#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 6.88 -0.63 1.61 0.01 -1.26 -4.99 113.70 115.32 2cr0 s SER 2 Ca 0.00 2.30 -0.06 0.00 1.31 0.00 0.00 55.95 59.50 2cr0 s SER 2 Cb 0.00 -2.59 0.16 0.00 0.21 0.00 0.00 66.02 63.80 2cr0 s SER 2 CO 0.00 -0.59 0.48 -0.55 0.41 0.00 0.00 173.24 172.99 2cr0 s SER 3 N 0.91 5.63 -0.41 2.44 0.15 -1.26 -4.96 113.70 116.20 2cr0 s SER 3 Ca 0.62 -2.64 0.05 0.00 0.70 0.00 0.00 55.95 54.68 2cr0 s SER 3 Cb -0.36 -1.95 0.19 0.00 -1.71 0.00 0.00 66.02 62.20 2cr0 s SER 3 CO 0.32 -0.47 0.41 0.61 1.20 0.00 0.00 173.24 175.31 2cr0 n GLY 4 N 3.86 2.24 3.65 9.45 0.00 -1.26 -5.12 105.19 118.01 2cr0 n GLY 4 Ca 0.06 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 2cr0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr0 s SER 5 N -0.30 4.88 0.03 1.61 0.01 -1.26 -5.13 113.70 113.55 2cr0 s SER 5 Ca 0.33 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2cr0 s SER 5 Cb 0.08 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.11 2cr0 s SER 5 CO -0.17 0.23 -0.04 -0.44 0.41 0.00 0.00 173.24 173.23 2cr0 s SER 6 N -1.85 0.42 0.00 2.44 0.01 -1.26 -5.08 113.70 108.38 2cr0 s SER 6 Ca 0.21 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2cr0 s SER 6 Cb -0.11 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2cr0 s SER 6 CO 0.13 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2cr0 n GLY 7 N 1.23 0.95 3.54 3.44 0.00 -1.26 -5.07 105.19 108.03 2cr0 n GLY 7 Ca -0.21 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.91 1.97 -0.48 1.61 0.00 -1.26 -4.87 119.74 115.80 2cr0 s LYS 8 Ca 0.00 -1.25 -0.27 0.00 0.00 0.00 0.00 55.97 54.45 2cr0 s LYS 8 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 37.83 35.68 2cr0 s LYS 8 CO 0.00 0.45 1.78 -1.25 0.00 0.00 0.00 175.35 176.33 2cr0 s PRO 9 N -2.63 3.00 0.92 1.78 0.04 -1.26 -2.44 135.00 134.42 2cr0 s PRO 9 Ca 0.23 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2cr0 s PRO 9 Cb -0.09 -4.27 0.14 0.00 0.04 0.00 0.00 34.50 30.32 2cr0 s PRO 9 CO 0.14 -2.27 1.11 -0.80 0.04 0.00 0.00 177.00 175.22 2cr0 s ASN 10 N 6.85 3.34 0.36 6.66 0.01 -1.15 -4.82 114.94 126.19 2cr0 s ASN 10 Ca 0.71 1.18 0.16 0.00 -0.71 0.00 0.00 52.86 54.21 2cr0 s ASN 10 Cb -0.16 -1.83 1.09 0.00 0.41 0.00 0.00 41.25 40.76 2cr0 s ASN 10 CO 0.27 -2.68 1.70 -0.07 -1.51 0.00 0.00 177.10 174.80 2cr0 h LEU 11 N -1.58 0.50 -2.87 0.60 4.07 -1.94 0.37 115.31 114.46 2cr0 h LEU 11 Ca -0.51 0.15 -0.12 0.00 0.08 0.00 0.00 57.88 57.47 2cr0 h LEU 11 Cb 1.31 0.08 -0.06 0.00 1.08 0.00 0.00 40.66 43.08 2cr0 h LEU 11 CO 0.59 -0.04 0.16 0.61 -1.08 0.00 0.00 178.44 178.68 2cr0 n GLY 12 N -1.37 2.89 3.33 0.83 0.00 -1.26 -4.79 105.19 104.82 2cr0 n GLY 12 Ca 0.30 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 0.67 -1.70 0.00 1.61 3.02 0.13 -0.02 115.26 118.97 2cr0 n ASN 13 Ca 0.12 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2cr0 n ASN 13 Cb 0.61 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 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 -0.79 2.70 2.85 7.41 0.00 -1.22 -4.40 105.19 111.74 2cr0 n GLY 14 Ca 0.04 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.75 -0.18 -0.58 4.61 0.00 -1.03 -2.94 121.76 118.89 2cr0 s ALA 15 Ca 0.00 0.58 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 2cr0 s ALA 15 Cb 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.36 2cr0 s ALA 15 CO 0.00 -0.53 1.13 0.34 0.00 0.00 0.00 175.76 176.69 2cr0 s ASP 16 N 2.20 6.41 0.14 0.00 2.15 -1.02 -3.71 116.67 122.84 2cr0 s ASP 16 Ca 0.02 -0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.03 2cr0 s ASP 16 Cb -0.12 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 2cr0 s ASP 16 CO -0.06 -1.42 0.02 -0.76 -0.17 0.00 0.00 175.17 172.78 2cr0 s LEU 17 N 4.70 3.43 0.44 -1.34 1.43 -1.12 -4.11 118.68 122.11 2cr0 s LEU 17 Ca 0.39 -0.28 0.23 0.00 -1.03 0.00 0.00 54.13 53.45 2cr0 s LEU 17 Cb -0.09 -2.11 0.99 0.00 0.03 0.00 0.00 46.19 45.01 2cr0 s LEU 17 CO 0.23 0.12 1.87 1.55 0.23 0.00 0.00 176.35 180.35 2cr0 h PRO 18 N 2.96 0.00 0.11 1.29 0.13 -2.00 -3.09 132.00 131.39 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 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2cr0 h PRO 18 CO 0.59 0.24 -1.63 -0.91 -0.23 0.00 0.00 178.00 176.06 2cr0 h ASN 19 N 0.00 0.35 -4.05 1.44 4.21 -1.97 -3.49 115.58 112.07 2cr0 h ASN 19 Ca -0.00 -0.56 0.12 0.00 1.21 0.00 0.00 56.30 57.08 2cr0 h ASN 19 Cb 0.67 -0.12 -0.22 0.00 -1.12 0.00 0.00 38.32 37.53 2cr0 h ASN 19 CO 0.03 1.47 0.62 -0.72 -1.29 0.00 0.00 177.43 177.55 2cr0 s TYR 20 N -2.60 -0.30 -0.08 1.19 -0.85 -1.17 -4.23 117.35 109.31 2cr0 s TYR 20 Ca -0.11 0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.92 2cr0 s TYR 20 Cb 0.07 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 2cr0 s TYR 20 CO 0.84 -0.31 -0.15 -0.98 -1.52 0.00 0.00 175.55 173.42 2cr0 s ARG 21 N -1.46 2.81 -0.02 -3.49 1.70 0.05 -2.80 118.95 115.73 2cr0 s ARG 21 Ca 0.02 -0.72 -0.02 0.00 -0.47 0.00 0.00 55.73 54.54 2cr0 s ARG 21 Cb -0.01 -2.43 0.01 0.00 -0.57 0.00 0.00 34.95 31.95 2cr0 s ARG 21 CO -0.02 0.45 0.06 1.67 -1.08 0.00 0.00 175.30 176.38 2cr0 s TRP 22 N -0.28 -0.06 0.09 5.89 1.48 -1.24 0.74 118.94 125.56 2cr0 s TRP 22 Ca 0.02 0.17 0.10 0.00 -1.06 0.00 0.00 56.10 55.32 2cr0 s TRP 22 Cb -0.13 -0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.13 2cr0 s TRP 22 CO 0.03 -0.05 -0.25 0.95 -4.06 0.00 0.00 176.95 173.57 2cr0 s THR 23 N 0.24 2.36 -0.02 0.66 -4.23 0.14 -2.46 115.64 112.33 2cr0 s THR 23 Ca -0.02 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2cr0 s THR 23 Cb -0.03 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 2cr0 s THR 23 CO -0.01 0.20 -0.22 0.00 -0.54 0.00 0.00 174.62 174.05 2cr0 s GLN 24 N -1.76 1.81 0.01 3.99 -2.07 0.96 0.65 119.66 123.25 2cr0 s GLN 24 Ca 0.14 -0.79 0.01 0.00 -1.82 0.00 0.00 55.36 52.90 2cr0 s GLN 24 Cb -0.10 -1.74 -0.01 0.00 -1.09 0.00 0.00 33.01 30.06 2cr0 s GLN 24 CO 0.05 0.48 -0.04 0.95 -1.32 0.00 0.00 175.29 175.41 2cr0 s THR 25 N -0.52 0.27 0.50 3.63 -4.23 0.41 -4.09 115.64 111.61 2cr0 s THR 25 Ca 0.08 -0.54 0.37 0.00 -1.18 0.00 0.00 61.69 60.43 2cr0 s THR 25 Cb -0.09 -0.31 0.55 0.00 1.34 0.00 0.00 72.50 74.00 2cr0 s THR 25 CO -0.01 -0.18 1.28 0.18 -0.54 0.00 0.00 174.62 175.35 2cr0 n LEU 26 N 2.30 0.00 -0.01 4.79 4.77 -1.26 -0.77 117.00 126.81 2cr0 n LEU 26 Ca -0.18 0.80 -0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2cr0 n LEU 26 Cb 0.57 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2cr0 n LEU 26 CO 0.23 -0.80 -0.00 0.00 -1.33 0.00 0.00 177.39 175.49 2cr0 h ALA 27 N 0.73 0.00 -2.93 -1.18 0.00 -1.88 -3.35 119.26 110.65 2cr0 h ALA 27 Ca 0.69 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.39 2cr0 h ALA 27 Cb 3.06 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.78 2cr0 h ALA 27 CO -0.01 0.00 -0.11 -1.83 0.00 0.00 0.00 179.25 177.30 2cr0 s GLU 28 N -1.14 1.93 0.35 0.00 1.03 0.05 -3.79 118.70 117.13 2cr0 s GLU 28 Ca -0.00 -1.66 0.08 0.00 0.03 0.00 0.00 54.97 53.42 2cr0 s GLU 28 Cb 0.00 0.48 -0.04 0.00 -0.80 0.00 0.00 34.13 33.77 2cr0 s GLU 28 CO 0.00 -0.82 0.18 -1.17 -1.33 0.00 0.00 175.26 172.12 2cr0 s LEU 29 N -3.19 3.29 -0.10 1.83 0.20 0.66 -0.45 118.68 120.92 2cr0 s LEU 29 Ca 0.27 -0.77 -0.06 0.00 0.69 0.00 0.00 54.13 54.26 2cr0 s LEU 29 Cb -0.01 -1.78 0.04 0.00 -0.43 0.00 0.00 46.19 44.01 2cr0 s LEU 29 CO 0.18 -0.35 0.25 -1.81 -0.29 0.00 0.00 176.35 174.32 2cr0 s ASP 30 N -3.89 -0.26 -0.06 3.68 1.11 0.21 -1.84 116.67 115.62 2cr0 s ASP 30 Ca 0.39 0.52 0.04 0.00 0.18 0.00 0.00 52.55 53.68 2cr0 s ASP 30 Cb -0.02 0.43 -0.00 0.00 1.07 0.00 0.00 42.92 44.40 2cr0 s ASP 30 CO 0.23 -0.14 -0.20 -0.22 1.18 0.00 0.00 175.17 176.02 2cr0 s LEU 31 N 0.97 1.96 -0.14 1.23 2.96 -0.77 0.27 118.68 125.15 2cr0 s LEU 31 Ca -0.07 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2cr0 s LEU 31 Cb -0.08 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.48 2cr0 s LEU 31 CO -0.06 0.16 -0.12 0.00 -1.32 0.00 0.00 176.35 175.01 2cr0 s ALA 32 N 0.14 1.70 -0.48 5.97 0.00 0.23 -0.26 121.76 129.05 2cr0 s ALA 32 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2cr0 s ALA 32 Cb -0.14 -1.03 0.13 0.00 0.00 0.00 0.00 23.12 22.07 2cr0 s ALA 32 CO 0.04 -0.44 0.27 0.08 0.00 0.00 0.00 175.76 175.71 2cr0 s VAL 33 N 1.55 3.23 0.04 0.00 1.01 -1.21 -0.77 120.40 124.24 2cr0 s VAL 33 Ca 0.04 -2.51 -0.30 0.00 0.00 0.00 0.00 61.98 59.21 2cr0 s VAL 33 Cb -0.13 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 2cr0 s VAL 33 CO -0.10 -0.75 1.42 -2.16 0.00 0.00 0.00 175.10 173.52 2cr0 s PRO 34 N 0.59 4.28 -0.25 2.72 0.04 -1.26 -3.07 135.00 138.06 2cr0 s PRO 34 Ca 0.12 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2cr0 s PRO 34 Cb -0.22 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 30.85 2cr0 s PRO 34 CO -0.04 -0.56 -0.07 -0.06 0.04 0.00 0.00 177.00 176.31 2cr0 s PHE 35 N 2.11 3.06 -0.95 0.56 0.08 -0.86 -4.95 117.98 117.03 2cr0 s PHE 35 Ca 0.65 -1.60 -0.27 0.00 0.12 0.00 0.00 56.93 55.83 2cr0 s PHE 35 Cb -0.34 -2.05 -0.25 0.00 -0.57 0.00 0.00 43.02 39.82 2cr0 s PHE 35 CO 0.28 -0.74 2.03 0.54 -0.10 0.00 0.00 175.22 177.23 2cr0 n ARG 36 N 4.65 0.21 -4.51 0.44 1.74 -1.26 -4.76 116.66 113.17 2cr0 n ARG 36 Ca -0.17 -1.68 -0.28 0.00 -0.77 0.00 0.00 57.85 54.96 2cr0 n ARG 36 Cb 0.47 -3.74 -0.13 0.00 -1.02 0.00 0.00 32.46 28.03 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2cr0 s VAL 37 N 15.57 2.09 -1.37 1.55 -7.23 -1.26 -5.02 120.40 124.72 2cr0 s VAL 37 Ca 0.79 -1.59 0.17 0.00 -1.81 0.00 0.00 61.98 59.53 2cr0 s VAL 37 Cb -0.02 -1.84 0.50 0.00 0.56 0.00 0.00 36.38 35.58 2cr0 s VAL 37 CO 0.21 0.14 1.42 -1.20 -0.31 0.00 0.00 175.10 175.35 2cr0 n SER 38 N 1.21 3.59 -3.47 4.85 7.64 -1.26 -4.95 113.62 121.23 2cr0 n SER 38 Ca -0.18 -2.08 -0.21 0.00 1.01 0.00 0.00 58.87 57.41 2cr0 n SER 38 Cb 0.53 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2cr0 n PHE 39 N 1.03 0.09 -3.03 1.43 -1.74 -1.26 -5.13 117.46 108.84 2cr0 n PHE 39 Ca 0.19 -2.22 -0.40 0.00 -0.56 0.00 0.00 57.45 54.47 2cr0 n PHE 39 Cb 0.57 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.53 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 -3.31 4.45 -0.06 3.97 3.52 -1.26 -4.56 118.95 121.70 2cr0 s ARG 40 Ca 0.18 0.96 -0.22 0.00 -0.13 0.00 0.00 55.73 56.52 2cr0 s ARG 40 Cb 0.01 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2cr0 s ARG 40 CO 0.13 0.21 0.65 -0.51 -0.81 0.00 0.00 175.30 174.97 2cr0 s LEU 41 N 0.26 4.33 -0.11 -0.88 1.43 -0.03 -5.01 118.68 118.68 2cr0 s LEU 41 Ca 0.37 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 2cr0 s LEU 41 Cb -0.19 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2cr0 s LEU 41 CO 0.20 -0.06 -0.04 -0.54 0.23 0.00 0.00 176.35 176.15 2cr0 s LYS 42 N 0.60 3.20 0.45 1.70 -0.14 -1.26 -4.77 119.74 119.52 2cr0 s LYS 42 Ca 0.35 -0.50 0.36 0.00 -1.36 0.00 0.00 55.97 54.82 2cr0 s LYS 42 Cb -0.17 -2.78 1.47 0.00 -1.68 0.00 0.00 37.83 34.66 2cr0 s LYS 42 CO 0.17 0.50 1.45 0.41 -0.76 0.00 0.00 175.35 177.12 2cr0 n GLY 43 N 2.75 -0.83 0.18 -3.33 0.00 -1.26 0.23 105.19 102.93 2cr0 n GLY 43 Ca -0.18 0.69 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 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 0.59 -0.88 1.61 2.10 -2.03 -3.23 116.57 114.74 2cr0 h LYS 44 Ca 0.84 -0.61 0.07 0.00 -2.00 0.00 0.00 60.65 58.96 2cr0 h LYS 44 Cb 2.95 0.17 -0.06 0.00 -0.90 0.00 0.00 32.23 34.39 2cr0 h LYS 44 CO -0.29 1.22 0.57 -0.44 -2.00 0.00 0.00 179.45 178.51 2cr0 h ASP 45 N 0.35 0.84 -1.68 7.07 3.32 0.26 -3.43 116.42 123.14 2cr0 h ASP 45 Ca -0.10 0.01 -0.45 0.00 0.02 0.00 0.00 57.03 56.51 2cr0 h ASP 45 Cb 1.60 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2cr0 h ASP 45 CO 0.18 0.53 -0.35 0.68 -1.72 0.00 0.00 179.24 178.56 2cr0 s VAL 46 N -5.85 3.49 -0.23 -1.35 -7.23 -0.97 -1.09 120.40 107.17 2cr0 s VAL 46 Ca -0.11 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2cr0 s VAL 46 Cb 0.20 -3.20 0.07 0.00 0.56 0.00 0.00 36.38 34.01 2cr0 s VAL 46 CO 0.79 -0.10 0.07 -0.69 -0.31 0.00 0.00 175.10 174.86 2cr0 s VAL 47 N -2.29 0.45 -0.21 1.32 1.01 0.21 -4.52 120.40 116.38 2cr0 s VAL 47 Ca 0.47 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2cr0 s VAL 47 Cb -0.08 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2cr0 s VAL 47 CO 0.30 -0.39 -0.12 -0.69 0.00 0.00 0.00 175.10 174.21 2cr0 s VAL 48 N 1.87 1.84 -0.28 2.92 1.01 -1.26 -1.54 120.40 124.96 2cr0 s VAL 48 Ca 0.03 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 2cr0 s VAL 48 Cb -0.17 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2cr0 s VAL 48 CO -0.16 0.15 0.09 -0.62 0.00 0.00 0.00 175.10 174.56 2cr0 s ASP 49 N 1.30 5.18 -0.17 3.32 -1.08 0.15 -4.95 116.67 120.43 2cr0 s ASP 49 Ca -0.03 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.53 2cr0 s ASP 49 Cb -0.17 -1.92 -0.03 0.00 -1.46 0.00 0.00 42.92 39.34 2cr0 s ASP 49 CO -0.08 -0.12 -0.02 -0.63 0.52 0.00 0.00 175.17 174.84 2cr0 s ILE 50 N 1.57 3.97 0.33 4.11 1.01 -1.26 0.25 121.20 131.19 2cr0 s ILE 50 Ca 0.05 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.39 2cr0 s ILE 50 Cb -0.16 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2cr0 s ILE 50 CO 0.04 0.48 0.06 0.00 0.00 0.00 0.00 174.94 175.52 2cr0 n GLN 51 N 3.66 0.86 0.20 2.79 6.02 0.29 -5.00 117.38 126.19 2cr0 n GLN 51 Ca -0.17 -2.60 -0.15 0.00 -0.01 0.00 0.00 57.00 54.07 2cr0 n GLN 51 Cb 0.52 1.10 -0.08 0.00 1.02 0.00 0.00 30.24 32.81 2cr0 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2cr0 h ARG 52 N 0.00 -0.43 0.00 -1.09 9.65 -1.98 -3.33 114.38 117.20 2cr0 h ARG 52 Ca -0.26 0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.57 2cr0 h ARG 52 Cb 0.91 0.10 -0.16 0.00 -1.39 0.00 0.00 29.97 29.43 2cr0 h ARG 52 CO 0.43 -0.29 -0.67 -2.13 2.80 0.00 0.00 179.97 180.11 2cr0 n ARG 53 N -5.29 0.77 -3.76 0.20 0.63 -1.26 -0.37 116.66 107.58 2cr0 n ARG 53 Ca -0.10 -2.48 -0.12 0.00 -0.92 0.00 0.00 57.85 54.22 2cr0 n ARG 53 Cb 0.20 -0.85 -0.12 0.00 0.45 0.00 0.00 32.46 32.14 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 -1.59 -0.32 -0.00 -0.14 2.46 -1.25 0.03 115.29 114.48 2cr0 s HIS 54 Ca 0.32 0.75 0.02 0.00 0.47 0.00 0.00 55.06 56.62 2cr0 s HIS 54 Cb 0.33 0.08 -0.01 0.00 -0.13 0.00 0.00 32.58 32.86 2cr0 s HIS 54 CO -0.09 -0.19 -0.06 -1.17 -2.47 0.00 0.00 174.74 170.76 2cr0 s LEU 55 N 0.68 2.02 -0.02 8.88 2.96 -1.22 0.11 118.68 132.08 2cr0 s LEU 55 Ca -0.04 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2cr0 s LEU 55 Cb -0.06 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.34 2cr0 s LEU 55 CO -0.04 0.06 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.42 2cr0 s ARG 56 N -0.19 0.44 0.00 1.98 3.52 0.14 -3.79 118.95 121.04 2cr0 s ARG 56 Ca 0.02 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 2cr0 s ARG 56 Cb -0.03 -0.48 -0.00 0.00 -1.56 0.00 0.00 34.95 32.88 2cr0 s ARG 56 CO -0.00 -0.00 -0.01 0.08 -0.81 0.00 0.00 175.30 174.56 2cr0 s VAL 57 N 0.42 0.05 0.00 7.11 1.01 -0.85 0.33 120.40 128.47 2cr0 s VAL 57 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2cr0 s VAL 57 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2cr0 s VAL 57 CO -0.01 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2cr0 n GLY 58 N 3.00 2.33 3.72 4.51 0.00 -0.59 0.51 105.19 118.68 2cr0 n GLY 58 Ca -0.13 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 4.39 0.00 0.99 2.01 -1.26 0.68 118.68 125.49 2cr0 s LEU 59 Ca 0.00 2.28 0.00 0.00 0.01 0.00 0.00 54.13 56.42 2cr0 s LEU 59 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.60 2cr0 s LEU 59 CO 0.00 -0.54 0.51 1.17 1.01 0.00 0.00 176.35 178.50 2cr0 n LYS 60 N 3.34 0.00 -1.18 1.70 0.00 -0.25 -0.22 118.16 121.54 2cr0 n LYS 60 Ca 0.08 0.51 -0.33 0.00 0.00 0.00 0.00 58.31 58.58 2cr0 n LYS 60 Cb 0.43 -0.80 -0.05 0.00 0.00 0.00 0.00 35.03 34.61 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 -0.95 3.90 3.61 3.14 0.00 -1.26 -4.79 105.19 108.83 2cr0 n GLY 61 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 2.16 0.36 0.60 1.61 -0.21 0.69 -5.17 119.66 119.70 2cr0 s GLN 62 Ca 0.65 -0.17 -0.17 0.00 0.02 0.00 0.00 55.36 55.69 2cr0 s GLN 62 Cb 0.19 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 2cr0 s GLN 62 CO -0.05 -0.16 1.12 -1.25 -2.12 0.00 0.00 175.29 172.83 2cr0 s PRO 63 N -2.43 3.09 -0.37 2.91 0.04 -1.26 -4.46 135.00 132.52 2cr0 s PRO 63 Ca 0.12 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 2cr0 s PRO 63 Cb 0.02 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2cr0 s PRO 63 CO -0.04 -1.04 1.71 -1.25 0.04 0.00 0.00 177.00 176.42 2cr0 s PRO 64 N -3.68 3.34 0.49 0.56 0.04 -1.26 -4.30 135.00 130.19 2cr0 s PRO 64 Ca 0.70 1.24 0.18 0.00 0.04 0.00 0.00 61.00 63.16 2cr0 s PRO 64 Cb -0.22 -4.17 1.20 0.00 0.04 0.00 0.00 34.50 31.35 2cr0 s PRO 64 CO 0.34 -1.86 2.03 0.28 0.04 0.00 0.00 177.00 177.84 2cr0 h VAL 65 N 6.73 0.88 -3.49 -0.36 2.07 -0.31 -3.36 116.25 118.41 2cr0 h VAL 65 Ca -0.32 -0.06 -0.59 0.00 0.82 0.00 0.00 66.70 66.55 2cr0 h VAL 65 Cb 1.15 0.69 -0.39 0.00 -1.52 0.00 0.00 31.29 31.23 2cr0 h VAL 65 CO 1.06 0.03 -0.77 -0.69 0.02 0.00 0.00 177.57 177.22 2cr0 s VAL 66 N -5.19 1.27 -0.28 2.57 1.01 -0.85 -4.99 120.40 113.95 2cr0 s VAL 66 Ca -0.06 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 2cr0 s VAL 66 Cb 0.19 -1.68 0.09 0.00 0.00 0.00 0.00 36.38 34.98 2cr0 s VAL 66 CO 0.72 -0.25 0.08 -0.62 0.00 0.00 0.00 175.10 175.03 2cr0 s ASP 67 N 1.49 3.69 -0.14 3.32 2.15 -1.26 -2.01 116.67 123.91 2cr0 s ASP 67 Ca -0.01 -1.38 -0.34 0.00 0.43 0.00 0.00 52.55 51.25 2cr0 s ASP 67 Cb -0.18 -0.75 0.13 0.00 -0.30 0.00 0.00 42.92 41.82 2cr0 s ASP 67 CO -0.10 -0.38 1.15 -0.83 -0.17 0.00 0.00 175.17 174.84 2cr0 s GLY 68 N 1.73 -0.33 -0.12 2.66 0.00 -1.25 -4.68 107.32 105.33 2cr0 s GLY 68 Ca 0.06 1.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.92 2cr0 s GLY 68 CO -0.22 0.46 0.91 1.85 0.00 0.00 0.00 173.10 176.10 2cr0 s GLU 69 N -2.56 4.39 0.49 2.90 2.12 -1.26 -3.46 118.70 121.32 2cr0 s GLU 69 Ca 0.09 1.20 -0.22 0.00 0.36 0.00 0.00 54.97 56.40 2cr0 s GLU 69 Cb -0.01 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 2cr0 s GLU 69 CO -0.05 -0.26 0.89 1.28 -0.54 0.00 0.00 175.26 176.58 2cr0 n LEU 70 N 4.89 2.44 -0.05 2.70 4.77 0.10 -1.02 117.00 130.84 2cr0 n LEU 70 Ca 0.06 0.92 -0.02 0.00 -0.03 0.00 0.00 56.01 56.94 2cr0 n LEU 70 Cb 0.49 -1.32 0.24 0.00 -2.33 0.00 0.00 43.42 40.50 2cr0 n LEU 70 CO 0.50 -1.92 0.91 0.22 -1.33 0.00 0.00 177.39 175.77 2cr0 h TYR 71 N 1.01 0.66 -4.55 -1.77 3.20 -1.74 -3.45 116.97 110.34 2cr0 h TYR 71 Ca -0.45 -0.08 -0.24 0.00 3.14 0.00 0.00 58.73 61.10 2cr0 h TYR 71 Cb 1.36 -0.19 -0.15 0.00 1.54 0.00 0.00 36.73 39.29 2cr0 h TYR 71 CO 0.39 0.63 -0.59 1.21 -1.64 0.00 0.00 178.16 178.17 2cr0 s ASN 72 N -6.70 0.19 0.45 -2.11 3.04 -1.26 -5.11 114.94 103.44 2cr0 s ASN 72 Ca -0.08 -1.38 -0.23 0.00 0.04 0.00 0.00 52.86 51.21 2cr0 s ASN 72 Cb 0.15 0.40 -0.08 0.00 -1.54 0.00 0.00 41.25 40.18 2cr0 s ASN 72 CO 0.78 -0.87 1.16 -1.61 -3.04 0.00 0.00 177.10 173.53 2cr0 s GLU 73 N -4.12 3.82 -0.03 0.43 2.02 -1.26 -4.68 118.70 114.88 2cr0 s GLU 73 Ca 0.38 1.77 -0.01 0.00 0.02 0.00 0.00 54.97 57.13 2cr0 s GLU 73 Cb 0.06 -2.45 0.03 0.00 0.10 0.00 0.00 34.13 31.87 2cr0 s GLU 73 CO 0.12 -0.50 0.03 0.14 0.02 0.00 0.00 175.26 175.08 2cr0 s VAL 74 N -1.53 -0.00 -0.89 2.63 -7.23 0.50 -3.16 120.40 110.71 2cr0 s VAL 74 Ca 0.62 0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.87 2cr0 s VAL 74 Cb -0.28 -0.17 -0.24 0.00 0.56 0.00 0.00 36.38 36.24 2cr0 s VAL 74 CO 0.35 0.14 2.30 1.17 -0.31 0.00 0.00 175.10 178.75 2cr0 n LYS 75 N 4.61 0.27 -0.13 4.82 4.81 0.38 -4.49 118.16 128.42 2cr0 n LYS 75 Ca -0.18 -0.37 -0.11 0.00 -0.87 0.00 0.00 58.31 56.78 2cr0 n LYS 75 Cb 0.50 -2.26 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 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 7.36 1.27 0.00 3.15 3.04 -1.84 0.27 116.25 129.50 2cr0 h VAL 76 Ca 0.01 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 2cr0 h VAL 76 Cb 1.09 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2cr0 h VAL 76 CO 1.34 0.38 0.33 -0.33 -1.01 0.00 0.00 177.57 178.28 2cr0 h GLU 77 N 0.56 0.00 0.00 4.17 5.08 -1.95 -0.89 114.58 121.54 2cr0 h GLU 77 Ca 0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 2cr0 h GLU 77 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2cr0 h GLU 77 CO 0.03 0.00 -1.69 0.39 -1.00 0.00 0.00 179.01 176.75 2cr0 n GLU 78 N -2.73 2.03 -1.28 2.33 -0.58 -0.98 -5.03 120.64 114.40 2cr0 n GLU 78 Ca -0.02 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.37 2cr0 n GLU 78 Cb 0.37 -1.25 0.07 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.45 -0.85 -3.60 1.62 7.64 0.90 -4.94 113.62 111.94 2cr0 n SER 79 Ca -0.17 0.61 -0.08 0.00 1.01 0.00 0.00 58.87 60.24 2cr0 n SER 79 Cb 0.81 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.50 -0.27 0.21 6.43 0.01 -0.88 -4.95 113.70 112.75 2cr0 s SER 80 Ca 0.67 0.28 0.09 0.00 1.31 0.00 0.00 55.95 58.30 2cr0 s SER 80 Cb -0.35 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 2cr0 s SER 80 CO 0.56 -0.26 -0.18 -1.66 0.41 0.00 0.00 173.24 172.12 2cr0 s TRP 81 N -1.15 1.92 0.03 2.43 1.48 -1.26 0.11 118.94 122.51 2cr0 s TRP 81 Ca 0.02 -0.47 -0.06 0.00 -1.06 0.00 0.00 56.10 54.53 2cr0 s TRP 81 Cb -0.01 -0.90 -0.01 0.00 -1.16 0.00 0.00 33.47 31.40 2cr0 s TRP 81 CO -0.01 0.44 0.12 -0.48 -4.06 0.00 0.00 176.95 172.96 2cr0 s LEU 82 N -3.10 1.69 -0.30 -4.66 0.05 0.12 -4.97 118.68 107.50 2cr0 s LEU 82 Ca 0.22 -0.45 -0.19 0.00 0.05 0.00 0.00 54.13 53.75 2cr0 s LEU 82 Cb -0.04 0.67 -0.01 0.00 -2.05 0.00 0.00 46.19 44.76 2cr0 s LEU 82 CO 0.09 -0.49 0.57 -0.63 -0.55 0.00 0.00 176.35 175.33 2cr0 s ILE 83 N -2.40 4.99 -0.07 1.48 1.01 -1.26 -0.55 121.20 124.40 2cr0 s ILE 83 Ca -0.07 0.76 -0.17 0.00 0.00 0.00 0.00 60.65 61.17 2cr0 s ILE 83 Cb -0.02 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2cr0 s ILE 83 CO -0.03 -0.09 0.47 -1.61 0.00 0.00 0.00 174.94 173.68 2cr0 s GLU 84 N 2.47 4.22 -1.06 2.79 0.41 0.24 -4.17 118.70 123.60 2cr0 s GLU 84 Ca 0.23 0.47 -0.11 0.00 -0.41 0.00 0.00 54.97 55.15 2cr0 s GLU 84 Cb -0.15 -3.36 0.10 0.00 -1.78 0.00 0.00 34.13 28.94 2cr0 s GLU 84 CO 0.11 0.34 0.35 -3.47 -0.49 0.00 0.00 175.26 172.11 2cr0 n ASP 85 N 3.00 -2.25 -1.76 -0.19 -0.08 -1.26 -0.25 116.55 113.76 2cr0 n ASP 85 Ca -0.09 -0.36 -0.01 0.00 -1.51 0.00 0.00 54.79 52.81 2cr0 n ASP 85 Cb 0.52 -1.95 -0.00 0.00 2.34 0.00 0.00 41.12 42.03 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 -0.91 -0.18 0.00 0.27 0.00 -1.26 -4.52 105.19 98.59 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 -1.81 1.40 -4.35 1.61 2.85 0.65 -0.85 118.16 117.67 2cr0 n LYS 87 Ca -0.01 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.00 2cr0 n LYS 87 Cb 0.28 -0.83 -0.09 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.66 3.04 -0.41 0.58 1.01 0.10 -2.03 120.40 121.04 2cr0 s VAL 88 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.00 2cr0 s VAL 88 Cb 0.00 -2.58 0.12 0.00 0.00 0.00 0.00 36.38 33.92 2cr0 s VAL 88 CO 0.00 -0.30 0.18 -0.69 0.00 0.00 0.00 175.10 174.29 2cr0 s VAL 89 N -2.19 1.56 0.21 2.92 1.01 -1.17 0.82 120.40 123.56 2cr0 s VAL 89 Ca 0.29 -2.35 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 2cr0 s VAL 89 Cb -0.07 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 2cr0 s VAL 89 CO 0.17 -0.79 0.94 0.42 0.00 0.00 0.00 175.10 175.84 2cr0 s THR 90 N 0.64 4.16 -0.19 3.92 -4.23 0.29 -3.35 115.64 116.88 2cr0 s THR 90 Ca 0.15 2.07 0.01 0.00 -1.18 0.00 0.00 61.69 62.73 2cr0 s THR 90 Cb -0.22 -4.32 0.04 0.00 1.34 0.00 0.00 72.50 69.34 2cr0 s THR 90 CO -0.07 0.47 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.70 2cr0 s VAL 91 N -0.97 1.55 -0.18 2.29 1.01 0.63 0.11 120.40 124.84 2cr0 s VAL 91 Ca 0.42 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2cr0 s VAL 91 Cb -0.25 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2cr0 s VAL 91 CO 0.31 0.17 0.78 -2.28 0.00 0.00 0.00 175.10 174.08 2cr0 s HIS 92 N 1.44 3.40 -0.26 5.22 5.04 0.12 -1.85 115.29 128.40 2cr0 s HIS 92 Ca -0.01 1.15 -0.02 0.00 -1.54 0.00 0.00 55.06 54.65 2cr0 s HIS 92 Cb -0.16 -2.96 0.03 0.00 0.04 0.00 0.00 32.58 29.53 2cr0 s HIS 92 CO -0.08 -0.24 -0.05 -0.51 -2.34 0.00 0.00 174.74 171.52 2cr0 s LEU 93 N 2.15 3.32 -0.14 8.88 1.43 -0.77 -2.08 118.68 131.48 2cr0 s LEU 93 Ca 0.35 -0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 2cr0 s LEU 93 Cb -0.16 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 2cr0 s LEU 93 CO 0.11 -0.15 0.86 -0.70 0.23 0.00 0.00 176.35 176.71 2cr0 s GLU 94 N 1.31 4.35 -0.20 1.70 2.56 -1.26 -0.25 118.70 126.91 2cr0 s GLU 94 Ca -0.01 1.11 -0.26 0.00 0.00 0.00 0.00 54.97 55.81 2cr0 s GLU 94 Cb -0.17 -3.55 -0.01 0.00 2.00 0.00 0.00 34.13 32.40 2cr0 s GLU 94 CO -0.04 -0.27 0.87 0.15 -0.56 0.00 0.00 175.26 175.41 2cr0 s LYS 95 N 1.93 4.26 0.42 4.30 1.02 -1.25 0.14 119.74 130.56 2cr0 s LYS 95 Ca 0.41 1.06 0.25 0.00 0.02 0.00 0.00 55.97 57.72 2cr0 s LYS 95 Cb -0.17 -3.61 1.31 0.00 -0.52 0.00 0.00 37.83 34.84 2cr0 s LYS 95 CO 0.15 -0.44 1.67 0.82 -0.92 0.00 0.00 175.35 176.62 2cr0 h ILE 96 N 5.31 0.24 -3.12 2.17 1.08 -1.88 -3.35 117.51 117.97 2cr0 h ILE 96 Ca -0.25 -0.06 -0.66 0.00 -0.39 0.00 0.00 64.86 63.49 2cr0 h ILE 96 Cb 1.11 0.04 -0.35 0.00 -3.07 0.00 0.00 36.82 34.55 2cr0 h ILE 96 CO 0.87 0.03 -0.86 0.20 -0.69 0.00 0.00 178.15 177.71 2cr0 s ASN 97 N -4.73 3.04 0.00 1.72 0.01 -1.26 -4.98 114.94 108.74 2cr0 s ASN 97 Ca -0.08 -0.61 0.22 0.00 -0.71 0.00 0.00 52.86 51.68 2cr0 s ASN 97 Cb 0.29 -1.42 0.94 0.00 0.41 0.00 0.00 41.25 41.47 2cr0 s ASN 97 CO 0.81 0.02 1.70 0.29 -1.51 0.00 0.00 177.10 178.40 2cr0 n LYS 98 N 4.46 0.03 -1.34 -0.60 4.76 -1.26 -2.98 118.16 121.23 2cr0 n LYS 98 Ca -0.20 0.12 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 2cr0 n LYS 98 Cb 0.50 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.31 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 -1.48 2.60 -4.46 1.97 2.81 -1.25 -4.11 117.12 113.19 2cr0 n MET 99 Ca 0.06 -3.39 -0.21 0.00 -1.81 0.00 0.00 57.70 52.35 2cr0 n MET 99 Cb 0.25 -2.16 -0.14 0.00 -0.71 0.00 0.00 33.22 30.45 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 -3.56 1.00 0.00 0.03 2.56 -1.16 -5.14 118.70 112.43 2cr0 s GLU 100 Ca 0.56 -0.63 0.03 0.00 0.00 0.00 0.00 54.97 54.93 2cr0 s GLU 100 Cb 0.46 -0.99 -0.03 0.00 2.00 0.00 0.00 34.13 35.57 2cr0 s GLU 100 CO 0.02 0.26 -0.07 -1.58 -0.56 0.00 0.00 175.26 173.33 2cr0 s TRP 101 N -0.61 2.88 0.22 5.30 0.52 -1.26 -4.50 118.94 121.48 2cr0 s TRP 101 Ca 0.03 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.17 2cr0 s TRP 101 Cb -0.07 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 2cr0 s TRP 101 CO 0.00 0.37 0.20 -1.58 0.02 0.00 0.00 176.95 175.97 2cr0 s TRP 102 N -1.00 3.19 -0.04 -1.98 0.52 -1.26 -5.02 118.94 113.35 2cr0 s TRP 102 Ca 0.17 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.24 2cr0 s TRP 102 Cb -0.11 -1.47 -0.00 0.00 -1.15 0.00 0.00 33.47 30.73 2cr0 s TRP 102 CO 0.07 0.51 0.11 0.27 0.02 0.00 0.00 176.95 177.94 2cr0 n ASN 103 N -0.91 0.22 -3.64 2.95 0.23 -1.26 -4.89 115.26 107.95 2cr0 n ASN 103 Ca -0.08 -0.61 -0.06 0.00 -0.53 0.00 0.00 54.58 53.30 2cr0 n ASN 103 Cb 0.57 0.82 -0.07 0.00 -2.08 0.00 0.00 39.78 39.01 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2cr0 s ARG 104 N -0.87 0.34 0.08 -3.83 1.70 -1.26 -1.31 118.95 113.80 2cr0 s ARG 104 Ca 0.00 0.42 -0.27 0.00 -0.47 0.00 0.00 55.73 55.42 2cr0 s ARG 104 Cb 0.00 0.16 -0.12 0.00 -0.57 0.00 0.00 34.95 34.42 2cr0 s ARG 104 CO 0.02 -0.04 1.42 1.25 -1.08 0.00 0.00 175.30 176.87 2cr0 h LEU 105 N 4.03 -1.18 0.00 -1.89 5.85 -1.90 -3.38 115.31 116.84 2cr0 h LEU 105 Ca -0.28 0.12 -0.47 0.00 0.84 0.00 0.00 57.88 58.09 2cr0 h LEU 105 Cb 1.18 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 42.54 2cr0 h LEU 105 CO 0.14 -0.45 -0.38 1.33 -0.34 0.00 0.00 178.44 178.74 2cr0 n VAL 106 N -4.77 0.00 0.25 1.05 0.24 -1.26 -3.28 118.33 110.56 2cr0 n VAL 106 Ca -0.07 -1.91 0.14 0.00 -2.04 0.00 0.00 64.34 60.45 2cr0 n VAL 106 Cb 0.33 0.61 0.36 0.00 -1.47 0.00 0.00 33.84 33.67 2cr0 n VAL 106 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2cr0 h THR 107 N 1.46 0.00 -0.01 3.34 1.35 -1.35 -2.92 112.91 114.79 2cr0 h THR 107 Ca -0.28 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2cr0 h THR 107 Cb 0.99 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2cr0 h THR 107 CO 0.44 0.00 -0.19 -1.20 -0.25 0.00 0.00 175.52 174.32 2cr0 n SER 108 N -3.08 0.75 -4.88 5.36 7.64 -1.26 -4.88 113.62 113.28 2cr0 n SER 108 Ca 0.03 -0.72 -0.23 0.00 1.01 0.00 0.00 58.87 58.96 2cr0 n SER 108 Cb 0.45 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 2cr0 n SER 108 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cr0 s ASP 109 N -2.51 5.86 1.09 6.43 1.01 -1.10 -5.10 116.67 122.35 2cr0 s ASP 109 Ca 0.26 -0.07 -0.15 0.00 0.71 0.00 0.00 52.55 53.29 2cr0 s ASP 109 Cb 0.20 -1.61 0.23 0.00 1.01 0.00 0.00 42.92 42.74 2cr0 s ASP 109 CO 0.50 -0.01 1.10 -2.16 0.21 0.00 0.00 175.17 174.81 2cr0 s PRO 110 N -3.63 -0.28 0.35 8.23 0.04 -1.26 -4.81 135.00 133.63 2cr0 s PRO 110 Ca 0.33 0.27 0.08 0.00 0.04 0.00 0.00 61.00 61.72 2cr0 s PRO 110 Cb -0.09 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 2cr0 s PRO 110 CO 0.26 -3.15 0.25 -1.21 0.04 0.00 0.00 177.00 173.19 2cr0 s GLU 111 N -5.13 2.57 -0.04 4.56 8.01 -1.26 -4.45 118.70 122.97 2cr0 s GLU 111 Ca 0.68 -1.43 -0.01 0.00 0.01 0.00 0.00 54.97 54.21 2cr0 s GLU 111 Cb -0.15 -2.35 0.03 0.00 -4.31 0.00 0.00 34.13 27.35 2cr0 s GLU 111 CO 0.57 0.05 0.04 0.96 0.01 0.00 0.00 175.26 176.88 2cr0 s ILE 112 N -2.38 -0.01 -0.81 -1.63 -4.36 -0.43 -5.00 121.20 106.58 2cr0 s ILE 112 Ca 0.41 0.29 -0.24 0.00 -0.26 0.00 0.00 60.65 60.85 2cr0 s ILE 112 Cb -0.04 -0.18 -0.19 0.00 1.25 0.00 0.00 42.46 43.30 2cr0 s ILE 112 CO 0.25 0.16 2.45 -3.20 0.24 0.00 0.00 174.94 174.84 2cr0 n ASN 113 N 4.78 0.80 -0.15 4.36 4.05 -1.26 -4.76 115.26 123.09 2cr0 n ASN 113 Ca -0.14 -0.48 -0.09 0.00 0.45 0.00 0.00 54.58 54.31 2cr0 n ASN 113 Cb 0.50 -1.17 -0.01 0.00 1.23 0.00 0.00 39.78 40.33 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2cr0 h THR 114 N 7.66 1.23 0.60 -0.44 1.35 -1.94 -3.25 112.91 118.12 2cr0 h THR 114 Ca -0.08 -0.81 -0.03 0.00 -0.55 0.00 0.00 66.41 64.94 2cr0 h THR 114 Cb 1.20 0.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2cr0 h THR 114 CO 1.30 0.28 -0.29 0.11 -0.25 0.00 0.00 175.52 176.67 2cr0 h LYS 115 N 0.55 -0.78 -5.28 4.72 1.79 -1.99 -3.47 116.57 112.11 2cr0 h LYS 115 Ca 0.13 0.05 -0.34 0.00 -2.18 0.00 0.00 60.65 58.32 2cr0 h LYS 115 Cb 0.32 0.18 0.13 0.00 -1.58 0.00 0.00 32.23 31.28 2cr0 h LYS 115 CO 0.00 -0.47 -0.62 0.43 -1.08 0.00 0.00 179.45 177.72 2cr0 n SER 116 N -5.35 -5.08 0.00 0.86 7.64 -1.23 -4.78 113.62 105.67 2cr0 n SER 116 Ca -0.12 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2cr0 n SER 116 Cb 0.35 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 2cr0 n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr0 n GLY 117 N -1.69 0.55 3.77 0.23 0.00 -1.26 -5.02 105.19 101.77 2cr0 n GLY 117 Ca -0.05 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.09 2.68 -0.71 1.61 0.04 -1.26 -5.01 135.00 131.27 2cr0 s PRO 118 Ca 0.00 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2cr0 s PRO 118 Cb 0.00 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2cr0 s PRO 118 CO 0.00 -1.34 0.58 0.45 0.04 0.00 0.00 177.00 176.74 2cr0 s SER 119 N -2.75 5.96 -1.48 6.66 0.15 -1.26 -4.66 113.70 116.32 2cr0 s SER 119 Ca 0.66 -2.71 -0.09 0.00 0.70 0.00 0.00 55.95 54.50 2cr0 s SER 119 Cb -0.20 -2.03 0.06 0.00 -1.71 0.00 0.00 66.02 62.15 2cr0 s SER 119 CO 0.45 -0.49 0.84 -1.20 1.20 0.00 0.00 173.24 174.04 2cr0 n SER 120 N 3.81 -3.31 0.00 5.45 7.64 -1.26 -5.31 113.62 120.64 2cr0 n SER 120 Ca 0.09 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2cr0 n SER 120 Cb 0.42 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 2cr0 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64