#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 0.56 -0.23 1.61 0.01 -1.26 -4.78 113.70 109.61 2cr0 s SER 2 Ca 0.00 1.36 -0.42 0.00 1.31 0.00 0.00 55.95 58.20 2cr0 s SER 2 Cb 0.00 -2.10 -0.19 0.00 0.21 0.00 0.00 66.02 63.94 2cr0 s SER 2 CO 0.00 -4.44 1.28 -1.20 0.41 0.00 0.00 173.24 169.29 2cr0 n SER 3 N -5.06 0.55 -1.03 2.44 7.64 -1.26 -4.24 113.62 112.66 2cr0 n SER 3 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2cr0 n SER 3 Cb 0.55 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2cr0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr0 n GLY 4 N 2.61 -2.50 3.14 0.23 0.00 -1.26 -4.79 105.19 102.62 2cr0 n GLY 4 Ca 0.24 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2cr0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr0 n SER 5 N 0.00 0.41 -4.49 1.61 2.88 -1.26 -4.84 113.62 107.93 2cr0 n SER 5 Ca 0.00 0.32 -0.43 0.00 -1.33 0.00 0.00 58.87 57.43 2cr0 n SER 5 Cb 0.00 -0.84 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 2cr0 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr0 s SER 6 N 7.37 6.21 0.00 -3.46 0.01 -1.26 -4.74 113.70 117.83 2cr0 s SER 6 Ca 1.20 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2cr0 s SER 6 Cb -1.23 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 62.76 2cr0 s SER 6 CO 0.50 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2cr0 n GLY 7 N 5.10 0.46 3.12 3.44 0.00 -1.26 -5.00 105.19 111.06 2cr0 n GLY 7 Ca -0.07 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.09 0.70 0.13 1.61 -2.85 -1.26 -4.97 119.74 113.01 2cr0 s LYS 8 Ca 0.00 -0.97 -0.31 0.00 -1.00 0.00 0.00 55.97 53.69 2cr0 s LYS 8 Cb 0.00 -0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 35.25 2cr0 s LYS 8 CO 0.00 0.07 1.35 -1.25 0.10 0.00 0.00 175.35 175.62 2cr0 s PRO 9 N -2.20 4.35 0.56 1.78 0.04 -1.26 -2.33 135.00 135.94 2cr0 s PRO 9 Ca -0.02 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2cr0 s PRO 9 Cb -0.06 -3.24 0.11 0.00 0.04 0.00 0.00 34.50 31.34 2cr0 s PRO 9 CO 0.00 -0.36 0.78 0.09 0.04 0.00 0.00 177.00 177.54 2cr0 n ASN 10 N 3.57 1.39 -0.22 6.66 3.02 -1.19 -4.88 115.26 123.61 2cr0 n ASN 10 Ca 0.10 -2.09 0.02 0.00 -0.03 0.00 0.00 54.58 52.57 2cr0 n ASN 10 Cb 0.43 -0.47 0.14 0.00 -0.61 0.00 0.00 39.78 39.26 2cr0 n ASN 10 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2cr0 h LEU 11 N 0.00 0.23 -3.85 3.41 7.12 -1.96 -1.71 115.31 118.55 2cr0 h LEU 11 Ca -0.26 0.09 -0.28 0.00 0.13 0.00 0.00 57.88 57.56 2cr0 h LEU 11 Cb 1.04 0.07 -0.11 0.00 -0.53 0.00 0.00 40.66 41.14 2cr0 h LEU 11 CO 0.31 0.12 0.12 0.61 -0.13 0.00 0.00 178.44 179.47 2cr0 n GLY 12 N -1.31 3.60 3.80 3.75 0.00 -1.26 -4.79 105.19 108.98 2cr0 n GLY 12 Ca 0.11 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 1.28 -0.15 0.00 1.61 3.02 -0.64 -2.06 115.26 118.31 2cr0 n ASN 13 Ca 0.34 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2cr0 n ASN 13 Cb 0.65 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2cr0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr0 n GLY 14 N -1.64 3.53 3.04 7.41 0.00 -1.25 -4.17 105.19 112.11 2cr0 n GLY 14 Ca -0.10 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.49 -0.62 -0.58 4.61 0.00 -0.91 -3.17 121.76 118.60 2cr0 s ALA 15 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2cr0 s ALA 15 Cb 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.10 2cr0 s ALA 15 CO 0.00 -0.65 1.10 0.34 0.00 0.00 0.00 175.76 176.55 2cr0 s ASP 16 N 2.43 6.38 0.13 0.00 -1.08 -0.98 -3.63 116.67 119.91 2cr0 s ASP 16 Ca 0.01 -0.14 0.05 0.00 -0.52 0.00 0.00 52.55 51.94 2cr0 s ASP 16 Cb -0.12 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 2cr0 s ASP 16 CO -0.09 -1.42 0.09 -0.76 0.52 0.00 0.00 175.17 173.51 2cr0 s LEU 17 N 4.63 3.72 0.56 -1.34 1.43 -1.05 -4.10 118.68 122.52 2cr0 s LEU 17 Ca 0.37 -0.12 0.34 0.00 -1.03 0.00 0.00 54.13 53.70 2cr0 s LEU 17 Cb -0.10 -2.37 1.42 0.00 0.03 0.00 0.00 46.19 45.17 2cr0 s LEU 17 CO 0.22 0.12 2.00 1.55 0.23 0.00 0.00 176.35 180.47 2cr0 h PRO 18 N 2.86 0.00 0.03 1.29 0.13 -2.01 -3.00 132.00 131.31 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 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2cr0 h PRO 18 CO 0.63 0.00 -1.83 0.09 -0.23 0.00 0.00 178.00 176.66 2cr0 n ASN 19 N -3.09 1.15 -3.60 1.44 4.13 -1.26 -5.02 115.26 109.00 2cr0 n ASN 19 Ca 0.00 0.33 -0.05 0.00 1.68 0.00 0.00 54.58 56.55 2cr0 n ASN 19 Cb 0.29 -0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.31 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2cr0 s TYR 20 N -2.58 -0.14 -0.10 3.10 -0.85 -1.13 -4.37 117.35 111.28 2cr0 s TYR 20 Ca -0.10 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.59 2cr0 s TYR 20 Cb 0.08 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 2cr0 s TYR 20 CO 0.81 -0.19 -0.13 -0.98 -1.52 0.00 0.00 175.55 173.54 2cr0 s ARG 21 N -2.11 3.09 -0.02 -3.49 1.70 -0.37 -2.53 118.95 115.21 2cr0 s ARG 21 Ca 0.08 -0.67 -0.03 0.00 -0.47 0.00 0.00 55.73 54.64 2cr0 s ARG 21 Cb -0.01 -2.56 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 2cr0 s ARG 21 CO -0.05 0.37 0.07 1.67 -1.08 0.00 0.00 175.30 176.29 2cr0 s TRP 22 N -0.05 -0.01 0.25 5.89 1.48 -1.24 0.27 118.94 125.54 2cr0 s TRP 22 Ca -0.02 0.03 0.09 0.00 -1.06 0.00 0.00 56.10 55.13 2cr0 s TRP 22 Cb -0.14 -0.02 -0.05 0.00 -1.16 0.00 0.00 33.47 32.10 2cr0 s TRP 22 CO 0.04 -0.11 -0.13 0.95 -4.06 0.00 0.00 176.95 173.63 2cr0 s THR 23 N -0.48 1.92 -0.02 0.66 -4.23 0.30 -2.13 115.64 111.66 2cr0 s THR 23 Ca -0.06 -2.23 0.02 0.00 -1.18 0.00 0.00 61.69 58.24 2cr0 s THR 23 Cb -0.04 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2cr0 s THR 23 CO 0.00 -0.43 -0.06 0.00 -0.54 0.00 0.00 174.62 173.58 2cr0 s GLN 24 N -3.63 0.63 0.02 3.99 -2.07 -0.88 0.28 119.66 118.00 2cr0 s GLN 24 Ca 0.27 -0.21 0.03 0.00 -1.82 0.00 0.00 55.36 53.63 2cr0 s GLN 24 Cb -0.00 -0.62 -0.01 0.00 -1.09 0.00 0.00 33.01 31.29 2cr0 s GLN 24 CO 0.11 0.09 -0.08 0.95 -1.32 0.00 0.00 175.29 175.03 2cr0 s THR 25 N 0.12 0.64 0.55 3.63 -4.23 0.43 -4.41 115.64 112.37 2cr0 s THR 25 Ca -0.01 -0.67 0.30 0.00 -1.18 0.00 0.00 61.69 60.13 2cr0 s THR 25 Cb -0.06 -0.60 0.44 0.00 1.34 0.00 0.00 72.50 73.62 2cr0 s THR 25 CO -0.00 -0.05 1.27 0.18 -0.54 0.00 0.00 174.62 175.48 2cr0 n LEU 26 N 2.26 0.00 -0.02 4.79 4.77 -1.26 -0.81 117.00 126.73 2cr0 n LEU 26 Ca -0.17 0.76 -0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2cr0 n LEU 26 Cb 0.56 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2cr0 n LEU 26 CO 0.23 -0.76 -0.02 0.00 -1.33 0.00 0.00 177.39 175.51 2cr0 h ALA 27 N 0.59 0.00 -2.84 -1.18 0.00 -1.88 -3.37 119.26 110.58 2cr0 h ALA 27 Ca 0.56 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 55.22 2cr0 h ALA 27 Cb 2.94 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.66 2cr0 h ALA 27 CO -0.01 0.03 -0.23 -1.83 0.00 0.00 0.00 179.25 177.22 2cr0 s GLU 28 N -1.23 1.68 -0.09 0.00 1.03 0.01 -3.77 118.70 116.33 2cr0 s GLU 28 Ca -0.01 -1.56 0.00 0.00 0.03 0.00 0.00 54.97 53.43 2cr0 s GLU 28 Cb 0.00 0.43 -0.03 0.00 -0.80 0.00 0.00 34.13 33.73 2cr0 s GLU 28 CO 0.01 -0.68 -0.09 -1.17 -1.33 0.00 0.00 175.26 172.00 2cr0 s LEU 29 N -3.15 3.00 0.14 1.83 0.20 0.64 -0.43 118.68 120.91 2cr0 s LEU 29 Ca 0.29 -0.14 0.08 0.00 0.69 0.00 0.00 54.13 55.05 2cr0 s LEU 29 Cb 0.01 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 2cr0 s LEU 29 CO 0.15 0.29 -0.09 -1.81 -0.29 0.00 0.00 176.35 174.60 2cr0 s ASP 30 N -0.37 4.39 -0.02 3.68 1.11 0.14 -0.22 116.67 125.39 2cr0 s ASP 30 Ca 0.05 -0.45 -0.04 0.00 0.18 0.00 0.00 52.55 52.29 2cr0 s ASP 30 Cb -0.12 -0.82 0.00 0.00 1.07 0.00 0.00 42.92 43.05 2cr0 s ASP 30 CO 0.02 0.14 0.08 -0.22 1.18 0.00 0.00 175.17 176.38 2cr0 s LEU 31 N -2.49 1.73 -0.14 1.23 2.96 -1.07 -0.54 118.68 120.36 2cr0 s LEU 31 Ca 0.23 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2cr0 s LEU 31 Cb -0.10 0.37 0.05 0.00 0.50 0.00 0.00 46.19 47.01 2cr0 s LEU 31 CO 0.15 -0.17 0.07 0.00 -1.32 0.00 0.00 176.35 175.08 2cr0 s ALA 32 N -0.59 0.49 -0.41 5.97 0.00 0.14 -1.91 121.76 125.45 2cr0 s ALA 32 Ca -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 2cr0 s ALA 32 Cb -0.04 -0.94 0.10 0.00 0.00 0.00 0.00 23.12 22.24 2cr0 s ALA 32 CO 0.00 -0.96 0.22 0.08 0.00 0.00 0.00 175.76 175.11 2cr0 s VAL 33 N 2.09 3.65 0.02 0.00 1.01 -1.08 -1.24 120.40 124.84 2cr0 s VAL 33 Ca 0.02 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 2cr0 s VAL 33 Cb -0.15 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2cr0 s VAL 33 CO -0.07 -0.61 1.44 -2.16 0.00 0.00 0.00 175.10 173.70 2cr0 s PRO 34 N 1.26 4.27 -0.26 2.72 0.04 -1.26 -1.83 135.00 139.94 2cr0 s PRO 34 Ca 0.05 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2cr0 s PRO 34 Cb -0.23 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.77 2cr0 s PRO 34 CO -0.02 -0.59 -0.03 -0.06 0.04 0.00 0.00 177.00 176.34 2cr0 s PHE 35 N 2.37 3.10 -1.09 0.56 0.08 0.99 -4.98 117.98 119.01 2cr0 s PHE 35 Ca 0.65 -1.51 -0.26 0.00 0.12 0.00 0.00 56.93 55.93 2cr0 s PHE 35 Cb -0.33 -2.09 -0.21 0.00 -0.57 0.00 0.00 43.02 39.82 2cr0 s PHE 35 CO 0.27 -0.72 2.08 -2.13 -0.10 0.00 0.00 175.22 174.63 2cr0 n ARG 36 N 4.69 0.38 -4.40 0.44 0.63 -1.26 -4.68 116.66 112.46 2cr0 n ARG 36 Ca -0.16 -1.84 -0.27 0.00 -0.92 0.00 0.00 57.85 54.66 2cr0 n ARG 36 Cb 0.47 -3.89 -0.12 0.00 0.45 0.00 0.00 32.46 29.36 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2cr0 s VAL 37 N 16.15 2.25 -1.01 5.15 -7.23 -1.26 -5.03 120.40 129.41 2cr0 s VAL 37 Ca 0.79 -1.90 0.16 0.00 -1.81 0.00 0.00 61.98 59.22 2cr0 s VAL 37 Cb -0.04 -2.03 0.53 0.00 0.56 0.00 0.00 36.38 35.40 2cr0 s VAL 37 CO 0.18 -0.05 1.45 -0.24 -0.31 0.00 0.00 175.10 176.13 2cr0 n SER 38 N 0.55 3.85 -2.16 4.85 2.88 -1.26 -4.94 113.62 117.38 2cr0 n SER 38 Ca -0.15 -2.32 -0.09 0.00 -1.33 0.00 0.00 58.87 54.98 2cr0 n SER 38 Cb 0.55 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.70 -0.90 -2.79 0.66 1.16 -1.26 -5.13 117.46 109.90 2cr0 n PHE 39 Ca 0.20 -1.39 -0.42 0.00 -1.87 0.00 0.00 57.45 53.96 2cr0 n PHE 39 Cb 0.69 0.28 -0.03 0.00 -1.61 0.00 0.00 39.48 38.81 2cr0 n PHE 39 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2cr0 s ARG 40 N -2.52 4.26 0.06 3.97 6.06 -1.26 -4.52 118.95 125.01 2cr0 s ARG 40 Ca 0.18 1.15 -0.31 0.00 -2.50 0.00 0.00 55.73 54.25 2cr0 s ARG 40 Cb -0.00 -3.61 -0.07 0.00 0.06 0.00 0.00 34.95 31.32 2cr0 s ARG 40 CO 0.13 -0.49 1.44 -0.51 -2.50 0.00 0.00 175.30 173.37 2cr0 s LEU 41 N 2.70 4.35 -0.09 -0.88 1.43 -0.85 -5.00 118.68 120.33 2cr0 s LEU 41 Ca 0.40 2.27 -0.13 0.00 -1.03 0.00 0.00 54.13 55.65 2cr0 s LEU 41 Cb -0.16 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 2cr0 s LEU 41 CO 0.09 -0.72 0.30 -0.54 0.23 0.00 0.00 176.35 175.71 2cr0 s LYS 42 N 1.88 3.94 0.39 1.70 -0.14 -1.26 -4.86 119.74 121.39 2cr0 s LYS 42 Ca 0.66 0.16 0.26 0.00 -1.36 0.00 0.00 55.97 55.69 2cr0 s LYS 42 Cb -0.35 -3.30 1.38 0.00 -1.68 0.00 0.00 37.83 33.88 2cr0 s LYS 42 CO 0.29 0.53 1.53 0.41 -0.76 0.00 0.00 175.35 177.35 2cr0 n GLY 43 N 2.48 -0.77 0.25 -3.33 0.00 -1.26 0.16 105.19 102.73 2cr0 n GLY 43 Ca -0.14 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 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 0.87 -0.92 1.61 2.10 -2.02 -3.07 116.57 115.14 2cr0 h LYS 44 Ca 0.84 -0.44 0.05 0.00 -2.00 0.00 0.00 60.65 59.10 2cr0 h LYS 44 Cb 2.45 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 33.73 2cr0 h LYS 44 CO -0.61 1.08 0.60 -0.44 -2.00 0.00 0.00 179.45 178.08 2cr0 h ASP 45 N 0.68 0.96 -3.09 7.07 5.19 0.12 -3.43 116.42 123.93 2cr0 h ASP 45 Ca 0.07 -0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.94 2cr0 h ASP 45 Cb 0.89 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2cr0 h ASP 45 CO 0.08 0.64 -0.24 0.68 -3.12 0.00 0.00 179.24 177.27 2cr0 s VAL 46 N -5.95 5.11 -0.38 -1.35 -7.23 -0.84 -1.51 120.40 108.25 2cr0 s VAL 46 Ca -0.12 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2cr0 s VAL 46 Cb 0.19 -3.70 0.11 0.00 0.56 0.00 0.00 36.38 33.55 2cr0 s VAL 46 CO 0.80 -0.17 0.14 -0.69 -0.31 0.00 0.00 175.10 174.87 2cr0 s VAL 47 N -1.89 1.68 -0.30 1.32 1.01 0.52 -4.68 120.40 118.06 2cr0 s VAL 47 Ca 0.42 -2.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.12 2cr0 s VAL 47 Cb -0.11 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.10 2cr0 s VAL 47 CO 0.28 -0.73 -0.00 -0.69 0.00 0.00 0.00 175.10 173.96 2cr0 s VAL 48 N 0.80 3.00 -0.30 2.92 1.01 -1.26 -1.82 120.40 124.75 2cr0 s VAL 48 Ca 0.13 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 2cr0 s VAL 48 Cb -0.21 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2cr0 s VAL 48 CO -0.10 -0.09 0.08 -0.62 0.00 0.00 0.00 175.10 174.36 2cr0 s ASP 49 N 1.26 5.12 -0.21 3.32 -1.08 0.14 -4.96 116.67 120.26 2cr0 s ASP 49 Ca -0.05 -0.76 -0.07 0.00 -0.52 0.00 0.00 52.55 51.15 2cr0 s ASP 49 Cb -0.20 -1.87 -0.03 0.00 -1.46 0.00 0.00 42.92 39.36 2cr0 s ASP 49 CO -0.01 -0.20 0.05 -0.63 0.52 0.00 0.00 175.17 174.90 2cr0 s ILE 50 N 1.48 4.43 0.46 4.11 1.01 -1.26 -0.47 121.20 130.95 2cr0 s ILE 50 Ca 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2cr0 s ILE 50 Cb -0.17 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2cr0 s ILE 50 CO 0.02 0.41 0.08 -1.10 0.00 0.00 0.00 174.94 174.35 2cr0 s GLN 51 N 0.97 2.05 0.09 2.79 -1.52 0.19 -4.99 119.66 119.24 2cr0 s GLN 51 Ca 0.03 -2.28 -0.28 0.00 -1.95 0.00 0.00 55.36 50.88 2cr0 s GLN 51 Cb -0.14 -0.99 -0.14 0.00 -0.22 0.00 0.00 33.01 31.52 2cr0 s GLN 51 CO 0.03 -0.44 1.66 -0.09 -0.25 0.00 0.00 175.29 176.20 2cr0 h ARG 52 N 1.59 -0.50 -0.56 2.91 9.65 -1.97 -3.31 114.38 122.18 2cr0 h ARG 52 Ca -0.39 0.03 -0.39 0.00 -1.10 0.00 0.00 59.98 58.13 2cr0 h ARG 52 Cb 1.29 0.11 -0.39 0.00 -1.39 0.00 0.00 29.97 29.59 2cr0 h ARG 52 CO 0.64 -0.33 -0.92 -2.13 2.80 0.00 0.00 179.97 180.02 2cr0 n ARG 53 N -5.35 2.68 -3.64 0.20 0.63 -1.26 -1.28 116.66 108.65 2cr0 n ARG 53 Ca -0.09 -3.80 -0.10 0.00 -0.92 0.00 0.00 57.85 52.93 2cr0 n ARG 53 Cb 0.25 -1.91 -0.07 0.00 0.45 0.00 0.00 32.46 31.18 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 -3.53 -0.91 -0.01 -0.14 2.46 -1.25 -2.76 115.29 109.15 2cr0 s HIS 54 Ca 0.41 1.99 0.02 0.00 0.47 0.00 0.00 55.06 57.95 2cr0 s HIS 54 Cb 0.37 0.46 -0.00 0.00 -0.13 0.00 0.00 32.58 33.28 2cr0 s HIS 54 CO -0.00 -0.45 -0.05 -1.17 -2.47 0.00 0.00 174.74 170.60 2cr0 s LEU 55 N 1.02 1.98 -0.00 8.88 2.96 -1.25 0.55 118.68 132.81 2cr0 s LEU 55 Ca -0.05 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2cr0 s LEU 55 Cb -0.05 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.37 2cr0 s LEU 55 CO -0.10 0.06 0.01 -0.60 -1.32 0.00 0.00 176.35 174.40 2cr0 s ARG 56 N -0.08 0.00 -0.01 1.98 3.52 0.38 -3.63 118.95 121.12 2cr0 s ARG 56 Ca 0.01 0.02 -0.07 0.00 -0.13 0.00 0.00 55.73 55.57 2cr0 s ARG 56 Cb -0.03 -0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.35 2cr0 s ARG 56 CO -0.00 -0.02 0.15 0.08 -0.81 0.00 0.00 175.30 174.70 2cr0 s VAL 57 N 0.10 0.06 -3.64 7.11 1.01 -0.27 0.28 120.40 125.06 2cr0 s VAL 57 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2cr0 s VAL 57 Cb -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2cr0 s VAL 57 CO -0.00 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.42 2cr0 n GLY 58 N 1.81 -0.56 2.95 4.51 0.00 -0.76 -0.18 105.19 112.96 2cr0 n GLY 58 Ca -0.20 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 1.47 0.00 0.99 1.43 -1.26 -0.36 118.68 120.95 2cr0 s LEU 59 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2cr0 s LEU 59 Cb 0.00 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2cr0 s LEU 59 CO 0.00 -0.02 0.54 1.17 0.23 0.00 0.00 176.35 178.27 2cr0 n LYS 60 N 3.98 0.00 -0.77 1.70 3.00 -0.57 0.54 118.16 126.04 2cr0 n LYS 60 Ca -0.23 0.54 -0.10 0.00 -0.00 0.00 0.00 58.31 58.51 2cr0 n LYS 60 Cb 0.51 -0.84 -0.12 0.00 0.00 0.00 0.00 35.03 34.58 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 -0.96 2.57 3.61 3.14 0.00 -1.26 -4.74 105.19 107.54 2cr0 n GLY 61 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 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 1.56 0.32 0.53 1.61 -0.21 0.19 -5.16 119.66 118.49 2cr0 s GLN 62 Ca 0.51 -0.15 -0.20 0.00 0.02 0.00 0.00 55.36 55.54 2cr0 s GLN 62 Cb 0.24 0.13 -0.06 0.00 1.00 0.00 0.00 33.01 34.31 2cr0 s GLN 62 CO -0.00 -0.14 1.13 -1.25 -2.12 0.00 0.00 175.29 172.91 2cr0 s PRO 63 N -2.38 3.42 -0.53 2.91 0.04 -1.26 -4.26 135.00 132.94 2cr0 s PRO 63 Ca 0.12 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 2cr0 s PRO 63 Cb 0.02 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2cr0 s PRO 63 CO -0.04 -0.80 1.81 -1.25 0.04 0.00 0.00 177.00 176.76 2cr0 s PRO 64 N -3.20 2.87 0.48 0.56 0.04 -1.26 -4.14 135.00 130.34 2cr0 s PRO 64 Ca 0.71 0.83 0.28 0.00 0.04 0.00 0.00 61.00 62.86 2cr0 s PRO 64 Cb -0.24 -4.32 1.35 0.00 0.04 0.00 0.00 34.50 31.33 2cr0 s PRO 64 CO 0.28 -2.44 1.80 -0.24 0.04 0.00 0.00 177.00 176.44 2cr0 h VAL 65 N 6.83 0.47 -3.21 -0.36 3.04 -0.93 -3.36 116.25 118.73 2cr0 h VAL 65 Ca -0.28 -0.06 -0.51 0.00 -1.01 0.00 0.00 66.70 64.84 2cr0 h VAL 65 Cb 1.16 0.28 -0.37 0.00 -2.01 0.00 0.00 31.29 30.35 2cr0 h VAL 65 CO 1.16 0.03 -0.80 -0.69 -1.01 0.00 0.00 177.57 176.27 2cr0 s VAL 66 N -5.19 0.93 -0.27 1.51 1.01 -0.47 -4.98 120.40 112.95 2cr0 s VAL 66 Ca -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2cr0 s VAL 66 Cb 0.24 -0.96 0.15 0.00 0.00 0.00 0.00 36.38 35.81 2cr0 s VAL 66 CO 0.80 0.35 0.42 1.51 0.00 0.00 0.00 175.10 178.17 2cr0 s ASP 67 N 1.67 0.08 0.00 3.32 -4.77 -1.26 -1.11 116.67 114.60 2cr0 s ASP 67 Ca 0.03 0.08 0.00 0.00 -3.30 0.00 0.00 52.55 49.37 2cr0 s ASP 67 Cb -0.13 1.24 0.00 0.00 -1.09 0.00 0.00 42.92 42.94 2cr0 s ASP 67 CO -0.07 -0.31 0.00 0.61 0.70 0.00 0.00 175.17 176.10 2cr0 n GLY 68 N 5.37 1.19 3.77 2.12 0.00 -1.24 -4.84 105.19 111.57 2cr0 n GLY 68 Ca -0.02 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2cr0 n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cr0 n GLU 69 N -0.12 2.67 -2.49 1.61 2.13 -1.26 -3.82 120.64 119.36 2cr0 n GLU 69 Ca 0.00 0.94 -0.40 0.00 0.66 0.00 0.00 57.16 58.36 2cr0 n GLU 69 Cb 0.00 -2.67 -0.04 0.00 0.27 0.00 0.00 31.44 29.00 2cr0 n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cr0 s LEU 70 N -1.98 4.53 0.26 4.31 1.43 -1.11 -0.67 118.68 125.44 2cr0 s LEU 70 Ca 0.54 2.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.86 2cr0 s LEU 70 Cb -0.48 -3.66 0.55 0.00 0.03 0.00 0.00 46.19 42.63 2cr0 s LEU 70 CO 0.63 -0.15 1.71 0.22 0.23 0.00 0.00 176.35 178.99 2cr0 h TYR 71 N 3.74 0.52 -4.46 0.29 3.20 -1.79 -3.44 116.97 115.03 2cr0 h TYR 71 Ca -0.47 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.18 2cr0 h TYR 71 Cb 1.21 -0.11 -0.13 0.00 1.54 0.00 0.00 36.73 39.25 2cr0 h TYR 71 CO 0.59 0.01 -0.47 1.21 -1.64 0.00 0.00 178.16 177.85 2cr0 s ASN 72 N -5.28 0.50 0.45 -2.11 3.84 -1.26 -5.12 114.94 105.96 2cr0 s ASN 72 Ca -0.12 -1.41 -0.24 0.00 0.21 0.00 0.00 52.86 51.30 2cr0 s ASN 72 Cb 0.22 0.48 -0.07 0.00 -0.55 0.00 0.00 41.25 41.32 2cr0 s ASN 72 CO 0.77 -0.98 1.26 -1.61 -2.79 0.00 0.00 177.10 173.74 2cr0 s GLU 73 N -3.88 3.74 -0.05 0.43 2.02 -1.26 -4.79 118.70 114.91 2cr0 s GLU 73 Ca 0.36 2.02 -0.01 0.00 0.02 0.00 0.00 54.97 57.35 2cr0 s GLU 73 Cb 0.04 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.76 2cr0 s GLU 73 CO 0.16 -0.63 0.03 0.14 0.02 0.00 0.00 175.26 174.97 2cr0 s VAL 74 N -1.38 0.14 -0.95 2.63 -7.23 -0.40 -3.46 120.40 109.75 2cr0 s VAL 74 Ca 0.62 0.26 -0.16 0.00 -1.81 0.00 0.00 61.98 60.89 2cr0 s VAL 74 Cb -0.35 -0.33 -0.28 0.00 0.56 0.00 0.00 36.38 35.98 2cr0 s VAL 74 CO 0.43 0.21 2.28 1.17 -0.31 0.00 0.00 175.10 178.89 2cr0 n LYS 75 N 5.13 0.13 -0.19 4.82 4.81 -0.04 -4.52 118.16 128.30 2cr0 n LYS 75 Ca -0.07 -0.14 -0.09 0.00 -0.87 0.00 0.00 58.31 57.14 2cr0 n LYS 75 Cb 0.50 -1.61 0.01 0.00 0.02 0.00 0.00 35.03 33.96 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 7.29 1.26 0.00 3.15 3.04 -1.87 0.36 116.25 129.47 2cr0 h VAL 76 Ca 0.01 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2cr0 h VAL 76 Cb 1.14 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2cr0 h VAL 76 CO 1.47 0.37 0.15 -0.33 -1.01 0.00 0.00 177.57 178.22 2cr0 h GLU 77 N 0.82 0.00 0.00 4.17 5.08 -1.96 -2.12 114.58 120.56 2cr0 h GLU 77 Ca 0.16 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.26 2cr0 h GLU 77 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2cr0 h GLU 77 CO 0.02 0.00 -1.99 0.39 -1.00 0.00 0.00 179.01 176.43 2cr0 n GLU 78 N -2.91 0.95 -1.43 2.33 -0.58 -0.88 -5.02 120.64 113.11 2cr0 n GLU 78 Ca -0.02 0.06 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 2cr0 n GLU 78 Cb 0.21 -1.35 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 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 -2.82 -0.80 -3.60 1.62 7.64 0.12 -4.92 113.62 110.86 2cr0 n SER 79 Ca -0.28 0.70 -0.09 0.00 1.01 0.00 0.00 58.87 60.21 2cr0 n SER 79 Cb 0.88 -1.22 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.28 -0.33 0.38 6.43 0.01 -0.97 -4.94 113.70 113.00 2cr0 s SER 80 Ca 0.69 0.41 0.08 0.00 1.31 0.00 0.00 55.95 58.44 2cr0 s SER 80 Cb -0.41 0.34 -0.07 0.00 0.21 0.00 0.00 66.02 66.08 2cr0 s SER 80 CO 0.54 -0.27 -0.03 -1.66 0.41 0.00 0.00 173.24 172.23 2cr0 s TRP 81 N -0.89 2.45 -0.03 2.43 1.48 -1.26 -0.65 118.94 122.47 2cr0 s TRP 81 Ca 0.00 -0.61 -0.23 0.00 -1.06 0.00 0.00 56.10 54.20 2cr0 s TRP 81 Cb -0.01 -1.59 0.05 0.00 -1.16 0.00 0.00 33.47 30.76 2cr0 s TRP 81 CO -0.01 0.49 0.51 -0.48 -4.06 0.00 0.00 176.95 173.40 2cr0 s LEU 82 N -3.66 0.04 -0.12 -4.66 0.05 0.45 -4.97 118.68 105.81 2cr0 s LEU 82 Ca 0.34 0.41 -0.25 0.00 0.05 0.00 0.00 54.13 54.68 2cr0 s LEU 82 Cb 0.07 1.96 -0.02 0.00 -2.05 0.00 0.00 46.19 46.14 2cr0 s LEU 82 CO 0.17 -0.54 0.80 -0.63 -0.55 0.00 0.00 176.35 175.60 2cr0 s ILE 83 N -1.31 4.94 -0.17 1.48 1.01 -1.26 -1.45 121.20 124.43 2cr0 s ILE 83 Ca -0.12 1.60 -0.07 0.00 0.00 0.00 0.00 60.65 62.06 2cr0 s ILE 83 Cb -0.02 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2cr0 s ILE 83 CO 0.07 0.11 0.05 -1.61 0.00 0.00 0.00 174.94 173.56 2cr0 s GLU 84 N 1.62 3.86 -0.48 2.79 0.41 0.94 -4.48 118.70 123.35 2cr0 s GLU 84 Ca 0.39 -0.35 -0.05 0.00 -0.41 0.00 0.00 54.97 54.55 2cr0 s GLU 84 Cb -0.17 -3.16 0.05 0.00 -1.78 0.00 0.00 34.13 29.07 2cr0 s GLU 84 CO 0.16 0.33 0.13 -0.25 -0.49 0.00 0.00 175.26 175.14 2cr0 n ASP 85 N 3.34 -1.51 -1.46 -0.19 8.00 -1.26 -0.35 116.55 123.12 2cr0 n ASP 85 Ca -0.17 0.12 -0.01 0.00 0.71 0.00 0.00 54.79 55.44 2cr0 n ASP 85 Cb 0.52 -1.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cr0 n GLY 86 N -0.66 -0.07 0.00 0.44 0.00 -1.26 -4.50 105.19 99.14 2cr0 n GLY 86 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.50 3.14 -4.11 1.61 2.85 0.52 -2.00 118.16 118.68 2cr0 n LYS 87 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 2cr0 n LYS 87 Cb 0.17 -0.61 -0.11 0.00 -0.65 0.00 0.00 35.03 33.84 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 -1.02 0.58 -0.33 0.58 1.01 -0.15 -0.01 120.40 121.06 2cr0 s VAL 88 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.56 2cr0 s VAL 88 Cb 0.00 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.40 2cr0 s VAL 88 CO 0.00 -0.61 0.04 -0.69 0.00 0.00 0.00 175.10 173.84 2cr0 s VAL 89 N -2.39 2.18 0.07 2.92 1.01 -0.76 -0.04 120.40 123.38 2cr0 s VAL 89 Ca -0.01 -2.22 -0.21 0.00 0.00 0.00 0.00 61.98 59.55 2cr0 s VAL 89 Cb -0.03 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 2cr0 s VAL 89 CO -0.02 -0.55 0.61 0.42 0.00 0.00 0.00 175.10 175.56 2cr0 s THR 90 N 0.97 4.73 -0.16 3.92 -4.23 -0.53 -2.62 115.64 117.71 2cr0 s THR 90 Ca 0.09 1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 61.90 2cr0 s THR 90 Cb -0.19 -3.95 0.04 0.00 1.34 0.00 0.00 72.50 69.75 2cr0 s THR 90 CO -0.09 0.51 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.77 2cr0 s VAL 91 N -0.87 1.03 -0.18 2.29 1.01 -0.80 -0.41 120.40 122.48 2cr0 s VAL 91 Ca 0.31 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2cr0 s VAL 91 Cb -0.20 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2cr0 s VAL 91 CO 0.20 0.11 0.72 -2.28 0.00 0.00 0.00 175.10 173.85 2cr0 s HIS 92 N 1.67 3.41 -0.25 5.22 5.04 0.18 -2.61 115.29 127.95 2cr0 s HIS 92 Ca 0.01 1.08 -0.04 0.00 -1.54 0.00 0.00 55.06 54.57 2cr0 s HIS 92 Cb -0.15 -2.89 0.01 0.00 0.04 0.00 0.00 32.58 29.58 2cr0 s HIS 92 CO -0.08 -0.19 -0.02 -0.51 -2.34 0.00 0.00 174.74 171.61 2cr0 s LEU 93 N 1.95 3.20 -0.16 8.88 1.43 0.69 -2.28 118.68 132.39 2cr0 s LEU 93 Ca 0.33 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 2cr0 s LEU 93 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2cr0 s LEU 93 CO 0.12 -0.09 0.87 -0.70 0.23 0.00 0.00 176.35 176.78 2cr0 s GLU 94 N 1.44 4.31 -0.30 1.70 2.12 -1.26 -0.26 118.70 126.46 2cr0 s GLU 94 Ca 0.03 1.10 -0.28 0.00 0.36 0.00 0.00 54.97 56.18 2cr0 s GLU 94 Cb -0.16 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.67 2cr0 s GLU 94 CO -0.02 -0.34 1.00 0.15 -0.54 0.00 0.00 175.26 175.50 2cr0 s LYS 95 N 2.19 4.09 0.42 4.30 1.02 -1.25 -0.86 119.74 129.66 2cr0 s LYS 95 Ca 0.40 1.03 0.27 0.00 0.02 0.00 0.00 55.97 57.69 2cr0 s LYS 95 Cb -0.17 -3.71 1.37 0.00 -0.52 0.00 0.00 37.83 34.81 2cr0 s LYS 95 CO 0.13 -0.78 1.63 0.82 -0.92 0.00 0.00 175.35 176.22 2cr0 h ILE 96 N 5.63 0.15 -3.21 2.17 1.08 -1.91 -3.33 117.51 118.09 2cr0 h ILE 96 Ca -0.21 -0.04 -0.61 0.00 -0.39 0.00 0.00 64.86 63.61 2cr0 h ILE 96 Cb 1.07 0.02 -0.36 0.00 -3.07 0.00 0.00 36.82 34.48 2cr0 h ILE 96 CO 0.99 0.02 -0.83 0.20 -0.69 0.00 0.00 178.15 177.84 2cr0 s ASN 97 N -4.56 2.92 0.37 1.72 0.01 -1.26 -4.98 114.94 109.15 2cr0 s ASN 97 Ca -0.08 -0.62 0.27 0.00 -0.71 0.00 0.00 52.86 51.73 2cr0 s ASN 97 Cb 0.30 -1.20 1.17 0.00 0.41 0.00 0.00 41.25 41.93 2cr0 s ASN 97 CO 0.81 -0.08 1.82 0.11 -1.51 0.00 0.00 177.10 178.25 2cr0 h LYS 98 N 8.03 0.00 -1.03 -0.60 1.79 -1.71 -2.67 116.57 120.37 2cr0 h LYS 98 Ca -0.35 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.62 2cr0 h LYS 98 Cb 1.12 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.50 2cr0 h LYS 98 CO 0.51 0.00 0.63 -1.33 -1.08 0.00 0.00 179.45 178.19 2cr0 n MET 99 N -2.54 2.20 -4.31 3.15 2.81 -1.26 -4.23 117.12 112.96 2cr0 n MET 99 Ca 0.01 -2.73 -0.18 0.00 -1.81 0.00 0.00 57.70 53.00 2cr0 n MET 99 Cb 0.24 -2.07 -0.14 0.00 -0.71 0.00 0.00 33.22 30.54 2cr0 n MET 99 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cr0 s GLU 100 N -3.04 0.70 0.33 0.03 2.56 -1.01 -5.15 118.70 113.13 2cr0 s GLU 100 Ca 0.52 -0.43 0.07 0.00 0.00 0.00 0.00 54.97 55.14 2cr0 s GLU 100 Cb 0.43 -0.66 -0.02 0.00 2.00 0.00 0.00 34.13 35.88 2cr0 s GLU 100 CO 0.07 0.17 0.36 -1.58 -0.56 0.00 0.00 175.26 173.72 2cr0 s TRP 101 N -0.44 3.00 -0.00 5.30 0.52 -1.26 -4.57 118.94 121.49 2cr0 s TRP 101 Ca 0.01 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 55.94 2cr0 s TRP 101 Cb -0.05 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 2cr0 s TRP 101 CO 0.00 0.12 -0.22 -1.58 0.02 0.00 0.00 176.95 175.29 2cr0 s TRP 102 N -2.25 1.99 -0.58 -1.98 0.52 -1.26 -5.02 118.94 110.37 2cr0 s TRP 102 Ca 0.42 -0.38 0.22 0.00 0.02 0.00 0.00 56.10 56.38 2cr0 s TRP 102 Cb -0.07 -1.26 -0.11 0.00 -1.15 0.00 0.00 33.47 30.88 2cr0 s TRP 102 CO 0.28 0.00 0.87 0.27 0.02 0.00 0.00 176.95 178.40 2cr0 n ASN 103 N 2.35 0.58 -3.58 2.95 6.94 -1.26 -4.94 115.26 118.29 2cr0 n ASN 103 Ca -0.16 -0.37 -0.05 0.00 -0.02 0.00 0.00 54.58 53.99 2cr0 n ASN 103 Cb 0.52 1.11 -0.02 0.00 -2.36 0.00 0.00 39.78 39.04 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cr0 s ARG 104 N -3.22 0.47 -0.02 -3.83 1.70 -1.26 -2.74 118.95 110.05 2cr0 s ARG 104 Ca 0.02 -0.19 -0.20 0.00 -0.47 0.00 0.00 55.73 54.89 2cr0 s ARG 104 Cb 0.15 0.20 -0.12 0.00 -0.57 0.00 0.00 34.95 34.62 2cr0 s ARG 104 CO 0.84 -0.21 0.85 1.25 -1.08 0.00 0.00 175.30 176.95 2cr0 h LEU 105 N 2.00 -0.55 0.00 -1.89 5.85 -1.92 -3.41 115.31 115.39 2cr0 h LEU 105 Ca -0.15 -0.02 -0.47 0.00 0.84 0.00 0.00 57.88 58.09 2cr0 h LEU 105 Cb 1.19 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.26 2cr0 h LEU 105 CO 0.25 -0.13 -0.39 1.33 -0.34 0.00 0.00 178.44 179.16 2cr0 n VAL 106 N -5.21 0.00 0.55 1.05 0.24 -1.26 -3.52 118.33 110.18 2cr0 n VAL 106 Ca -0.09 -1.99 -0.02 0.00 -2.04 0.00 0.00 64.34 60.20 2cr0 n VAL 106 Cb 0.28 0.70 0.06 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.78 1.12 0.00 3.34 -2.24 0.15 -3.67 114.28 112.20 2cr0 n THR 107 Ca -0.05 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2cr0 n THR 107 Cb 0.51 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.14 2.47 -4.74 3.42 2.88 -1.26 -4.90 113.62 111.63 2cr0 n SER 108 Ca 0.10 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.34 2cr0 n SER 108 Cb 0.63 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.21 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 -4.38 3.99 0.88 -3.46 1.47 -1.24 -5.02 116.67 108.91 2cr0 s ASP 109 Ca 0.00 1.67 -0.11 0.00 1.18 0.00 0.00 52.55 55.29 2cr0 s ASP 109 Cb 0.00 -2.36 0.12 0.00 -0.34 0.00 0.00 42.92 40.34 2cr0 s ASP 109 CO 0.00 -2.34 1.09 -2.16 0.68 0.00 0.00 175.17 172.45 2cr0 s PRO 110 N -4.91 1.42 0.40 2.11 0.04 -1.26 -4.90 135.00 127.90 2cr0 s PRO 110 Ca 0.62 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2cr0 s PRO 110 Cb -0.18 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2cr0 s PRO 110 CO 0.56 -2.15 0.64 -1.21 0.04 0.00 0.00 177.00 174.89 2cr0 s GLU 111 N -4.93 3.48 -0.00 4.56 2.02 -1.26 -4.75 118.70 117.82 2cr0 s GLU 111 Ca 0.63 -0.15 -0.02 0.00 0.02 0.00 0.00 54.97 55.45 2cr0 s GLU 111 Cb -0.18 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2cr0 s GLU 111 CO 0.57 -0.01 0.03 0.96 0.02 0.00 0.00 175.26 176.83 2cr0 s ILE 112 N -2.49 0.05 0.18 -1.63 -4.36 -1.11 -5.06 121.20 106.79 2cr0 s ILE 112 Ca 0.43 -0.43 -0.33 0.00 -0.26 0.00 0.00 60.65 60.06 2cr0 s ILE 112 Cb -0.10 -0.19 -0.13 0.00 1.25 0.00 0.00 42.46 43.30 2cr0 s ILE 112 CO 0.39 -0.24 1.67 -3.20 0.24 0.00 0.00 174.94 173.81 2cr0 n ASN 113 N 2.30 3.61 -4.14 4.36 2.85 -1.26 -4.82 115.26 118.16 2cr0 n ASN 113 Ca -0.18 1.07 -0.25 0.00 -0.11 0.00 0.00 54.58 55.11 2cr0 n ASN 113 Cb 0.57 -1.51 -0.16 0.00 1.24 0.00 0.00 39.78 39.93 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2cr0 s THR 114 N 1.15 1.38 -0.56 -0.44 -4.23 -1.26 -5.09 115.64 106.59 2cr0 s THR 114 Ca 0.77 -0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 60.38 2cr0 s THR 114 Cb -0.58 -1.16 0.10 0.00 1.34 0.00 0.00 72.50 72.20 2cr0 s THR 114 CO 0.35 0.39 0.64 -0.75 -0.54 0.00 0.00 174.62 174.71 2cr0 s LYS 115 N -0.19 3.04 -0.64 3.99 2.20 -1.26 -5.01 119.74 121.88 2cr0 s LYS 115 Ca 0.02 -1.33 -0.12 0.00 -0.36 0.00 0.00 55.97 54.18 2cr0 s LYS 115 Cb -0.09 -4.24 0.16 0.00 -1.51 0.00 0.00 37.83 32.15 2cr0 s LYS 115 CO 0.01 -1.43 0.54 0.45 -0.36 0.00 0.00 175.35 174.56 2cr0 s SER 116 N 3.44 6.12 0.23 1.43 0.15 -1.26 -5.03 113.70 118.78 2cr0 s SER 116 Ca 0.10 -2.30 0.04 0.00 0.70 0.00 0.00 55.95 54.49 2cr0 s SER 116 Cb -0.25 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2cr0 s SER 116 CO 0.06 -0.64 0.14 0.61 1.20 0.00 0.00 173.24 174.61 2cr0 n GLY 117 N 4.45 3.42 0.28 9.45 0.00 -1.26 -5.04 105.19 116.50 2cr0 n GLY 117 Ca 0.01 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.29 2cr0 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr0 h PRO 118 N 0.00 0.00 -6.13 1.61 0.13 -2.00 -3.47 132.00 122.15 2cr0 h PRO 118 Ca -0.17 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.52 2cr0 h PRO 118 Cb 0.77 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.93 2cr0 h PRO 118 CO 0.26 0.01 -0.75 0.45 -0.23 0.00 0.00 178.00 177.74 2cr0 n SER 119 N -3.10 -4.49 -0.12 1.44 2.88 -1.26 -4.91 113.62 104.05 2cr0 n SER 119 Ca 0.00 -0.72 -0.24 0.00 -1.33 0.00 0.00 58.87 56.58 2cr0 n SER 119 Cb 0.30 -4.26 -0.08 0.00 -0.75 0.00 0.00 64.21 59.42 2cr0 n SER 119 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr0 n SER 120 N -2.93 1.94 -0.71 -3.46 2.88 -1.26 -5.31 113.62 104.77 2cr0 n SER 120 Ca -0.04 0.35 0.13 0.00 -1.33 0.00 0.00 58.87 57.99 2cr0 n SER 120 Cb 0.56 -0.82 0.32 0.00 -0.75 0.00 0.00 64.21 63.53 2cr0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42