#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 -0.60 -0.25 1.61 1.04 -1.26 -5.14 113.70 109.11 2cr0 s SER 2 Ca 0.00 1.06 -0.02 0.00 0.48 0.00 0.00 55.95 57.47 2cr0 s SER 2 Cb 0.00 1.00 0.08 0.00 0.10 0.00 0.00 66.02 67.20 2cr0 s SER 2 CO 0.00 -0.19 0.06 -0.44 0.98 0.00 0.00 173.24 173.65 2cr0 s SER 3 N 0.93 3.43 0.00 7.02 0.01 -1.26 -5.12 113.70 118.72 2cr0 s SER 3 Ca -0.05 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2cr0 s SER 3 Cb -0.06 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2cr0 s SER 3 CO -0.08 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2cr0 n GLY 4 N 4.97 5.50 3.74 3.44 0.00 -1.26 -5.09 105.19 116.48 2cr0 n GLY 4 Ca -0.06 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2cr0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr0 s SER 5 N 0.75 6.85 0.00 1.61 1.04 -1.26 -4.92 113.70 117.77 2cr0 s SER 5 Ca 0.00 2.45 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2cr0 s SER 5 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2cr0 s SER 5 CO 0.00 -0.56 0.00 -1.20 0.98 0.00 0.00 173.24 172.46 2cr0 n SER 6 N 2.59 1.37 -4.63 7.02 7.64 -1.26 -5.00 113.62 121.35 2cr0 n SER 6 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 2cr0 n SER 6 Cb 0.42 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2cr0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cr0 s GLY 7 N -4.65 1.74 0.07 0.23 0.00 -1.26 -4.83 107.32 98.61 2cr0 s GLY 7 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.46 2cr0 s GLY 7 CO 0.00 1.75 -0.09 -1.59 0.00 0.00 0.00 173.10 173.17 2cr0 s LYS 8 N 2.86 0.68 0.05 2.90 -2.85 -1.25 -4.96 119.74 117.16 2cr0 s LYS 8 Ca 0.33 -0.96 -0.31 0.00 -1.00 0.00 0.00 55.97 54.04 2cr0 s LYS 8 Cb -0.15 -0.40 -0.07 0.00 -2.06 0.00 0.00 37.83 35.15 2cr0 s LYS 8 CO 0.10 0.06 1.41 -1.25 0.10 0.00 0.00 175.35 175.77 2cr0 s PRO 9 N -2.20 4.29 0.49 1.78 0.04 -1.26 -1.03 135.00 137.10 2cr0 s PRO 9 Ca -0.02 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.98 2cr0 s PRO 9 Cb -0.06 -3.45 0.11 0.00 0.04 0.00 0.00 34.50 31.13 2cr0 s PRO 9 CO -0.00 -0.53 0.66 0.09 0.04 0.00 0.00 177.00 177.26 2cr0 n ASN 10 N 4.83 0.28 -0.12 6.66 3.02 -1.13 -4.87 115.26 123.93 2cr0 n ASN 10 Ca 0.13 -1.38 -0.09 0.00 -0.03 0.00 0.00 54.58 53.21 2cr0 n ASN 10 Cb 0.43 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.48 -3.17 3.41 6.46 -1.95 -2.86 115.31 117.67 2cr0 h LEU 11 Ca -0.22 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.35 2cr0 h LEU 11 Cb 0.65 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 2cr0 h LEU 11 CO 0.17 0.49 -0.01 0.61 -0.62 0.00 0.00 178.44 179.09 2cr0 n GLY 12 N -0.82 2.71 4.30 3.75 0.00 -1.26 -4.75 105.19 109.13 2cr0 n GLY 12 Ca -0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 1.51 -1.33 0.00 1.61 3.02 -1.08 -2.11 115.26 116.89 2cr0 n ASN 13 Ca 0.08 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2cr0 n ASN 13 Cb 0.56 -2.17 0.00 0.00 -0.61 0.00 0.00 39.78 37.55 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 -1.69 3.83 2.99 7.41 0.00 -1.25 -4.19 105.19 112.29 2cr0 n GLY 14 Ca -0.07 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 2cr0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr0 s ALA 15 N -2.40 -0.52 -0.55 4.61 0.00 -1.00 -2.83 121.76 119.08 2cr0 s ALA 15 Ca 0.00 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 2cr0 s ALA 15 Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.15 2cr0 s ALA 15 CO 0.00 -0.63 1.08 0.34 0.00 0.00 0.00 175.76 176.54 2cr0 s ASP 16 N 2.41 6.43 0.13 0.00 2.15 -0.20 -3.68 116.67 123.91 2cr0 s ASP 16 Ca 0.01 -0.03 0.04 0.00 0.43 0.00 0.00 52.55 53.01 2cr0 s ASP 16 Cb -0.12 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 2cr0 s ASP 16 CO -0.08 -1.34 0.12 -0.76 -0.17 0.00 0.00 175.17 172.94 2cr0 s LEU 17 N 4.46 3.82 0.53 -1.34 1.43 -0.79 -3.95 118.68 122.83 2cr0 s LEU 17 Ca 0.38 -0.07 0.33 0.00 -1.03 0.00 0.00 54.13 53.75 2cr0 s LEU 17 Cb -0.09 -2.46 1.38 0.00 0.03 0.00 0.00 46.19 45.04 2cr0 s LEU 17 CO 0.24 0.11 1.97 1.55 0.23 0.00 0.00 176.35 180.45 2cr0 h PRO 18 N 2.77 0.00 0.00 1.29 0.13 -1.95 -2.96 132.00 131.29 2cr0 h PRO 18 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 2cr0 h PRO 18 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2cr0 h PRO 18 CO 0.64 0.00 -1.90 -1.71 -0.23 0.00 0.00 178.00 174.81 2cr0 n ASN 19 N -3.00 0.67 -3.62 1.44 2.85 -1.26 -5.03 115.26 107.31 2cr0 n ASN 19 Ca 0.01 0.30 -0.02 0.00 -0.11 0.00 0.00 54.58 54.76 2cr0 n ASN 19 Cb 0.29 0.20 -0.01 0.00 1.24 0.00 0.00 39.78 41.50 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2cr0 s TYR 20 N -2.57 -0.10 -0.09 1.20 -0.85 -1.12 -4.37 117.35 109.45 2cr0 s TYR 20 Ca -0.07 -0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.51 2cr0 s TYR 20 Cb 0.07 0.54 0.01 0.00 0.38 0.00 0.00 41.96 42.96 2cr0 s TYR 20 CO 0.82 -0.32 -0.20 -0.98 -1.52 0.00 0.00 175.55 173.35 2cr0 s ARG 21 N -2.55 2.64 -0.01 -3.49 1.70 -0.49 -1.88 118.95 114.86 2cr0 s ARG 21 Ca 0.12 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.65 2cr0 s ARG 21 Cb 0.02 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.35 2cr0 s ARG 21 CO -0.04 0.11 -0.02 1.67 -1.08 0.00 0.00 175.30 175.94 2cr0 s TRP 22 N 0.50 0.29 0.24 5.89 1.48 -1.24 0.00 118.94 126.11 2cr0 s TRP 22 Ca -0.16 -0.04 0.11 0.00 -1.06 0.00 0.00 56.10 54.95 2cr0 s TRP 22 Cb -0.17 -0.24 -0.05 0.00 -1.16 0.00 0.00 33.47 31.86 2cr0 s TRP 22 CO 0.06 -0.04 -0.16 0.95 -4.06 0.00 0.00 176.95 173.71 2cr0 s THR 23 N 0.19 2.74 -0.02 0.66 -4.23 0.12 -2.36 115.64 112.73 2cr0 s THR 23 Ca -0.02 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 2cr0 s THR 23 Cb -0.04 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.40 2cr0 s THR 23 CO -0.00 -0.29 -0.06 0.00 -0.54 0.00 0.00 174.62 173.73 2cr0 s GLN 24 N -3.25 0.73 0.02 3.99 -2.07 -0.90 0.48 119.66 118.66 2cr0 s GLN 24 Ca 0.27 -0.19 0.03 0.00 -1.82 0.00 0.00 55.36 53.65 2cr0 s GLN 24 Cb -0.06 -0.71 -0.02 0.00 -1.09 0.00 0.00 33.01 31.13 2cr0 s GLN 24 CO 0.15 0.04 -0.09 0.95 -1.32 0.00 0.00 175.29 175.02 2cr0 s THR 25 N 0.35 0.68 0.47 3.63 -4.23 0.37 -4.40 115.64 112.52 2cr0 s THR 25 Ca -0.05 -0.72 0.39 0.00 -1.18 0.00 0.00 61.69 60.14 2cr0 s THR 25 Cb -0.09 -0.64 0.58 0.00 1.34 0.00 0.00 72.50 73.69 2cr0 s THR 25 CO 0.00 -0.06 1.27 0.18 -0.54 0.00 0.00 174.62 175.48 2cr0 n LEU 26 N 2.19 0.00 -0.00 4.79 4.77 -1.26 -0.72 117.00 126.76 2cr0 n LEU 26 Ca -0.17 0.80 -0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2cr0 n LEU 26 Cb 0.56 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2cr0 n LEU 26 CO 0.23 -0.80 0.04 0.00 -1.33 0.00 0.00 177.39 175.53 2cr0 h ALA 27 N 0.77 -0.08 -2.85 -1.18 0.00 -1.87 -3.36 119.26 110.68 2cr0 h ALA 27 Ca 0.73 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.44 2cr0 h ALA 27 Cb 3.07 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.77 2cr0 h ALA 27 CO -0.01 -0.08 -0.22 -1.83 0.00 0.00 0.00 179.25 177.11 2cr0 s GLU 28 N -1.30 1.70 -0.12 0.00 4.04 0.10 -3.78 118.70 119.34 2cr0 s GLU 28 Ca -0.00 -1.57 -0.00 0.00 0.04 0.00 0.00 54.97 53.43 2cr0 s GLU 28 Cb 0.00 0.43 -0.02 0.00 0.02 0.00 0.00 34.13 34.56 2cr0 s GLU 28 CO 0.01 -0.69 -0.10 -1.17 -1.84 0.00 0.00 175.26 171.46 2cr0 s LEU 29 N -3.15 2.89 0.07 1.83 0.20 0.74 -0.48 118.68 120.77 2cr0 s LEU 29 Ca 0.29 -0.23 0.05 0.00 0.69 0.00 0.00 54.13 54.93 2cr0 s LEU 29 Cb 0.01 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 2cr0 s LEU 29 CO 0.15 0.22 -0.05 -1.81 -0.29 0.00 0.00 176.35 174.57 2cr0 s ASP 30 N 0.06 4.70 0.02 3.68 1.01 0.18 -0.15 116.67 126.17 2cr0 s ASP 30 Ca -0.04 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.01 2cr0 s ASP 30 Cb -0.14 -1.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.73 2cr0 s ASP 30 CO 0.04 0.21 -0.05 -0.22 0.21 0.00 0.00 175.17 175.36 2cr0 s LEU 31 N -1.98 2.14 -0.20 1.23 2.96 -0.93 0.13 118.68 122.03 2cr0 s LEU 31 Ca 0.21 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2cr0 s LEU 31 Cb -0.11 -0.14 0.07 0.00 0.50 0.00 0.00 46.19 46.51 2cr0 s LEU 31 CO 0.13 -0.10 0.12 0.00 -1.32 0.00 0.00 176.35 175.18 2cr0 s ALA 32 N -0.80 0.34 -0.49 5.97 0.00 0.10 -1.74 121.76 125.15 2cr0 s ALA 32 Ca -0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 2cr0 s ALA 32 Cb -0.06 -1.16 0.11 0.00 0.00 0.00 0.00 23.12 22.01 2cr0 s ALA 32 CO -0.00 -1.28 0.39 0.08 0.00 0.00 0.00 175.76 174.94 2cr0 s VAL 33 N 2.16 4.60 0.02 0.00 1.01 -1.08 -1.40 120.40 125.71 2cr0 s VAL 33 Ca 0.04 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 2cr0 s VAL 33 Cb -0.16 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2cr0 s VAL 33 CO -0.16 -0.75 1.43 -2.16 0.00 0.00 0.00 175.10 173.46 2cr0 s PRO 34 N 1.47 4.27 -0.24 2.72 0.04 -1.26 -1.96 135.00 140.05 2cr0 s PRO 34 Ca 0.04 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2cr0 s PRO 34 Cb -0.27 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.74 2cr0 s PRO 34 CO 0.01 -0.58 -0.07 -0.06 0.04 0.00 0.00 177.00 176.34 2cr0 s PHE 35 N 2.32 3.01 -0.80 0.56 0.08 0.13 -4.96 117.98 118.31 2cr0 s PHE 35 Ca 0.65 -1.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.04 2cr0 s PHE 35 Cb -0.33 -2.06 -0.23 0.00 -0.57 0.00 0.00 43.02 39.83 2cr0 s PHE 35 CO 0.28 -0.69 1.92 -2.13 -0.10 0.00 0.00 175.22 174.50 2cr0 n ARG 36 N 4.70 0.61 -4.36 0.44 0.63 -1.26 -4.68 116.66 112.73 2cr0 n ARG 36 Ca -0.17 -1.73 -0.29 0.00 -0.92 0.00 0.00 57.85 54.73 2cr0 n ARG 36 Cb 0.48 -3.41 -0.12 0.00 0.45 0.00 0.00 32.46 29.86 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 11.82 2.48 -0.24 5.15 -7.23 -1.26 -5.03 120.40 126.08 2cr0 s VAL 37 Ca 0.72 -1.67 0.13 0.00 -1.81 0.00 0.00 61.98 59.36 2cr0 s VAL 37 Cb 0.03 -2.11 0.54 0.00 0.56 0.00 0.00 36.38 35.40 2cr0 s VAL 37 CO 0.21 0.09 1.48 -1.20 -0.31 0.00 0.00 175.10 175.37 2cr0 n SER 38 N 0.86 3.46 -2.72 4.85 7.64 -1.26 -4.91 113.62 121.53 2cr0 n SER 38 Ca -0.17 -3.32 -0.13 0.00 1.01 0.00 0.00 58.87 56.26 2cr0 n SER 38 Cb 0.53 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.73 -1.24 -3.06 1.43 -1.74 -1.26 -5.13 117.46 105.73 2cr0 n PHE 39 Ca 0.28 -2.05 -0.42 0.00 -0.56 0.00 0.00 57.45 54.71 2cr0 n PHE 39 Cb 1.01 0.45 -0.06 0.00 1.52 0.00 0.00 39.48 42.40 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 -2.73 3.66 0.49 3.97 3.52 -1.26 -4.50 118.95 122.09 2cr0 s ARG 40 Ca 0.26 0.09 -0.21 0.00 -0.13 0.00 0.00 55.73 55.73 2cr0 s ARG 40 Cb -0.01 -3.83 -0.07 0.00 -1.56 0.00 0.00 34.95 29.49 2cr0 s ARG 40 CO 0.18 -0.81 1.12 -0.51 -0.81 0.00 0.00 175.30 174.47 2cr0 s LEU 41 N 2.86 3.90 -0.00 -0.88 1.43 -1.08 -4.97 118.68 119.94 2cr0 s LEU 41 Ca 0.27 2.16 0.07 0.00 -1.03 0.00 0.00 54.13 55.59 2cr0 s LEU 41 Cb -0.14 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 2cr0 s LEU 41 CO 0.16 -0.95 -0.20 -0.54 0.23 0.00 0.00 176.35 175.04 2cr0 s LYS 42 N -2.98 2.17 0.45 1.70 -0.14 -1.26 -4.73 119.74 114.95 2cr0 s LYS 42 Ca 0.67 -0.90 0.33 0.00 -1.36 0.00 0.00 55.97 54.71 2cr0 s LYS 42 Cb -0.24 -2.17 1.50 0.00 -1.68 0.00 0.00 37.83 35.24 2cr0 s LYS 42 CO 0.28 0.57 1.58 0.78 -0.76 0.00 0.00 175.35 177.81 2cr0 h GLY 43 N 5.09 1.30 1.29 -3.33 0.00 -1.97 1.26 103.07 106.72 2cr0 h GLY 43 Ca -0.46 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 46.54 2cr0 h GLY 43 CO 0.48 -0.45 -0.91 0.07 0.00 0.00 0.00 176.54 175.73 2cr0 h LYS 44 N 0.02 0.66 -0.96 4.80 2.10 -2.03 -3.23 116.57 117.92 2cr0 h LYS 44 Ca 0.88 -0.63 0.06 0.00 -2.00 0.00 0.00 60.65 58.95 2cr0 h LYS 44 Cb 2.86 0.16 -0.06 0.00 -0.90 0.00 0.00 32.23 34.28 2cr0 h LYS 44 CO -0.44 1.23 0.62 -0.44 -2.00 0.00 0.00 179.45 178.42 2cr0 h ASP 45 N 0.41 1.00 -3.08 7.07 3.32 0.12 -3.43 116.42 121.83 2cr0 h ASP 45 Ca -0.09 0.01 -0.49 0.00 0.02 0.00 0.00 57.03 56.48 2cr0 h ASP 45 Cb 1.54 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.90 2cr0 h ASP 45 CO 0.18 0.65 -0.10 0.68 -1.72 0.00 0.00 179.24 178.93 2cr0 s VAL 46 N -6.06 5.04 -0.31 -1.35 -7.23 -0.81 -1.79 120.40 107.88 2cr0 s VAL 46 Ca -0.13 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 2cr0 s VAL 46 Cb 0.19 -3.84 0.10 0.00 0.56 0.00 0.00 36.38 33.39 2cr0 s VAL 46 CO 0.81 -0.60 0.07 -0.69 -0.31 0.00 0.00 175.10 174.38 2cr0 s VAL 47 N -2.39 1.30 -0.24 1.32 1.01 0.60 -4.70 120.40 117.31 2cr0 s VAL 47 Ca 0.43 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.79 2cr0 s VAL 47 Cb -0.10 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.38 2cr0 s VAL 47 CO 0.37 -0.60 -0.12 -0.69 0.00 0.00 0.00 175.10 174.06 2cr0 s VAL 48 N 1.41 2.32 -0.36 2.92 1.01 -1.26 -1.35 120.40 125.09 2cr0 s VAL 48 Ca 0.09 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 2cr0 s VAL 48 Cb -0.18 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.04 2cr0 s VAL 48 CO -0.19 0.18 0.15 -0.62 0.00 0.00 0.00 175.10 174.62 2cr0 s ASP 49 N 1.21 5.41 -0.23 3.32 -1.08 0.16 -4.96 116.67 120.50 2cr0 s ASP 49 Ca -0.03 -1.23 -0.10 0.00 -0.52 0.00 0.00 52.55 50.67 2cr0 s ASP 49 Cb -0.17 -1.90 -0.05 0.00 -1.46 0.00 0.00 42.92 39.34 2cr0 s ASP 49 CO -0.07 -0.38 0.15 -0.63 0.52 0.00 0.00 175.17 174.76 2cr0 s ILE 50 N 1.41 5.36 0.42 4.11 1.01 -1.26 -0.36 121.20 131.88 2cr0 s ILE 50 Ca -0.00 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2cr0 s ILE 50 Cb -0.20 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2cr0 s ILE 50 CO 0.03 0.37 0.07 -1.10 0.00 0.00 0.00 174.94 174.30 2cr0 s GLN 51 N 0.92 1.94 0.08 2.79 -1.52 0.20 -4.99 119.66 119.08 2cr0 s GLN 51 Ca 0.08 -2.17 -0.31 0.00 -1.95 0.00 0.00 55.36 51.01 2cr0 s GLN 51 Cb -0.13 -1.02 -0.17 0.00 -0.22 0.00 0.00 33.01 31.47 2cr0 s GLN 51 CO 0.03 -0.34 1.65 -0.09 -0.25 0.00 0.00 175.29 176.29 2cr0 h ARG 52 N 1.74 -0.67 -0.48 2.91 9.65 -1.98 -3.29 114.38 122.26 2cr0 h ARG 52 Ca -0.40 0.05 -0.35 0.00 -1.10 0.00 0.00 59.98 58.18 2cr0 h ARG 52 Cb 1.27 0.15 -0.31 0.00 -1.39 0.00 0.00 29.97 29.70 2cr0 h ARG 52 CO 0.67 -0.45 -0.78 -2.13 2.80 0.00 0.00 179.97 180.08 2cr0 n ARG 53 N -5.40 2.70 -3.57 0.20 0.63 -1.26 -0.54 116.66 109.42 2cr0 n ARG 53 Ca -0.12 -3.76 -0.15 0.00 -0.92 0.00 0.00 57.85 52.90 2cr0 n ARG 53 Cb 0.30 -1.92 -0.06 0.00 0.45 0.00 0.00 32.46 31.23 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 -3.35 -0.65 -0.07 -0.14 2.46 -1.24 -1.57 115.29 110.74 2cr0 s HIS 54 Ca 0.44 1.30 -0.08 0.00 0.47 0.00 0.00 55.06 57.20 2cr0 s HIS 54 Cb 0.39 0.37 0.02 0.00 -0.13 0.00 0.00 32.58 33.23 2cr0 s HIS 54 CO -0.01 -0.48 0.21 -1.17 -2.47 0.00 0.00 174.74 170.82 2cr0 s LEU 55 N -0.61 1.22 -0.01 8.88 2.96 -1.23 0.61 118.68 130.50 2cr0 s LEU 55 Ca -0.06 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2cr0 s LEU 55 Cb -0.02 0.75 0.01 0.00 0.50 0.00 0.00 46.19 47.43 2cr0 s LEU 55 CO 0.05 -0.13 0.02 -0.60 -1.32 0.00 0.00 176.35 174.37 2cr0 s ARG 56 N -0.15 -0.00 0.00 1.98 3.52 0.52 -3.32 118.95 121.49 2cr0 s ARG 56 Ca -0.03 0.06 -0.01 0.00 -0.13 0.00 0.00 55.73 55.63 2cr0 s ARG 56 Cb -0.02 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 2cr0 s ARG 56 CO 0.01 -0.05 0.01 0.08 -0.81 0.00 0.00 175.30 174.53 2cr0 s VAL 57 N 0.30 0.04 -2.25 7.11 1.01 0.68 0.37 120.40 127.66 2cr0 s VAL 57 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2cr0 s VAL 57 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.21 2cr0 s VAL 57 CO -0.01 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.50 2cr0 n GLY 58 N 2.47 -0.58 3.02 4.51 0.00 -0.45 -1.09 105.19 113.07 2cr0 n GLY 58 Ca -0.17 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 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 1.94 0.14 0.99 1.43 -1.26 -0.29 118.68 121.63 2cr0 s LEU 59 Ca 0.00 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 2cr0 s LEU 59 Cb 0.00 -0.52 -0.18 0.00 0.03 0.00 0.00 46.19 45.52 2cr0 s LEU 59 CO 0.00 0.10 0.66 1.17 0.23 0.00 0.00 176.35 178.51 2cr0 n LYS 60 N 3.00 0.00 0.00 1.70 3.00 -0.74 -1.34 118.16 123.78 2cr0 n LYS 60 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 2cr0 n LYS 60 Cb 0.56 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.46 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 1.84 1.23 3.68 3.14 0.00 -1.26 -4.91 105.19 108.91 2cr0 n GLY 61 Ca 0.18 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2cr0 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cr0 s GLN 62 N 0.00 1.10 0.40 1.61 -0.21 -0.45 -4.97 119.66 117.14 2cr0 s GLN 62 Ca 0.00 1.28 -0.25 0.00 0.02 0.00 0.00 55.36 56.41 2cr0 s GLN 62 Cb 0.00 -1.76 -0.08 0.00 1.00 0.00 0.00 33.01 32.17 2cr0 s GLN 62 CO 0.00 -2.49 1.19 -1.25 -2.12 0.00 0.00 175.29 170.62 2cr0 s PRO 63 N -4.72 4.03 -0.30 2.91 0.04 -1.26 -4.41 135.00 131.29 2cr0 s PRO 63 Ca 0.65 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2cr0 s PRO 63 Cb -0.21 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 2cr0 s PRO 63 CO 0.58 -0.35 1.67 -1.25 0.04 0.00 0.00 177.00 177.69 2cr0 s PRO 64 N -2.30 3.55 0.53 0.56 0.04 -1.26 -4.41 135.00 131.71 2cr0 s PRO 64 Ca 0.57 1.44 0.21 0.00 0.04 0.00 0.00 61.00 63.26 2cr0 s PRO 64 Cb -0.32 -4.11 1.35 0.00 0.04 0.00 0.00 34.50 31.46 2cr0 s PRO 64 CO 0.40 -1.59 2.07 -0.24 0.04 0.00 0.00 177.00 177.68 2cr0 h VAL 65 N 6.51 0.85 -3.31 -0.36 3.04 -1.48 -3.39 116.25 118.11 2cr0 h VAL 65 Ca -0.33 0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 64.91 2cr0 h VAL 65 Cb 1.15 0.86 -0.36 0.00 -2.01 0.00 0.00 31.29 30.93 2cr0 h VAL 65 CO 1.03 0.00 -0.78 -0.69 -1.01 0.00 0.00 177.57 176.12 2cr0 s VAL 66 N -5.03 0.58 -0.30 1.51 1.01 -0.69 -4.99 120.40 112.50 2cr0 s VAL 66 Ca -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2cr0 s VAL 66 Cb 0.18 -0.66 0.18 0.00 0.00 0.00 0.00 36.38 36.08 2cr0 s VAL 66 CO 0.70 0.27 0.64 1.51 0.00 0.00 0.00 175.10 178.22 2cr0 s ASP 67 N 1.53 -1.28 0.00 3.32 -4.77 -1.26 -0.23 116.67 113.98 2cr0 s ASP 67 Ca -0.01 0.94 0.00 0.00 -3.30 0.00 0.00 52.55 50.18 2cr0 s ASP 67 Cb -0.13 2.13 0.00 0.00 -1.09 0.00 0.00 42.92 43.83 2cr0 s ASP 67 CO -0.04 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.20 2cr0 n GLY 68 N 5.43 1.23 3.73 2.12 0.00 -1.21 -4.97 105.19 111.53 2cr0 n GLY 68 Ca -0.03 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 4.15 0.29 1.61 2.12 -1.26 -3.53 118.70 120.08 2cr0 s GLU 69 Ca 0.00 2.53 -0.29 0.00 0.36 0.00 0.00 54.97 57.57 2cr0 s GLU 69 Cb 0.00 -3.07 -0.10 0.00 0.26 0.00 0.00 34.13 31.22 2cr0 s GLU 69 CO 0.00 -0.66 1.22 -0.51 -0.54 0.00 0.00 175.26 174.78 2cr0 s LEU 70 N 0.44 4.48 0.29 2.70 1.43 -0.61 -0.96 118.68 126.45 2cr0 s LEU 70 Ca 0.68 2.48 0.04 0.00 -1.03 0.00 0.00 54.13 56.30 2cr0 s LEU 70 Cb -0.47 -3.63 0.71 0.00 0.03 0.00 0.00 46.19 42.82 2cr0 s LEU 70 CO 0.38 -0.37 1.74 0.22 0.23 0.00 0.00 176.35 178.55 2cr0 h TYR 71 N 3.84 0.85 -3.43 0.29 3.20 -1.71 -3.45 116.97 116.56 2cr0 h TYR 71 Ca -0.47 0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.20 2cr0 h TYR 71 Cb 1.22 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 2cr0 h TYR 71 CO 0.58 0.10 -0.23 -1.71 -1.64 0.00 0.00 178.16 175.26 2cr0 n ASN 72 N -4.91 -0.39 -4.80 -2.11 4.05 -1.26 -5.09 115.26 100.75 2cr0 n ASN 72 Ca 0.22 -2.11 -0.36 0.00 0.45 0.00 0.00 54.58 52.78 2cr0 n ASN 72 Cb 0.60 0.90 -0.06 0.00 1.23 0.00 0.00 39.78 42.44 2cr0 n ASN 72 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2cr0 s GLU 73 N -2.67 4.36 -0.05 1.20 2.02 -1.26 -4.61 118.70 117.69 2cr0 s GLU 73 Ca 0.20 1.06 -0.02 0.00 0.02 0.00 0.00 54.97 56.23 2cr0 s GLU 73 Cb 0.01 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.52 2cr0 s GLU 73 CO 0.14 0.29 0.05 0.14 0.02 0.00 0.00 175.26 175.90 2cr0 s VAL 74 N -1.66 -0.01 -0.95 2.63 -7.23 0.30 -3.18 120.40 110.31 2cr0 s VAL 74 Ca 0.48 0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 60.77 2cr0 s VAL 74 Cb -0.16 -0.23 -0.23 0.00 0.56 0.00 0.00 36.38 36.31 2cr0 s VAL 74 CO 0.21 0.20 2.53 1.17 -0.31 0.00 0.00 175.10 178.90 2cr0 n LYS 75 N 5.26 0.11 0.01 4.82 4.81 0.17 -4.46 118.16 128.88 2cr0 n LYS 75 Ca -0.04 -0.03 -0.12 0.00 -0.87 0.00 0.00 58.31 57.25 2cr0 n LYS 75 Cb 0.50 -1.62 0.01 0.00 0.02 0.00 0.00 35.03 33.94 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 7.73 1.33 -0.02 3.15 3.04 -1.87 0.38 116.25 129.99 2cr0 h VAL 76 Ca -0.04 -1.97 0.01 0.00 -1.01 0.00 0.00 66.70 63.68 2cr0 h VAL 76 Cb 1.25 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 32.48 2cr0 h VAL 76 CO 1.41 0.61 0.03 1.05 -1.01 0.00 0.00 177.57 179.67 2cr0 h GLU 77 N 0.41 0.00 0.00 4.17 4.11 -1.96 -2.90 114.58 118.40 2cr0 h GLU 77 Ca -0.02 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.13 2cr0 h GLU 77 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2cr0 h GLU 77 CO 0.13 0.00 -2.05 0.39 0.07 0.00 0.00 179.01 177.54 2cr0 n GLU 78 N -3.59 0.55 -0.91 1.06 -0.58 -1.13 -5.02 120.64 111.02 2cr0 n GLU 78 Ca -0.02 0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 2cr0 n GLU 78 Cb 0.11 -1.37 0.09 0.00 -0.57 0.00 0.00 31.44 29.70 2cr0 n GLU 78 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2cr0 n SER 79 N -3.00 -3.00 -3.65 1.62 7.64 0.13 -4.96 113.62 108.39 2cr0 n SER 79 Ca -0.32 0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2cr0 n SER 79 Cb 0.86 -1.09 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr0 s SER 80 N -1.68 -0.06 0.22 6.43 1.04 -0.90 -4.93 113.70 113.81 2cr0 s SER 80 Ca 0.54 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.69 2cr0 s SER 80 Cb -0.22 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2cr0 s SER 80 CO 0.70 -0.47 0.21 -1.66 0.98 0.00 0.00 173.24 173.00 2cr0 s TRP 81 N -2.47 1.04 0.08 5.02 1.48 -1.26 0.52 118.94 123.35 2cr0 s TRP 81 Ca 0.17 -1.27 -0.24 0.00 -1.06 0.00 0.00 56.10 53.69 2cr0 s TRP 81 Cb 0.02 -0.42 0.06 0.00 -1.16 0.00 0.00 33.47 31.97 2cr0 s TRP 81 CO -0.01 -0.73 0.59 -0.48 -4.06 0.00 0.00 176.95 172.26 2cr0 s LEU 82 N -3.15 -0.42 -0.14 -4.66 0.05 -0.02 -4.98 118.68 105.36 2cr0 s LEU 82 Ca 0.36 0.19 -0.21 0.00 0.05 0.00 0.00 54.13 54.53 2cr0 s LEU 82 Cb 0.05 2.43 -0.03 0.00 -2.05 0.00 0.00 46.19 46.59 2cr0 s LEU 82 CO 0.12 -0.82 0.60 -0.63 -0.55 0.00 0.00 176.35 175.07 2cr0 s ILE 83 N -2.85 5.08 -0.24 1.48 1.01 -1.26 -1.63 121.20 122.79 2cr0 s ILE 83 Ca -0.03 1.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 2cr0 s ILE 83 Cb -0.01 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2cr0 s ILE 83 CO -0.05 0.21 0.09 -1.61 0.00 0.00 0.00 174.94 173.58 2cr0 s GLU 84 N 1.24 3.76 -0.95 2.79 0.41 0.13 -4.50 118.70 121.57 2cr0 s GLU 84 Ca 0.30 -0.43 -0.06 0.00 -0.41 0.00 0.00 54.97 54.37 2cr0 s GLU 84 Cb -0.16 -3.36 0.05 0.00 -1.78 0.00 0.00 34.13 28.89 2cr0 s GLU 84 CO 0.12 -0.11 0.26 -0.25 -0.49 0.00 0.00 175.26 174.79 2cr0 n ASP 85 N 4.71 -2.81 -2.31 -0.19 8.00 -1.26 -0.72 116.55 121.96 2cr0 n ASP 85 Ca -0.16 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.22 2cr0 n ASP 85 Cb 0.52 -2.40 -0.00 0.00 -0.02 0.00 0.00 41.12 39.21 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 -0.89 -0.42 0.00 0.44 0.00 -1.26 -4.55 105.19 98.50 2cr0 n GLY 86 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2cr0 n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cr0 n LYS 87 N -2.34 2.44 -4.22 1.61 2.85 0.10 -2.64 118.16 115.96 2cr0 n LYS 87 Ca -0.01 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.05 2cr0 n LYS 87 Cb 0.45 -0.75 -0.12 0.00 -0.65 0.00 0.00 35.03 33.96 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 -1.28 1.22 -0.39 0.58 1.01 -0.32 0.18 120.40 121.41 2cr0 s VAL 88 Ca 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 60.68 2cr0 s VAL 88 Cb 0.00 -1.15 0.11 0.00 0.00 0.00 0.00 36.38 35.34 2cr0 s VAL 88 CO 0.00 -0.16 0.15 -0.69 0.00 0.00 0.00 175.10 174.40 2cr0 s VAL 89 N -1.19 2.90 0.10 2.92 1.01 -0.83 0.17 120.40 125.47 2cr0 s VAL 89 Ca -0.00 -2.22 -0.24 0.00 0.00 0.00 0.00 61.98 59.52 2cr0 s VAL 89 Cb -0.10 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2cr0 s VAL 89 CO 0.02 -0.66 0.73 0.42 0.00 0.00 0.00 175.10 175.61 2cr0 s THR 90 N 0.99 4.59 -0.14 3.92 -4.23 -0.64 -2.64 115.64 117.47 2cr0 s THR 90 Ca 0.10 1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 62.17 2cr0 s THR 90 Cb -0.21 -4.08 0.04 0.00 1.34 0.00 0.00 72.50 69.58 2cr0 s THR 90 CO -0.06 0.46 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.77 2cr0 s VAL 91 N -0.69 0.87 -0.15 2.29 1.01 -0.71 -0.84 120.40 122.18 2cr0 s VAL 91 Ca 0.35 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 2cr0 s VAL 91 Cb -0.21 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2cr0 s VAL 91 CO 0.23 0.14 0.62 -2.28 0.00 0.00 0.00 175.10 173.82 2cr0 s HIS 92 N 1.74 3.45 -0.23 5.22 5.04 0.19 -2.19 115.29 128.52 2cr0 s HIS 92 Ca 0.02 1.00 -0.01 0.00 -1.54 0.00 0.00 55.06 54.53 2cr0 s HIS 92 Cb -0.15 -2.76 0.02 0.00 0.04 0.00 0.00 32.58 29.73 2cr0 s HIS 92 CO -0.07 -0.05 -0.09 -0.51 -2.34 0.00 0.00 174.74 171.67 2cr0 s LEU 93 N 1.42 2.87 -0.23 8.88 1.43 0.79 -2.13 118.68 131.71 2cr0 s LEU 93 Ca 0.30 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 2cr0 s LEU 93 Cb -0.16 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2cr0 s LEU 93 CO 0.12 -0.07 0.90 -0.70 0.23 0.00 0.00 176.35 176.83 2cr0 s GLU 94 N 1.34 4.22 -0.41 1.70 2.56 -1.26 -0.18 118.70 126.66 2cr0 s GLU 94 Ca 0.02 1.09 -0.29 0.00 0.00 0.00 0.00 54.97 55.79 2cr0 s GLU 94 Cb -0.15 -3.64 0.01 0.00 2.00 0.00 0.00 34.13 32.35 2cr0 s GLU 94 CO -0.06 -0.54 1.32 0.15 -0.56 0.00 0.00 175.26 175.56 2cr0 s LYS 95 N 2.92 3.66 0.28 4.30 1.02 -1.25 0.41 119.74 131.08 2cr0 s LYS 95 Ca 0.38 0.88 0.19 0.00 0.02 0.00 0.00 55.97 57.43 2cr0 s LYS 95 Cb -0.15 -3.97 0.98 0.00 -0.52 0.00 0.00 37.83 34.17 2cr0 s LYS 95 CO 0.07 -1.45 1.09 -0.89 -0.92 0.00 0.00 175.35 173.24 2cr0 n ILE 96 N 6.89 -0.23 -4.09 2.17 2.08 -1.19 -3.63 119.36 121.35 2cr0 n ILE 96 Ca 0.15 1.32 -0.30 0.00 0.56 0.00 0.00 62.75 64.48 2cr0 n ILE 96 Cb 0.48 -2.16 -0.16 0.00 -0.75 0.00 0.00 39.64 37.05 2cr0 n ILE 96 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2cr0 s ASN 97 N -4.51 2.66 0.44 4.38 3.84 -1.26 -4.99 114.94 115.49 2cr0 s ASN 97 Ca -0.06 -0.48 0.30 0.00 0.21 0.00 0.00 52.86 52.83 2cr0 s ASN 97 Cb 0.22 -1.17 1.21 0.00 -0.55 0.00 0.00 41.25 40.96 2cr0 s ASN 97 CO 0.55 -0.04 1.88 0.11 -2.79 0.00 0.00 177.10 176.81 2cr0 h LYS 98 N 7.95 0.00 -1.04 0.43 1.79 -1.71 -2.81 116.57 121.18 2cr0 h LYS 98 Ca -0.37 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.65 2cr0 h LYS 98 Cb 1.14 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.54 2cr0 h LYS 98 CO 0.52 0.00 0.58 -1.33 -1.08 0.00 0.00 179.45 178.14 2cr0 n MET 99 N -2.77 2.10 -4.20 3.15 2.81 -1.26 -4.16 117.12 112.79 2cr0 n MET 99 Ca 0.01 -2.49 -0.16 0.00 -1.81 0.00 0.00 57.70 53.25 2cr0 n MET 99 Cb 0.28 -1.98 -0.13 0.00 -0.71 0.00 0.00 33.22 30.68 2cr0 n MET 99 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cr0 s GLU 100 N -2.77 0.61 0.43 0.03 2.56 -1.06 -5.10 118.70 113.39 2cr0 s GLU 100 Ca 0.48 -0.50 0.08 0.00 0.00 0.00 0.00 54.97 55.03 2cr0 s GLU 100 Cb 0.39 -0.53 -0.00 0.00 2.00 0.00 0.00 34.13 36.00 2cr0 s GLU 100 CO 0.07 0.13 0.48 -1.58 -0.56 0.00 0.00 175.26 173.80 2cr0 s TRP 101 N -0.66 2.68 -0.02 5.30 0.52 -1.26 -4.49 118.94 121.00 2cr0 s TRP 101 Ca -0.02 -0.47 0.04 0.00 0.02 0.00 0.00 56.10 55.68 2cr0 s TRP 101 Cb -0.06 -2.26 -0.01 0.00 -1.15 0.00 0.00 33.47 29.99 2cr0 s TRP 101 CO 0.00 -0.31 -0.14 -1.58 0.02 0.00 0.00 176.95 174.95 2cr0 s TRP 102 N -2.43 1.35 -0.25 -1.98 0.52 -1.26 -5.02 118.94 109.87 2cr0 s TRP 102 Ca 0.51 -0.32 0.23 0.00 0.02 0.00 0.00 56.10 56.54 2cr0 s TRP 102 Cb -0.06 -0.90 -0.01 0.00 -1.15 0.00 0.00 33.47 31.34 2cr0 s TRP 102 CO 0.30 -0.08 1.00 -1.71 0.02 0.00 0.00 176.95 176.49 2cr0 n ASN 103 N 2.97 0.76 -3.60 2.95 2.85 -1.26 -4.98 115.26 114.94 2cr0 n ASN 103 Ca -0.16 0.27 -0.03 0.00 -0.11 0.00 0.00 54.58 54.55 2cr0 n ASN 103 Cb 0.54 0.59 -0.01 0.00 1.24 0.00 0.00 39.78 42.13 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cr0 s ARG 104 N -3.36 0.42 -0.01 1.20 1.70 -1.26 -2.89 118.95 114.74 2cr0 s ARG 104 Ca -0.01 -0.19 -0.24 0.00 -0.47 0.00 0.00 55.73 54.83 2cr0 s ARG 104 Cb 0.10 0.17 -0.16 0.00 -0.57 0.00 0.00 34.95 34.49 2cr0 s ARG 104 CO 0.80 -0.19 1.10 1.25 -1.08 0.00 0.00 175.30 177.19 2cr0 h LEU 105 N 2.00 -0.30 -9.40 -1.89 5.85 -1.93 -3.39 115.31 106.26 2cr0 h LEU 105 Ca -0.18 -0.23 -0.57 0.00 0.84 0.00 0.00 57.88 57.75 2cr0 h LEU 105 Cb 1.19 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 42.16 2cr0 h LEU 105 CO 0.25 0.13 -0.49 0.68 -0.34 0.00 0.00 178.44 178.67 2cr0 s VAL 106 N -4.22 0.43 -0.23 1.05 -7.23 -1.26 -2.76 120.40 106.18 2cr0 s VAL 106 Ca -0.14 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 2cr0 s VAL 106 Cb 0.02 -2.31 0.13 0.00 0.56 0.00 0.00 36.38 34.78 2cr0 s VAL 106 CO 0.52 0.00 1.10 0.35 -0.31 0.00 0.00 175.10 176.75 2cr0 n THR 107 N -0.91 1.26 0.00 5.32 -2.24 -0.13 -3.77 114.28 113.81 2cr0 n THR 107 Ca -0.04 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2cr0 n THR 107 Cb 0.64 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 0.17 0.01 -4.60 3.42 2.88 -1.26 -4.97 113.62 109.28 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 0.67 -0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.32 2cr0 n SER 108 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2cr0 n ASP 109 N -2.95 -0.41 -4.77 -3.46 5.68 -1.25 -4.95 116.55 104.44 2cr0 n ASP 109 Ca 0.00 0.24 -0.38 0.00 -0.50 0.00 0.00 54.79 54.15 2cr0 n ASP 109 Cb 0.43 -1.40 -0.01 0.00 -1.14 0.00 0.00 41.12 39.00 2cr0 n ASP 109 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2cr0 s PRO 110 N -4.51 3.87 0.51 0.11 0.04 -1.26 -4.93 135.00 128.84 2cr0 s PRO 110 Ca 0.67 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 63.36 2cr0 s PRO 110 Cb -0.23 -2.52 -0.08 0.00 0.04 0.00 0.00 34.50 31.71 2cr0 s PRO 110 CO 0.61 -0.47 0.98 -1.21 0.04 0.00 0.00 177.00 176.95 2cr0 s GLU 111 N -2.53 3.95 -0.01 4.56 8.01 -1.26 -4.83 118.70 126.59 2cr0 s GLU 111 Ca 0.61 0.98 0.01 0.00 0.01 0.00 0.00 54.97 56.58 2cr0 s GLU 111 Cb -0.30 -2.14 0.01 0.00 -4.31 0.00 0.00 34.13 27.39 2cr0 s GLU 111 CO 0.37 -0.27 -0.03 0.96 0.01 0.00 0.00 175.26 176.30 2cr0 s ILE 112 N -2.58 0.29 0.47 -1.63 -4.36 -1.14 -5.08 121.20 107.17 2cr0 s ILE 112 Ca 0.59 -0.10 -0.22 0.00 -0.26 0.00 0.00 60.65 60.66 2cr0 s ILE 112 Cb -0.10 -0.29 -0.10 0.00 1.25 0.00 0.00 42.46 43.22 2cr0 s ILE 112 CO 0.30 0.11 0.73 -3.20 0.24 0.00 0.00 174.94 173.12 2cr0 n ASN 113 N 3.33 -0.09 -4.13 4.36 5.15 -1.26 -4.80 115.26 117.82 2cr0 n ASN 113 Ca -0.17 0.90 -0.13 0.00 -0.60 0.00 0.00 54.58 54.58 2cr0 n ASN 113 Cb 0.56 -1.23 -0.10 0.00 -0.53 0.00 0.00 39.78 38.49 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2cr0 s THR 114 N -1.47 0.00 0.16 -0.44 -4.23 -1.26 -5.06 115.64 103.34 2cr0 s THR 114 Ca 0.66 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.28 2cr0 s THR 114 Cb -0.54 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 2cr0 s THR 114 CO 0.56 0.00 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.71 2cr0 s LYS 115 N -4.10 1.77 -0.19 3.99 2.20 -1.26 -5.12 119.74 117.03 2cr0 s LYS 115 Ca 0.39 -1.31 -0.02 0.00 -0.36 0.00 0.00 55.97 54.67 2cr0 s LYS 115 Cb 0.06 -2.04 0.06 0.00 -1.51 0.00 0.00 37.83 34.40 2cr0 s LYS 115 CO 0.13 0.44 0.02 -1.12 -0.36 0.00 0.00 175.35 174.46 2cr0 s SER 116 N -2.49 2.91 0.00 1.43 0.01 -1.26 -4.93 113.70 109.38 2cr0 s SER 116 Ca 0.21 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2cr0 s SER 116 Cb -0.09 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2cr0 s SER 116 CO 0.11 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2cr0 n GLY 117 N 5.00 0.81 3.59 3.44 0.00 -1.26 -4.99 105.19 111.78 2cr0 n GLY 117 Ca -0.09 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.06 3.30 -1.40 1.61 0.04 -1.26 -3.17 135.00 134.07 2cr0 s PRO 118 Ca 0.00 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.18 2cr0 s PRO 118 Cb 0.00 -4.18 0.04 0.00 0.04 0.00 0.00 34.50 30.39 2cr0 s PRO 118 CO 0.00 -1.90 1.02 0.43 0.04 0.00 0.00 177.00 176.59 2cr0 n SER 119 N 10.27 -4.50 -2.63 6.66 7.64 -1.26 -1.91 113.62 127.88 2cr0 n SER 119 Ca 0.21 -0.68 -0.15 0.00 1.01 0.00 0.00 58.87 59.26 2cr0 n SER 119 Cb 0.48 -4.48 0.06 0.00 -1.01 0.00 0.00 64.21 59.26 2cr0 n SER 119 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cr0 n SER 120 N -2.97 -4.31 -0.19 6.43 2.88 -1.19 -5.31 113.62 108.96 2cr0 n SER 120 Ca -0.06 -0.38 0.02 0.00 -1.33 0.00 0.00 58.87 57.12 2cr0 n SER 120 Cb 0.58 -3.63 0.02 0.00 -0.75 0.00 0.00 64.21 60.43 2cr0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42