1.05 -1.01 0.00 0.00 177.57 179.51 2cr0 h GLU 77 N 0.78 0.00 0.00 4.17 4.11 -1.94 -2.33 114.58 119.37 2cr0 h GLU 77 Ca 0.12 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.27 2cr0 h GLU 77 Cb 0.71 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2cr0 h GLU 77 CO 0.05 0.00 -2.05 0.39 0.07 0.00 0.00 179.01 177.47 2cr0 n GLU 78 N -3.21 1.09 -1.53 1.06 -0.58 -0.99 -5.01 120.64 111.47 2cr0 n GLU 78 Ca -0.02 0.04 -0.39 0.00 -0.42 0.00 0.00 57.16 56.37 2cr0 n GLU 78 Cb 0.17 -1.38 0.03 0.00 -0.57 0.00 0.00 31.44 29.69 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 -2.77 -0.08 -3.49 1.62 7.64 0.16 -4.92 113.62 111.76 2cr0 n SER 79 Ca -0.28 0.85 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 2cr0 n SER 79 Cb 0.93 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.05 -0.41 0.23 6.43 0.01 -0.92 -4.94 113.70 113.05 2cr0 s SER 80 Ca 0.68 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.93 2cr0 s SER 80 Cb -0.49 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2cr0 s SER 80 CO 0.54 -0.73 0.14 -1.66 0.41 0.00 0.00 173.24 171.94 2cr0 s TRP 81 N -3.30 1.34 0.16 2.43 1.48 -1.26 0.30 118.94 120.09 2cr0 s TRP 81 Ca 0.04 -1.36 -0.23 0.00 -1.06 0.00 0.00 56.10 53.50 2cr0 s TRP 81 Cb -0.01 -0.68 0.07 0.00 -1.16 0.00 0.00 33.47 31.69 2cr0 s TRP 81 CO -0.10 -0.58 0.60 -0.48 -4.06 0.00 0.00 176.95 172.34 2cr0 s LEU 82 N -3.24 -0.56 0.10 -4.66 0.05 0.03 -4.98 118.68 105.43 2cr0 s LEU 82 Ca 0.39 -0.01 -0.23 0.00 0.05 0.00 0.00 54.13 54.33 2cr0 s LEU 82 Cb 0.07 2.59 -0.07 0.00 -2.05 0.00 0.00 46.19 46.73 2cr0 s LEU 82 CO 0.14 -0.97 0.71 -0.63 -0.55 0.00 0.00 176.35 175.05 2cr0 s ILE 83 N -3.75 4.60 -0.22 1.48 1.01 -1.26 -1.41 121.20 121.65 2cr0 s ILE 83 Ca 0.01 1.53 -0.00 0.00 0.00 0.00 0.00 60.65 62.19 2cr0 s ILE 83 Cb -0.01 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.43 2cr0 s ILE 83 CO -0.13 0.48 -0.11 -1.61 0.00 0.00 0.00 174.94 173.57 2cr0 s GLU 84 N -0.75 2.88 -1.99 2.79 2.02 0.66 -4.62 118.70 119.70 2cr0 s GLU 84 Ca 0.34 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2cr0 s GLU 84 Cb -0.21 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2cr0 s GLU 84 CO 0.23 -0.33 0.00 -3.47 0.02 0.00 0.00 175.26 171.71 2cr0 n ASP 85 N 4.64 -5.68 -0.88 -0.19 -0.08 -1.26 -0.63 116.55 112.47 2cr0 n ASP 85 Ca -0.18 0.25 -0.06 0.00 -1.51 0.00 0.00 54.79 53.29 2cr0 n ASP 85 Cb 0.48 -4.86 -0.03 0.00 2.34 0.00 0.00 41.12 39.05 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr0 n GLY 86 N -0.70 0.59 0.00 0.27 0.00 -1.26 -4.53 105.19 99.56 2cr0 n GLY 86 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.99 3.42 -4.24 1.61 2.85 -0.87 -0.69 118.16 119.25 2cr0 n LYS 87 Ca -0.06 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.05 2cr0 n LYS 87 Cb 0.27 -0.34 -0.10 0.00 -0.65 0.00 0.00 35.03 34.21 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 -0.59 1.16 -0.26 0.58 1.01 0.19 -1.24 120.40 121.25 2cr0 s VAL 88 Ca 0.00 -2.01 -0.00 0.00 0.00 0.00 0.00 61.98 59.97 2cr0 s VAL 88 Cb 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.67 2cr0 s VAL 88 CO 0.00 -0.71 0.03 -0.69 0.00 0.00 0.00 175.10 173.72 2cr0 s VAL 89 N -3.19 1.20 -0.13 2.92 1.01 -1.05 -0.24 120.40 120.91 2cr0 s VAL 89 Ca 0.15 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 2cr0 s VAL 89 Cb 0.02 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2cr0 s VAL 89 CO 0.01 -0.38 0.34 0.42 0.00 0.00 0.00 175.10 175.49 2cr0 s THR 90 N 1.50 5.25 -0.15 3.92 -4.23 -0.50 -2.05 115.64 119.39 2cr0 s THR 90 Ca 0.02 0.66 0.01 0.00 -1.18 0.00 0.00 61.69 61.21 2cr0 s THR 90 Cb -0.18 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.00 2cr0 s THR 90 CO -0.13 0.41 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.48 2cr0 s VAL 91 N 0.24 1.89 -0.35 2.29 1.01 -0.72 -0.79 120.40 123.97 2cr0 s VAL 91 Ca 0.19 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2cr0 s VAL 91 Cb -0.14 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 2cr0 s VAL 91 CO 0.06 0.51 0.48 -2.28 0.00 0.00 0.00 175.10 173.87 2cr0 s HIS 92 N 1.13 3.18 -0.32 5.22 5.04 0.15 -2.04 115.29 127.65 2cr0 s HIS 92 Ca -0.01 0.10 -0.11 0.00 -1.54 0.00 0.00 55.06 53.50 2cr0 s HIS 92 Cb -0.14 -2.87 -0.01 0.00 0.04 0.00 0.00 32.58 29.60 2cr0 s HIS 92 CO -0.07 -0.53 0.18 -0.51 -2.34 0.00 0.00 174.74 171.47 2cr0 s LEU 93 N 2.30 4.24 -0.16 8.88 1.43 0.36 -2.17 118.68 133.55 2cr0 s LEU 93 Ca 0.17 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 2cr0 s LEU 93 Cb -0.16 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2cr0 s LEU 93 CO 0.13 -0.20 0.88 -0.70 0.23 0.00 0.00 176.35 176.68 2cr0 s GLU 94 N 1.65 4.32 -0.18 1.70 2.12 -1.26 -0.29 118.70 126.76 2cr0 s GLU 94 Ca 0.05 1.11 -0.28 0.00 0.36 0.00 0.00 54.97 56.20 2cr0 s GLU 94 Cb -0.17 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.65 2cr0 s GLU 94 CO 0.08 -0.34 0.97 0.15 -0.54 0.00 0.00 175.26 175.58 2cr0 s LYS 95 N 2.17 4.31 0.39 4.30 1.02 -1.25 -0.44 119.74 130.25 2cr0 s LYS 95 Ca 0.40 1.27 0.21 0.00 0.02 0.00 0.00 55.97 57.88 2cr0 s LYS 95 Cb -0.17 -3.60 1.23 0.00 -0.52 0.00 0.00 37.83 34.78 2cr0 s LYS 95 CO 0.13 -0.47 1.66 0.82 -0.92 0.00 0.00 175.35 176.57 2cr0 h ILE 96 N 5.29 0.25 -3.15 2.17 1.08 -1.88 -3.35 117.51 117.92 2cr0 h ILE 96 Ca -0.25 -0.08 -0.61 0.00 -0.39 0.00 0.00 64.86 63.53 2cr0 h ILE 96 Cb 1.10 0.01 -0.35 0.00 -3.07 0.00 0.00 36.82 34.51 2cr0 h ILE 96 CO 0.91 0.04 -0.84 0.20 -0.69 0.00 0.00 178.15 177.77 2cr0 s ASN 97 N -4.79 2.72 0.00 1.72 -0.87 -1.26 -4.98 114.94 107.48 2cr0 s ASN 97 Ca -0.09 -0.50 0.16 0.00 -1.57 0.00 0.00 52.86 50.86 2cr0 s ASN 97 Cb 0.29 -1.22 0.68 0.00 -0.02 0.00 0.00 41.25 40.99 2cr0 s ASN 97 CO 0.80 -0.02 1.51 0.29 -2.57 0.00 0.00 177.10 177.11 2cr0 n LYS 98 N 4.56 0.00 -1.30 -0.60 4.76 -1.26 -2.65 118.16 121.68 2cr0 n LYS 98 Ca -0.18 0.23 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 2cr0 n LYS 98 Cb 0.50 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.32 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 -1.50 2.52 -4.13 1.97 2.81 -1.26 -4.23 117.12 113.30 2cr0 n MET 99 Ca 0.04 -3.27 -0.15 0.00 -1.81 0.00 0.00 57.70 52.51 2cr0 n MET 99 Cb 0.19 -2.19 -0.13 0.00 -0.71 0.00 0.00 33.22 30.38 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 -3.55 0.55 0.27 0.03 2.56 -1.08 -4.98 118.70 112.49 2cr0 s GLU 100 Ca 0.58 -0.58 0.08 0.00 0.00 0.00 0.00 54.97 55.06 2cr0 s GLU 100 Cb 0.48 -0.42 -0.04 0.00 2.00 0.00 0.00 34.13 36.15 2cr0 s GLU 100 CO 0.04 0.10 0.10 -1.58 -0.56 0.00 0.00 175.26 173.35 2cr0 s TRP 101 N -0.91 2.86 -0.08 5.30 0.52 -1.26 -4.52 118.94 120.86 2cr0 s TRP 101 Ca -0.05 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 55.92 2cr0 s TRP 101 Cb -0.07 -1.34 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 2cr0 s TRP 101 CO 0.00 0.54 -0.22 -1.58 0.02 0.00 0.00 176.95 175.71 2cr0 s TRP 102 N -2.26 2.55 -0.74 -1.98 0.52 -1.26 -5.00 118.94 110.77 2cr0 s TRP 102 Ca 0.33 -0.71 0.22 0.00 0.02 0.00 0.00 56.10 55.95 2cr0 s TRP 102 Cb -0.07 -1.66 -0.14 0.00 -1.15 0.00 0.00 33.47 30.45 2cr0 s TRP 102 CO 0.22 -0.21 0.89 -1.71 0.02 0.00 0.00 176.95 176.16 2cr0 n ASN 103 N 3.08 0.70 -3.56 2.95 5.15 -1.26 -4.93 115.26 117.39 2cr0 n ASN 103 Ca -0.18 -0.60 -0.01 0.00 -0.60 0.00 0.00 54.58 53.19 2cr0 n ASN 103 Cb 0.52 1.08 -0.06 0.00 -0.53 0.00 0.00 39.78 40.80 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 -3.14 0.37 0.23 1.20 1.70 -1.26 -2.98 118.95 115.07 2cr0 s ARG 104 Ca 0.04 0.74 -0.12 0.00 -0.47 0.00 0.00 55.73 55.92 2cr0 s ARG 104 Cb 0.15 0.23 0.31 0.00 -0.57 0.00 0.00 34.95 35.08 2cr0 s ARG 104 CO 0.85 -0.09 1.61 1.25 -1.08 0.00 0.00 175.30 177.83 2cr0 h LEU 105 N 6.66 -0.68 -8.09 -1.89 6.46 -1.91 -3.37 115.31 112.49 2cr0 h LEU 105 Ca -0.24 0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.63 2cr0 h LEU 105 Cb 1.16 0.46 -0.13 0.00 -0.73 0.00 0.00 40.66 41.41 2cr0 h LEU 105 CO 0.15 -0.24 -0.41 0.68 -0.62 0.00 0.00 178.44 178.00 2cr0 s VAL 106 N -6.24 0.10 -0.52 1.05 -7.23 -1.26 -3.27 120.40 103.03 2cr0 s VAL 106 Ca -0.14 -1.45 0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2cr0 s VAL 106 Cb 0.22 -1.74 0.11 0.00 0.56 0.00 0.00 36.38 35.53 2cr0 s VAL 106 CO 0.75 -0.45 1.31 0.35 -0.31 0.00 0.00 175.10 176.75 2cr0 n THR 107 N -0.14 1.39 -1.30 5.32 -2.24 -0.90 -1.33 114.28 115.09 2cr0 n THR 107 Ca -0.09 0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 62.02 2cr0 n THR 107 Cb 0.63 -1.63 0.13 0.00 -2.10 0.00 0.00 70.33 67.35 2cr0 n THR 107 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2cr0 n SER 108 N -1.88 5.84 -3.97 3.42 7.64 -1.26 -4.93 113.62 118.48 2cr0 n SER 108 Ca -0.01 -3.71 -0.09 0.00 1.01 0.00 0.00 58.87 56.07 2cr0 n SER 108 Cb 0.06 -0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 62.25 2cr0 n SER 108 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cr0 s ASP 109 N -1.63 0.24 0.29 6.43 -1.08 -0.44 -5.03 116.67 115.45 2cr0 s ASP 109 Ca 0.61 -0.53 -0.29 0.00 -0.52 0.00 0.00 52.55 51.81 2cr0 s ASP 109 Cb 0.49 0.15 -0.10 0.00 -1.46 0.00 0.00 42.92 42.00 2cr0 s ASP 109 CO 0.04 -0.38 1.24 -2.16 0.52 0.00 0.00 175.17 174.43 2cr0 s PRO 110 N -1.95 4.45 0.74 4.34 0.04 -1.26 -4.91 135.00 136.46 2cr0 s PRO 110 Ca -0.11 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2cr0 s PRO 110 Cb -0.06 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.39 2cr0 s PRO 110 CO -0.02 -0.07 1.10 -1.21 0.04 0.00 0.00 177.00 176.83 2cr0 s GLU 111 N -1.37 2.38 -0.01 4.56 8.01 -1.26 -4.80 118.70 126.20 2cr0 s GLU 111 Ca 0.49 1.24 0.01 0.00 0.01 0.00 0.00 54.97 56.72 2cr0 s GLU 111 Cb -0.37 -1.91 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 2cr0 s GLU 111 CO 0.46 -1.56 -0.05 0.96 0.01 0.00 0.00 175.26 175.09 2cr0 s ILE 112 N -2.74 0.41 -0.74 -1.63 -4.36 -1.16 -5.07 121.20 105.91 2cr0 s ILE 112 Ca 0.63 -0.19 -0.26 0.00 -0.26 0.00 0.00 60.65 60.58 2cr0 s ILE 112 Cb -0.18 -0.37 -0.08 0.00 1.25 0.00 0.00 42.46 43.07 2cr0 s ILE 112 CO 0.52 0.13 2.20 0.21 0.24 0.00 0.00 174.94 178.25 2cr0 s ASN 113 N 0.10 4.53 -0.05 4.36 3.84 -1.26 -4.91 114.94 121.56 2cr0 s ASN 113 Ca -0.01 0.08 -0.27 0.00 0.21 0.00 0.00 52.86 52.87 2cr0 s ASN 113 Cb -0.05 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.08 2cr0 s ASN 113 CO -0.00 -3.17 0.86 0.42 -2.79 0.00 0.00 177.10 172.42 2cr0 s THR 114 N 12.20 4.94 -0.10 -5.21 -4.23 -1.26 -4.98 115.64 116.99 2cr0 s THR 114 Ca 0.84 1.78 -0.02 0.00 -1.18 0.00 0.00 61.69 63.10 2cr0 s THR 114 Cb -0.12 -4.19 -0.01 0.00 1.34 0.00 0.00 72.50 69.52 2cr0 s THR 114 CO 0.11 0.18 -0.04 0.11 -0.54 0.00 0.00 174.62 174.43 2cr0 h LYS 115 N 6.85 0.00 -7.17 3.99 1.57 -2.00 -3.47 116.57 116.33 2cr0 h LYS 115 Ca -0.39 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.85 2cr0 h LYS 115 Cb 1.20 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.67 2cr0 h LYS 115 CO 0.77 0.00 0.40 0.45 -0.57 0.00 0.00 179.45 180.50 2cr0 s SER 116 N -5.38 4.14 0.00 0.86 0.15 -1.26 -4.90 113.70 107.31 2cr0 s SER 116 Ca -0.04 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2cr0 s SER 116 Cb 0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2cr0 s SER 116 CO 0.05 -2.30 0.00 0.61 1.20 0.00 0.00 173.24 172.80 2cr0 n GLY 117 N 0.48 -2.01 3.62 9.45 0.00 -1.26 -4.98 105.19 110.49 2cr0 n GLY 117 Ca 0.14 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.46 2cr0 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr0 s PRO 118 N -0.39 -0.74 -0.58 1.61 0.04 -1.26 -4.80 135.00 128.88 2cr0 s PRO 118 Ca 0.00 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 60.89 2cr0 s PRO 118 Cb 0.00 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.94 2cr0 s PRO 118 CO 0.00 -3.43 1.10 -1.12 0.04 0.00 0.00 177.00 173.59 2cr0 s SER 119 N -3.74 6.39 0.04 6.66 0.01 -1.26 -4.98 113.70 116.81 2cr0 s SER 119 Ca 0.69 -0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.55 2cr0 s SER 119 Cb -0.13 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 2cr0 s SER 119 CO 0.57 -1.41 1.83 -0.94 0.41 0.00 0.00 173.24 173.69 2cr0 s SER 120 N 2.97 6.52 0.00 2.44 1.04 -1.26 -5.31 113.70 120.09 2cr0 s SER 120 Ca 0.38 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.37 2cr0 s SER 120 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2cr0 s SER 120 CO 0.22 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.06