#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca3 n ASP 2 N 0.00 0.08 -4.10 0.00 5.68 -1.26 -5.04 116.55 111.91 2ca3 n ASP 2 Ca 0.00 -1.80 -0.09 0.00 -0.50 0.00 0.00 54.79 52.39 2ca3 n ASP 2 Cb 0.00 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 39.80 2ca3 n ASP 2 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2ca3 s THR 3 N 0.00 0.41 0.38 2.12 -4.23 -1.26 -0.82 115.64 112.23 2ca3 s THR 3 Ca 0.10 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2ca3 s THR 3 Cb 0.12 -1.29 -0.05 0.00 1.34 0.00 0.00 72.50 72.62 2ca3 s THR 3 CO -0.05 -0.81 0.07 0.68 -0.54 0.00 0.00 174.62 173.97 2ca3 s VAL 4 N -3.17 1.05 -0.10 2.29 -7.23 -0.36 -4.83 120.40 108.05 2ca3 s VAL 4 Ca 0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2ca3 s VAL 4 Cb 0.02 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.40 2ca3 s VAL 4 CO -0.06 0.00 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.79 2ca3 s THR 5 N -3.18 0.84 0.45 5.32 2.01 -1.26 -1.34 115.64 118.47 2ca3 s THR 5 Ca 0.29 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.90 2ca3 s THR 5 Cb 0.06 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 2ca3 s THR 5 CO 0.14 0.34 1.02 -0.76 -0.69 0.00 0.00 174.62 174.67 2ca3 s LEU 6 N 1.78 3.96 0.00 4.42 1.43 0.10 -4.92 118.68 125.45 2ca3 s LEU 6 Ca 0.05 1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 55.01 2ca3 s LEU 6 Cb -0.12 -4.44 -0.23 0.00 0.03 0.00 0.00 46.19 41.43 2ca3 s LEU 6 CO -0.07 -0.59 3.23 -0.81 0.23 0.00 0.00 176.35 178.34 2ca3 n PRO 7 N -0.61 1.75 -4.06 1.29 -0.05 -1.26 -4.35 135.00 127.72 2ca3 n PRO 7 Ca 0.07 -0.85 -0.10 0.00 -0.05 0.00 0.00 63.50 62.58 2ca3 n PRO 7 Cb 0.52 -1.89 -0.08 0.00 -0.05 0.00 0.00 33.50 32.00 2ca3 n PRO 7 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 2ca3 s PHE 8 N 1.13 0.65 0.38 0.54 -0.12 -1.26 -5.02 117.98 114.27 2ca3 s PHE 8 Ca 0.57 -0.97 -0.28 0.00 -0.05 0.00 0.00 56.93 56.20 2ca3 s PHE 8 Cb 0.27 -0.16 -0.10 0.00 -0.63 0.00 0.00 43.02 42.40 2ca3 s PHE 8 CO 0.00 -0.77 1.41 0.00 -0.05 0.00 0.00 175.22 175.81 2ca3 s ALA 9 N -4.05 3.48 -1.17 1.99 0.00 -1.26 -2.46 121.76 118.29 2ca3 s ALA 9 Ca 0.26 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.54 2ca3 s ALA 9 Cb 0.03 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2ca3 s ALA 9 CO 0.07 -0.94 0.78 -1.71 0.00 0.00 0.00 175.76 173.96 2ca3 n ASN 10 N 0.43 -4.49 -1.09 0.00 5.15 -1.26 -4.94 115.26 109.07 2ca3 n ASN 10 Ca 0.01 -0.91 0.11 0.00 -0.60 0.00 0.00 54.58 53.20 2ca3 n ASN 10 Cb 0.41 -3.91 0.19 0.00 -0.53 0.00 0.00 39.78 35.94 2ca3 n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ca3 n GLY 11 N -1.57 1.58 3.76 8.20 0.00 -1.03 -4.98 105.19 111.14 2ca3 n GLY 11 Ca -0.14 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2ca3 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ca3 s GLU 12 N -1.52 4.44 -0.06 1.61 2.12 -1.26 0.03 118.70 124.06 2ca3 s GLU 12 Ca 0.36 2.06 -0.07 0.00 0.36 0.00 0.00 54.97 57.67 2ca3 s GLU 12 Cb 0.21 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.48 2ca3 s GLU 12 CO 0.30 -0.10 0.20 1.03 -0.54 0.00 0.00 175.26 176.15 2ca3 s ARG 13 N -1.22 0.30 0.46 4.30 1.81 -0.45 -4.92 118.95 119.22 2ca3 s ARG 13 Ca 0.50 0.16 -0.22 0.00 -1.72 0.00 0.00 55.73 54.44 2ca3 s ARG 13 Cb -0.37 0.14 -0.08 0.00 -0.45 0.00 0.00 34.95 34.19 2ca3 s ARG 13 CO 0.46 -0.05 1.12 -1.25 -0.68 0.00 0.00 175.30 174.90 2ca3 s PRO 14 N -0.19 3.79 -0.15 3.54 0.04 -1.26 -1.22 135.00 139.55 2ca3 s PRO 14 Ca -0.03 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 2ca3 s PRO 14 Cb -0.03 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 2ca3 s PRO 14 CO 0.01 -0.49 0.73 -0.51 0.04 0.00 0.00 177.00 176.78 2ca3 s LEU 15 N -3.10 4.20 0.12 -3.56 1.43 -0.00 -1.11 118.68 116.66 2ca3 s LEU 15 Ca 0.64 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 2ca3 s LEU 15 Cb -0.25 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2ca3 s LEU 15 CO 0.31 -0.29 -0.19 0.68 0.23 0.00 0.00 176.35 177.09 2ca3 s VAL 16 N 1.73 1.64 -0.19 -1.59 -7.23 0.18 -4.85 120.40 110.07 2ca3 s VAL 16 Ca 0.35 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2ca3 s VAL 16 Cb -0.17 -1.57 0.04 0.00 0.56 0.00 0.00 36.38 35.23 2ca3 s VAL 16 CO 0.13 -0.18 -0.14 -0.04 -0.31 0.00 0.00 175.10 174.57 2ca3 s MET 17 N -2.19 2.37 0.16 4.82 -1.94 -1.26 -1.12 119.30 120.14 2ca3 s MET 17 Ca 0.08 -0.87 0.08 0.00 -1.71 0.00 0.00 55.69 53.27 2ca3 s MET 17 Cb -0.08 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.24 2ca3 s MET 17 CO 0.04 -0.36 -0.07 0.71 -0.01 0.00 0.00 175.02 175.34 2ca3 s TYR 18 N 1.34 2.72 0.39 -0.03 2.02 -1.26 -5.05 117.35 117.48 2ca3 s TYR 18 Ca 0.00 -0.18 -0.27 0.00 -0.37 0.00 0.00 57.07 56.25 2ca3 s TYR 18 Cb -0.15 -1.35 -0.10 0.00 -0.40 0.00 0.00 41.96 39.95 2ca3 s TYR 18 CO -0.09 0.49 1.46 -2.30 -1.57 0.00 0.00 175.55 173.53 2ca3 n PRO 19 N 0.19 2.52 -0.71 -1.71 -0.02 -1.26 -1.15 135.00 132.86 2ca3 n PRO 19 Ca -0.11 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2ca3 n PRO 19 Cb 0.54 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2ca3 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ca3 n GLY 20 N 0.51 0.54 3.37 -1.23 0.00 -1.26 -4.95 105.19 102.17 2ca3 n GLY 20 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2ca3 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ca3 s LYS 21 N -0.49 1.59 0.97 1.61 -0.14 -0.30 -4.24 119.74 118.74 2ca3 s LYS 21 Ca 0.00 -1.23 -0.13 0.00 -1.36 0.00 0.00 55.97 53.24 2ca3 s LYS 21 Cb 0.00 -1.94 0.17 0.00 -1.68 0.00 0.00 37.83 34.38 2ca3 s LYS 21 CO 0.00 0.48 1.14 -0.98 -0.76 0.00 0.00 175.35 175.23 2ca3 s ARG 22 N -1.66 0.69 0.30 1.68 1.70 -0.16 -4.32 118.95 117.17 2ca3 s ARG 22 Ca 0.13 0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.32 2ca3 s ARG 22 Cb -0.10 -1.79 -0.11 0.00 -0.57 0.00 0.00 34.95 32.38 2ca3 s ARG 22 CO 0.04 -2.49 1.55 -2.14 -1.08 0.00 0.00 175.30 171.18 2ca3 s PRO 23 N -5.29 4.14 0.26 3.89 0.02 -1.26 -4.62 135.00 132.15 2ca3 s PRO 23 Ca 0.66 2.53 0.02 0.00 0.02 0.00 0.00 61.00 64.23 2ca3 s PRO 23 Cb -0.14 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 2ca3 s PRO 23 CO 0.54 -0.58 0.07 -0.51 -0.33 0.00 0.00 177.00 176.20 2ca3 s LEU 24 N -0.72 1.82 -0.43 -5.54 1.43 -0.27 -4.87 118.68 110.08 2ca3 s LEU 24 Ca 0.61 -1.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.07 2ca3 s LEU 24 Cb -0.47 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 45.69 2ca3 s LEU 24 CO 0.49 -0.68 1.09 -0.63 0.23 0.00 0.00 176.35 176.85 2ca3 s ILE 25 N -3.63 4.33 -0.34 -0.59 1.01 -0.26 -0.65 121.20 121.07 2ca3 s ILE 25 Ca 0.36 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 2ca3 s ILE 25 Cb 0.08 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 38.03 2ca3 s ILE 25 CO 0.13 -0.84 1.20 -0.83 0.00 0.00 0.00 174.94 174.59 2ca3 s GLY 26 N 2.22 1.43 -0.15 6.18 0.00 -0.27 -0.63 107.32 116.10 2ca3 s GLY 26 Ca 0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 44.72 45.02 2ca3 s GLY 26 CO 0.27 2.45 -0.21 -0.10 0.00 0.00 0.00 173.10 175.50 2ca3 n LEU 27 N 7.40 1.81 -4.24 0.66 7.94 0.14 -4.21 117.00 126.51 2ca3 n LEU 27 Ca 0.13 0.56 -0.17 0.00 -1.11 0.00 0.00 56.01 55.43 2ca3 n LEU 27 Cb 0.47 -0.84 -0.11 0.00 0.53 0.00 0.00 43.42 43.48 2ca3 n LEU 27 CO 0.63 -0.43 -0.44 0.42 -1.11 0.00 0.00 177.39 176.46 2ca3 s THR 28 N -2.37 1.26 -0.20 1.96 -4.23 -1.10 -4.98 115.64 105.99 2ca3 s THR 28 Ca -0.18 -1.76 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 2ca3 s THR 28 Cb 0.02 -1.56 -0.22 0.00 1.34 0.00 0.00 72.50 72.08 2ca3 s THR 28 CO 0.26 -0.49 0.05 0.00 -0.54 0.00 0.00 174.62 173.90 2ca3 n ALA 29 N 0.41 1.44 -3.58 3.99 0.00 -1.26 -1.40 120.51 120.11 2ca3 n ALA 29 Ca -0.15 -1.16 -0.29 0.00 0.00 0.00 0.00 53.44 51.84 2ca3 n ALA 29 Cb 0.58 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.63 2ca3 n ALA 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2ca3 s ARG 30 N -2.51 0.48 0.83 0.00 3.52 -1.26 -2.17 118.95 117.84 2ca3 s ARG 30 Ca -0.19 -0.96 -0.11 0.00 -0.13 0.00 0.00 55.73 54.34 2ca3 s ARG 30 Cb 0.07 -1.47 0.09 0.00 -1.56 0.00 0.00 34.95 32.08 2ca3 s ARG 30 CO 0.75 -1.07 1.10 -1.25 -0.81 0.00 0.00 175.30 174.02 2ca3 s PRO 31 N 1.61 1.81 0.06 5.12 0.04 -1.26 -4.77 135.00 137.61 2ca3 s PRO 31 Ca 0.12 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 2ca3 s PRO 31 Cb -0.19 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2ca3 s PRO 31 CO -0.22 -1.82 1.36 -2.14 0.04 0.00 0.00 177.00 174.22 2ca3 s PRO 32 N -5.09 4.32 -0.09 0.56 0.02 -0.92 -4.64 135.00 129.16 2ca3 s PRO 32 Ca 0.62 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.62 2ca3 s PRO 32 Cb -0.16 -3.39 0.03 0.00 0.02 0.00 0.00 34.50 31.00 2ca3 s PRO 32 CO 0.55 -0.46 -0.03 -0.65 -0.33 0.00 0.00 177.00 176.08 2ca3 s GLN 33 N 1.58 1.00 -0.04 5.54 -0.21 -0.50 -4.02 119.66 123.02 2ca3 s GLN 33 Ca 0.63 -0.05 0.03 0.00 0.02 0.00 0.00 55.36 55.99 2ca3 s GLN 33 Cb -0.34 -1.22 0.00 0.00 1.00 0.00 0.00 33.01 32.45 2ca3 s GLN 33 CO 0.29 -0.28 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.56 2ca3 s LEU 34 N 1.81 1.76 0.05 2.90 1.43 0.59 -0.68 118.68 126.55 2ca3 s LEU 34 Ca 0.04 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2ca3 s LEU 34 Cb -0.12 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 2ca3 s LEU 34 CO -0.06 0.07 0.00 -0.70 0.23 0.00 0.00 176.35 175.89 2ca3 s GLU 35 N 0.29 2.67 -0.07 1.70 2.12 0.20 -1.01 118.70 124.60 2ca3 s GLU 35 Ca -0.06 -0.73 -0.24 0.00 0.36 0.00 0.00 54.97 54.30 2ca3 s GLU 35 Cb -0.11 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 2ca3 s GLU 35 CO 0.01 0.58 0.72 0.99 -0.54 0.00 0.00 175.26 177.03 2ca3 s THR 36 N -1.21 5.03 0.32 -1.70 2.01 -0.71 -1.10 115.64 118.27 2ca3 s THR 36 Ca 0.23 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 2ca3 s THR 36 Cb -0.12 -4.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.21 2ca3 s THR 36 CO 0.15 0.23 1.38 -2.65 -0.69 0.00 0.00 174.62 173.04 2ca3 n PRO 37 N 3.90 2.27 0.25 4.92 -0.02 -1.26 -4.24 135.00 140.83 2ca3 n PRO 37 Ca -0.00 0.80 0.08 0.00 -2.02 0.00 0.00 63.50 62.36 2ca3 n PRO 37 Cb 0.51 -2.45 0.63 0.00 -0.02 0.00 0.00 33.50 32.17 2ca3 n PRO 37 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2ca3 h PHE 38 N 3.23 0.00 -0.43 6.00 3.57 -1.96 -2.10 116.94 125.24 2ca3 h PHE 38 Ca -0.47 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.16 2ca3 h PHE 38 Cb 1.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 2ca3 h PHE 38 CO 0.53 0.09 0.33 0.66 -2.23 0.00 0.00 178.31 177.69 2ca3 h SER 39 N 0.00 0.00 -0.61 0.41 4.64 -1.92 -2.04 113.55 114.03 2ca3 h SER 39 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2ca3 h SER 39 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 2ca3 h SER 39 CO 0.01 0.00 0.40 0.58 -0.87 0.00 0.00 176.83 176.96 2ca3 h VAL 40 N 0.00 1.03 0.00 0.95 2.07 -1.74 -2.30 116.25 116.26 2ca3 h VAL 40 Ca 0.20 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2ca3 h VAL 40 Cb 0.86 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2ca3 h VAL 40 CO -0.00 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.20 2ca3 n PHE 41 N -4.47 0.48 1.31 1.57 3.72 -0.76 -0.74 117.46 118.57 2ca3 n PHE 41 Ca 0.08 0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.80 2ca3 n PHE 41 Cb 0.19 -0.81 0.38 0.00 -0.94 0.00 0.00 39.48 38.31 2ca3 n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2ca3 n ASP 42 N -1.94 1.50 -0.49 4.37 2.03 -0.87 -4.39 116.55 116.77 2ca3 n ASP 42 Ca 0.03 -1.31 0.12 0.00 0.52 0.00 0.00 54.79 54.15 2ca3 n ASP 42 Cb 0.20 0.09 0.47 0.00 -0.72 0.00 0.00 41.12 41.16 2ca3 n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ca3 n GLU 43 N -0.05 1.65 0.00 -0.67 1.02 0.08 -5.00 120.64 117.68 2ca3 n GLU 43 Ca 0.15 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 2ca3 n GLU 43 Cb 0.38 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2ca3 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ca3 n GLY 44 N 1.14 4.44 0.20 0.62 0.00 -1.26 -4.98 105.19 105.34 2ca3 n GLY 44 Ca 0.18 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.91 2ca3 n GLY 44 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ca3 h LEU 45 N 0.00 0.00 -8.75 0.99 3.38 -1.95 -3.42 115.31 105.57 2ca3 h LEU 45 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2ca3 h LEU 45 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 2ca3 h LEU 45 CO 0.00 0.31 -0.64 -0.63 0.09 0.00 0.00 178.44 177.57 2ca3 s ILE 46 N -3.50 4.16 -0.07 1.22 1.01 -1.26 -4.71 121.20 118.05 2ca3 s ILE 46 Ca 0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 2ca3 s ILE 46 Cb 0.10 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 2ca3 s ILE 46 CO 0.67 0.41 1.26 -0.89 0.00 0.00 0.00 174.94 176.39 2ca3 s THR 47 N 1.03 4.14 0.59 2.92 2.01 -0.09 -4.99 115.64 121.25 2ca3 s THR 47 Ca 0.03 1.46 -0.20 0.00 0.31 0.00 0.00 61.69 63.29 2ca3 s THR 47 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2ca3 s THR 47 CO 0.02 -0.03 1.29 -2.84 -0.69 0.00 0.00 174.62 172.37 2ca3 s PRO 48 N 2.54 2.90 0.34 4.92 0.02 -1.26 -4.77 135.00 139.68 2ca3 s PRO 48 Ca 0.58 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.74 2ca3 s PRO 48 Cb -0.26 -2.03 0.80 0.00 0.02 0.00 0.00 34.50 33.04 2ca3 s PRO 48 CO 0.22 -1.33 1.84 -0.91 -0.33 0.00 0.00 177.00 176.49 2ca3 h ASN 49 N 1.00 0.69 0.80 2.53 4.21 -1.94 -1.20 115.58 121.66 2ca3 h ASN 49 Ca -0.51 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.06 2ca3 h ASN 49 Cb 1.31 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2ca3 h ASN 49 CO 0.55 0.32 0.00 -0.90 -1.29 0.00 0.00 177.43 176.11 2ca3 n ASP 50 N -4.61 0.36 -0.02 5.81 5.68 -1.26 -2.75 116.55 119.76 2ca3 n ASP 50 Ca 0.19 0.57 0.06 0.00 -0.50 0.00 0.00 54.79 55.11 2ca3 n ASP 50 Cb 0.51 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.77 2ca3 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ca3 n ALA 51 N -1.64 3.53 -1.91 2.12 0.00 -0.50 -0.99 120.51 121.12 2ca3 n ALA 51 Ca 0.04 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2ca3 n ALA 51 Cb 0.25 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 2ca3 n ALA 51 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2ca3 s PHE 52 N -2.10 3.12 0.80 0.00 5.36 -0.90 -4.63 117.98 119.63 2ca3 s PHE 52 Ca 0.05 1.15 -0.11 0.00 -0.96 0.00 0.00 56.93 57.06 2ca3 s PHE 52 Cb 0.09 -3.71 0.08 0.00 -0.34 0.00 0.00 43.02 39.14 2ca3 s PHE 52 CO 0.48 -2.24 1.12 -0.59 -1.46 0.00 0.00 175.22 172.53 2ca3 s PHE 53 N -0.11 2.23 -0.06 10.12 -0.12 -1.26 -4.97 117.98 123.81 2ca3 s PHE 53 Ca 0.57 1.64 0.01 0.00 -0.05 0.00 0.00 56.93 59.09 2ca3 s PHE 53 Cb -0.39 -3.19 0.02 0.00 -0.63 0.00 0.00 43.02 38.82 2ca3 s PHE 53 CO 0.42 -2.18 -0.05 0.08 -0.05 0.00 0.00 175.22 173.44 2ca3 s VAL 54 N -2.68 0.63 -0.01 -2.49 1.01 -0.18 -4.92 120.40 111.77 2ca3 s VAL 54 Ca 0.65 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2ca3 s VAL 54 Cb -0.20 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 2ca3 s VAL 54 CO 0.54 0.26 -0.07 -0.04 0.00 0.00 0.00 175.10 175.80 2ca3 s MET 55 N 1.20 0.66 0.06 2.72 -1.94 -1.26 -0.30 119.30 120.44 2ca3 s MET 55 Ca -0.06 -0.24 -0.05 0.00 -1.71 0.00 0.00 55.69 53.63 2ca3 s MET 55 Cb -0.14 -0.65 -0.02 0.00 2.01 0.00 0.00 34.83 36.04 2ca3 s MET 55 CO -0.02 0.12 0.08 0.71 -0.01 0.00 0.00 175.02 175.90 2ca3 s TYR 56 N 0.03 0.32 -0.10 -0.03 2.02 -1.26 -5.04 117.35 113.29 2ca3 s TYR 56 Ca -0.00 -0.77 0.13 0.00 -0.37 0.00 0.00 57.07 56.06 2ca3 s TYR 56 Cb -0.05 -0.22 -0.19 0.00 -0.40 0.00 0.00 41.96 41.10 2ca3 s TYR 56 CO -0.00 -0.44 0.13 0.72 -1.57 0.00 0.00 175.55 174.39 2ca3 n HIS 57 N 0.19 0.00 -4.94 2.71 8.25 -1.26 -4.89 115.22 115.28 2ca3 n HIS 57 Ca -0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.03 2ca3 n HIS 57 Cb 0.61 -0.58 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 2ca3 n HIS 57 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2ca3 s LEU 58 N -4.73 1.94 0.56 2.41 1.43 -1.26 -4.86 118.68 114.17 2ca3 s LEU 58 Ca -0.06 -0.40 0.25 0.00 -1.03 0.00 0.00 54.13 52.88 2ca3 s LEU 58 Cb 0.06 -1.09 1.57 0.00 0.03 0.00 0.00 46.19 46.76 2ca3 s LEU 58 CO 0.58 0.16 2.16 0.00 0.23 0.00 0.00 176.35 179.48 2ca3 h ALA 59 N 6.31 1.83 -0.15 4.21 0.00 -1.86 -3.34 119.26 126.26 2ca3 h ALA 59 Ca -0.31 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 2ca3 h ALA 59 Cb 1.18 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2ca3 h ALA 59 CO 0.48 -0.13 2.28 0.41 0.00 0.00 0.00 179.25 182.28 2ca3 n GLY 60 N -1.44 4.10 3.80 0.00 0.00 -1.00 -4.71 105.19 105.95 2ca3 n GLY 60 Ca -0.01 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2ca3 n GLY 60 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ca3 s ILE 61 N 0.98 3.95 0.34 -0.61 -4.36 -1.25 -1.56 121.20 118.69 2ca3 s ILE 61 Ca 0.66 1.24 -0.28 0.00 -0.26 0.00 0.00 60.65 62.00 2ca3 s ILE 61 Cb 0.23 -3.51 -0.10 0.00 1.25 0.00 0.00 42.46 40.33 2ca3 s ILE 61 CO -0.06 -0.24 1.25 -2.16 0.24 0.00 0.00 174.94 173.97 2ca3 s PRO 62 N -3.16 4.34 0.00 0.37 0.04 -1.26 -4.92 135.00 130.41 2ca3 s PRO 62 Ca 0.65 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2ca3 s PRO 62 Cb -0.15 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2ca3 s PRO 62 CO 0.18 -0.15 0.83 1.28 0.04 0.00 0.00 177.00 179.18 2ca3 n LEU 63 N 0.74 1.35 -3.68 -3.56 4.77 -1.26 -4.99 117.00 110.36 2ca3 n LEU 63 Ca 0.01 -1.35 -0.10 0.00 -0.03 0.00 0.00 56.01 54.54 2ca3 n LEU 63 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2ca3 n LEU 63 CO 0.57 0.34 0.05 -0.70 -1.33 0.00 0.00 177.39 176.32 2ca3 s GLU 64 N -0.66 0.38 -0.07 3.23 2.12 -1.26 -5.16 118.70 117.28 2ca3 s GLU 64 Ca 0.00 0.86 -0.03 0.00 0.36 0.00 0.00 54.97 56.17 2ca3 s GLU 64 Cb 0.00 0.07 0.04 0.00 0.26 0.00 0.00 34.13 34.50 2ca3 s GLU 64 CO 0.00 -0.19 0.15 0.42 -0.54 0.00 0.00 175.26 175.10 2ca3 s ILE 65 N 1.75 -0.08 -0.44 -3.70 1.01 -1.26 -5.11 121.20 113.36 2ca3 s ILE 65 Ca -0.07 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 2ca3 s ILE 65 Cb -0.09 -0.25 0.03 0.00 0.01 0.00 0.00 42.46 42.16 2ca3 s ILE 65 CO -0.13 0.09 0.54 -0.62 0.00 0.00 0.00 174.94 174.82 2ca3 s ASP 66 N 1.34 6.25 0.53 3.58 2.15 -1.26 -4.95 116.67 124.31 2ca3 s ASP 66 Ca -0.07 -0.60 0.20 0.00 0.43 0.00 0.00 52.55 52.50 2ca3 s ASP 66 Cb -0.12 -2.27 1.41 0.00 -0.30 0.00 0.00 42.92 41.64 2ca3 s ASP 66 CO -0.06 -0.71 2.16 1.55 -0.17 0.00 0.00 175.17 177.94 2ca3 h PRO 67 N 8.83 0.00 -0.46 4.34 0.13 -1.99 -1.88 132.00 140.97 2ca3 h PRO 67 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 2ca3 h PRO 67 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2ca3 h PRO 67 CO 0.86 0.02 -0.20 -0.44 -0.23 0.00 0.00 178.00 178.01 2ca3 h ASP 68 N 0.00 0.94 1.33 1.44 3.32 -2.05 -3.22 116.42 118.18 2ca3 h ASP 68 Ca -0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 2ca3 h ASP 68 Cb 0.05 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2ca3 h ASP 68 CO 0.00 1.11 -0.68 0.00 -1.72 0.00 0.00 179.24 177.95 2ca3 h ALA 69 N 0.96 0.69 -2.12 3.45 0.00 -1.82 -3.47 119.26 116.94 2ca3 h ALA 69 Ca 0.11 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 2ca3 h ALA 69 Cb 0.75 0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.65 2ca3 h ALA 69 CO 0.06 0.13 0.43 0.34 0.00 0.00 0.00 179.25 180.22 2ca3 n PHE 70 N -2.87 1.79 -4.24 0.00 7.35 -0.77 -5.01 117.46 113.70 2ca3 n PHE 70 Ca 0.00 0.56 -0.18 0.00 -0.76 0.00 0.00 57.45 57.07 2ca3 n PHE 70 Cb 0.59 -2.37 -0.15 0.00 0.35 0.00 0.00 39.48 37.89 2ca3 n PHE 70 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2ca3 s ARG 71 N -0.70 0.63 -0.33 -4.13 1.81 -1.26 -4.24 118.95 110.73 2ca3 s ARG 71 Ca 0.67 -0.22 -0.16 0.00 -1.72 0.00 0.00 55.73 54.30 2ca3 s ARG 71 Cb -0.71 -0.62 -0.01 0.00 -0.45 0.00 0.00 34.95 33.16 2ca3 s ARG 71 CO 0.53 0.10 0.41 -1.17 -0.68 0.00 0.00 175.30 174.49 2ca3 s LEU 72 N 0.07 4.33 -0.14 2.53 2.96 0.92 -4.73 118.68 124.62 2ca3 s LEU 72 Ca -0.01 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 2ca3 s LEU 72 Cb -0.05 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2ca3 s LEU 72 CO -0.00 -0.35 0.53 -1.61 -1.32 0.00 0.00 176.35 173.61 2ca3 s GLU 73 N 2.13 4.31 -0.20 1.98 0.41 -0.03 -0.60 118.70 126.69 2ca3 s GLU 73 Ca 0.14 0.52 -0.02 0.00 -0.41 0.00 0.00 54.97 55.20 2ca3 s GLU 73 Cb -0.16 -3.48 0.00 0.00 -1.78 0.00 0.00 34.13 28.71 2ca3 s GLU 73 CO 0.12 0.03 -0.09 0.42 -0.49 0.00 0.00 175.26 175.25 2ca3 s ILE 74 N 1.01 2.96 0.35 -1.63 -1.09 0.40 -0.72 121.20 122.48 2ca3 s ILE 74 Ca 0.27 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 2ca3 s ILE 74 Cb -0.16 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.42 2ca3 s ILE 74 CO 0.11 0.46 0.52 2.29 -1.23 0.00 0.00 174.94 177.09 2ca3 n LYS 75 N 4.69 0.74 0.00 2.79 2.85 0.09 -1.14 118.16 128.18 2ca3 n LYS 75 Ca -0.19 -2.64 0.00 0.00 -1.05 0.00 0.00 58.31 54.43 2ca3 n LYS 75 Cb 0.51 2.63 0.00 0.00 -0.65 0.00 0.00 35.03 37.52 2ca3 n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ca3 n GLY 76 N -0.56 0.85 2.33 2.58 0.00 -1.26 -0.90 105.19 108.23 2ca3 n GLY 76 Ca -0.01 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 2ca3 n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ca3 n LYS 77 N 4.54 3.75 -4.24 1.61 4.76 0.30 -4.85 118.16 124.03 2ca3 n LYS 77 Ca 0.00 -2.39 -0.18 0.00 -2.87 0.00 0.00 58.31 52.87 2ca3 n LYS 77 Cb 0.00 -2.69 -0.11 0.00 -1.84 0.00 0.00 35.03 30.39 2ca3 n LYS 77 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ca3 s VAL 78 N 1.26 1.35 0.13 -0.18 -7.23 -1.26 -1.80 120.40 112.66 2ca3 s VAL 78 Ca 0.66 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.99 2ca3 s VAL 78 Cb 0.20 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 2ca3 s VAL 78 CO -0.07 -0.38 1.58 1.23 -0.31 0.00 0.00 175.10 177.15 2ca3 h GLY 79 N 3.58 0.77 -7.39 2.32 0.00 -0.76 -3.42 103.07 98.17 2ca3 h GLY 79 Ca -0.40 -0.55 -0.56 0.00 0.00 0.00 0.00 47.33 45.81 2ca3 h GLY 79 CO 0.49 0.51 -0.78 -1.59 0.00 0.00 0.00 176.54 175.17 2ca3 s THR 80 N -5.06 1.06 0.50 4.70 2.01 -0.14 -5.05 115.64 113.67 2ca3 s THR 80 Ca -0.13 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 60.79 2ca3 s THR 80 Cb 0.10 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.14 2ca3 s THR 80 CO 0.79 -0.10 1.23 -2.16 -0.69 0.00 0.00 174.62 173.69 2ca3 s PRO 81 N 1.62 3.50 0.06 4.92 0.04 -1.26 -4.49 135.00 139.38 2ca3 s PRO 81 Ca -0.03 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2ca3 s PRO 81 Cb -0.18 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2ca3 s PRO 81 CO -0.07 -0.81 -0.21 -0.51 0.04 0.00 0.00 177.00 175.45 2ca3 s LEU 82 N -3.28 2.21 -0.28 -3.56 1.43 -0.30 -4.97 118.68 109.92 2ca3 s LEU 82 Ca 0.67 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2ca3 s LEU 82 Cb -0.32 -0.94 0.08 0.00 0.03 0.00 0.00 46.19 45.04 2ca3 s LEU 82 CO 0.38 0.13 -0.01 -0.55 0.23 0.00 0.00 176.35 176.53 2ca3 s SER 83 N -1.39 4.30 -0.16 2.29 0.15 -1.26 -0.45 113.70 117.18 2ca3 s SER 83 Ca 0.07 -1.60 -0.03 0.00 0.70 0.00 0.00 55.95 55.09 2ca3 s SER 83 Cb -0.09 -1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 2ca3 s SER 83 CO 0.02 -0.30 -0.07 -0.76 1.20 0.00 0.00 173.24 173.34 2ca3 s LEU 84 N 1.20 3.03 0.77 3.45 1.43 0.23 -4.87 118.68 123.91 2ca3 s LEU 84 Ca 0.01 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2ca3 s LEU 84 Cb -0.19 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2ca3 s LEU 84 CO -0.09 0.14 1.09 -0.94 0.23 0.00 0.00 176.35 176.78 2ca3 s SER 85 N 0.53 4.81 0.37 2.29 1.04 -1.26 -0.06 113.70 121.42 2ca3 s SER 85 Ca -0.05 1.28 0.06 0.00 0.48 0.00 0.00 55.95 57.71 2ca3 s SER 85 Cb -0.15 -2.04 0.71 0.00 0.10 0.00 0.00 66.02 64.64 2ca3 s SER 85 CO 0.03 -1.76 1.95 -0.07 0.98 0.00 0.00 173.24 174.37 2ca3 h LEU 86 N -0.94 0.48 -0.46 2.42 3.38 -1.82 -1.66 115.31 116.70 2ca3 h LEU 86 Ca -0.46 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2ca3 h LEU 86 Cb 1.26 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2ca3 h LEU 86 CO 0.60 0.47 0.13 -0.61 0.09 0.00 0.00 178.44 179.12 2ca3 h GLN 87 N 0.53 0.73 -0.25 1.13 4.15 -1.93 -0.66 115.11 118.81 2ca3 h GLN 87 Ca 0.13 -0.17 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2ca3 h GLN 87 Cb 0.16 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 2ca3 h GLN 87 CO -0.01 0.71 -0.10 -0.44 -1.93 0.00 0.00 178.83 177.06 2ca3 h ASP 88 N 0.62 -0.35 -0.75 -0.69 3.32 -1.84 -1.30 116.42 115.42 2ca3 h ASP 88 Ca 0.15 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.32 2ca3 h ASP 88 Cb 0.30 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 2ca3 h ASP 88 CO -0.00 -0.13 0.48 -0.07 -1.72 0.00 0.00 179.24 177.79 2ca3 h LEU 89 N -0.06 0.79 -0.75 1.55 3.38 -1.05 0.76 115.31 119.92 2ca3 h LEU 89 Ca 0.13 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2ca3 h LEU 89 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ca3 h LEU 89 CO -0.29 0.55 -0.57 0.11 0.09 0.00 0.00 178.44 178.32 2ca3 h LYS 90 N 0.94 0.00 0.00 1.13 1.57 -0.84 -3.34 116.57 116.03 2ca3 h LYS 90 Ca 0.30 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.78 2ca3 h LYS 90 Cb 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 2ca3 h LYS 90 CO -0.11 0.57 -2.14 0.09 -0.57 0.00 0.00 179.45 177.29 2ca3 n ASN 91 N -3.70 1.55 0.00 0.86 3.02 -0.52 -4.65 115.26 111.82 2ca3 n ASN 91 Ca -0.01 -0.05 0.11 0.00 -0.03 0.00 0.00 54.58 54.60 2ca3 n ASN 91 Cb 0.61 0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 40.15 2ca3 n ASN 91 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ca3 n ASP 92 N -2.81 0.81 -4.16 6.41 8.00 0.23 -4.89 116.55 120.14 2ca3 n ASP 92 Ca -0.31 -0.72 -0.26 0.00 0.71 0.00 0.00 54.79 54.22 2ca3 n ASP 92 Cb 0.97 0.86 -0.16 0.00 -0.02 0.00 0.00 41.12 42.78 2ca3 n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ca3 s PHE 93 N -3.04 1.70 0.71 1.24 0.08 -1.25 -5.07 117.98 112.35 2ca3 s PHE 93 Ca 0.08 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.56 2ca3 s PHE 93 Cb 0.16 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2ca3 s PHE 93 CO 0.83 -0.10 1.21 -1.25 -0.10 0.00 0.00 175.22 175.81 2ca3 s PRO 94 N -0.21 2.26 0.17 0.24 0.04 -1.26 -4.80 135.00 131.44 2ca3 s PRO 94 Ca 0.02 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 2ca3 s PRO 94 Cb -0.09 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2ca3 s PRO 94 CO 0.01 -1.74 0.41 0.00 0.04 0.00 0.00 177.00 175.72 2ca3 s ALA 95 N -1.91 3.75 0.22 8.56 0.00 -1.26 -4.58 121.76 126.53 2ca3 s ALA 95 Ca 0.75 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.26 2ca3 s ALA 95 Cb -0.30 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 2ca3 s ALA 95 CO 0.44 0.62 -0.09 -1.54 0.00 0.00 0.00 175.76 175.18 2ca3 s SER 96 N -2.47 2.41 0.01 0.00 1.04 0.55 -4.98 113.70 110.25 2ca3 s SER 96 Ca 0.42 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2ca3 s SER 96 Cb -0.12 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 2ca3 s SER 96 CO 0.24 -0.29 -0.02 -1.61 0.98 0.00 0.00 173.24 172.54 2ca3 s GLU 97 N -3.71 0.18 -0.10 4.02 2.02 -1.26 -1.48 118.70 118.36 2ca3 s GLU 97 Ca 0.24 -0.21 -0.07 0.00 0.02 0.00 0.00 54.97 54.96 2ca3 s GLU 97 Cb 0.02 -0.08 0.04 0.00 0.10 0.00 0.00 34.13 34.20 2ca3 s GLU 97 CO 0.08 0.02 0.26 0.54 0.02 0.00 0.00 175.26 176.17 2ca3 s VAL 98 N -0.40 -0.02 -0.26 2.63 0.11 -0.50 -4.99 120.40 116.97 2ca3 s VAL 98 Ca -0.03 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 2ca3 s VAL 98 Cb -0.03 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2ca3 s VAL 98 CO -0.00 0.03 0.62 -0.69 -3.33 0.00 0.00 175.10 171.73 2ca3 s VAL 99 N 0.77 4.99 -0.11 2.04 1.01 -1.26 -0.56 120.40 127.27 2ca3 s VAL 99 Ca -0.05 1.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 2ca3 s VAL 99 Cb -0.06 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2ca3 s VAL 99 CO -0.05 0.02 0.30 0.00 0.00 0.00 0.00 175.10 175.37 2ca3 s ALA 100 N 2.50 -0.74 0.13 5.51 0.00 0.07 -2.73 121.76 126.50 2ca3 s ALA 100 Ca 0.26 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 2ca3 s ALA 100 Cb -0.15 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 2ca3 s ALA 100 CO 0.09 -0.15 1.22 0.08 0.00 0.00 0.00 175.76 177.00 2ca3 s VAL 101 N 0.35 3.69 -0.16 0.00 1.01 -0.58 -2.13 120.40 122.59 2ca3 s VAL 101 Ca -0.02 1.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 2ca3 s VAL 101 Cb -0.03 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2ca3 s VAL 101 CO -0.01 0.16 -0.03 0.21 0.00 0.00 0.00 175.10 175.42 2ca3 s ASN 102 N 0.58 4.83 -0.05 3.32 2.47 0.41 -4.61 114.94 121.89 2ca3 s ASN 102 Ca 0.56 -0.12 -0.02 0.00 0.42 0.00 0.00 52.86 53.71 2ca3 s ASN 102 Cb -0.32 -1.79 0.04 0.00 -1.45 0.00 0.00 41.25 37.73 2ca3 s ASN 102 CO 0.33 0.17 0.09 -1.58 -3.72 0.00 0.00 177.10 172.40 2ca3 s GLN 103 N 0.37 0.03 0.32 0.43 0.74 -1.26 -1.14 119.66 119.14 2ca3 s GLN 103 Ca -0.04 0.30 -0.29 0.00 0.05 0.00 0.00 55.36 55.38 2ca3 s GLN 103 Cb -0.14 -0.22 -0.12 0.00 1.10 0.00 0.00 33.01 33.63 2ca3 s GLN 103 CO 0.03 -0.17 1.42 0.00 -0.55 0.00 0.00 175.29 176.02 2ca3 h SER 105 N 3.47 -0.08 -0.54 0.00 0.02 -1.91 -1.93 113.55 112.58 2ca3 h SER 105 Ca -0.47 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2ca3 h SER 105 Cb 1.26 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2ca3 h SER 105 CO 0.69 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2ca3 n GLY 106 N -1.39 3.09 3.60 -3.77 0.00 -1.26 -1.71 105.19 103.74 2ca3 n GLY 106 Ca 0.27 -0.91 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 2ca3 n GLY 106 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ca3 n ASN 107 N 0.60 1.67 0.00 1.61 5.15 -0.73 -0.79 115.26 122.77 2ca3 n ASN 107 Ca 0.26 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.37 2ca3 n ASN 107 Cb 1.03 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 2ca3 n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ca3 n SER 108 N 2.13 -1.26 -0.27 1.20 7.64 0.90 -4.50 113.62 119.46 2ca3 n SER 108 Ca 0.15 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.27 2ca3 n SER 108 Cb 0.25 -0.49 0.57 0.00 -1.01 0.00 0.00 64.21 63.53 2ca3 n SER 108 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2ca3 h ARG 109 N 1.99 0.28 0.00 1.43 2.43 -0.76 0.56 114.38 120.31 2ca3 h ARG 109 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ca3 h ARG 109 Cb 0.04 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2ca3 h ARG 109 CO 0.00 0.19 -0.00 0.78 -1.51 0.00 0.00 179.97 179.42 2ca3 h GLY 110 N 0.29 0.00 0.79 2.80 0.00 -0.90 -2.03 103.07 104.02 2ca3 h GLY 110 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2ca3 h GLY 110 CO -0.18 0.00 -0.51 0.69 0.00 0.00 0.00 176.54 176.54 2ca3 n PHE 111 N -3.16 0.00 -2.01 5.60 3.72 0.19 -4.81 117.46 116.99 2ca3 n PHE 111 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2ca3 n PHE 111 Cb 0.09 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.40 2ca3 n PHE 111 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2ca3 s VAL 112 N -2.93 2.59 -0.07 -4.37 1.01 -0.76 -5.00 120.40 110.86 2ca3 s VAL 112 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2ca3 s VAL 112 Cb 0.18 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2ca3 s VAL 112 CO 0.69 0.10 -0.05 -0.70 0.00 0.00 0.00 175.10 175.14 2ca3 s GLU 113 N -0.91 1.06 0.63 2.72 2.12 -1.26 -2.60 118.70 120.45 2ca3 s GLU 113 Ca 0.56 -0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.58 2ca3 s GLU 113 Cb -0.42 -1.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.81 2ca3 s GLU 113 CO 0.48 -0.17 1.26 -1.25 -0.54 0.00 0.00 175.26 175.04 2ca3 s PRO 114 N 1.36 2.72 0.40 4.30 0.04 -1.26 -4.91 135.00 137.64 2ca3 s PRO 114 Ca -0.03 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.73 2ca3 s PRO 114 Cb -0.14 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 2ca3 s PRO 114 CO -0.03 -1.44 1.02 0.54 0.04 0.00 0.00 177.00 177.13 2ca3 n ARG 115 N -1.78 1.39 -4.34 4.56 5.12 -1.07 -5.03 116.66 115.50 2ca3 n ARG 115 Ca 0.15 0.50 -0.22 0.00 -1.93 0.00 0.00 57.85 56.34 2ca3 n ARG 115 Cb 0.49 -2.03 -0.11 0.00 -1.16 0.00 0.00 32.46 29.65 2ca3 n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2ca3 s VAL 116 N -1.24 1.88 0.78 1.55 -7.23 -1.26 -5.11 120.40 109.77 2ca3 s VAL 116 Ca 0.62 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 2ca3 s VAL 116 Cb -0.58 -1.87 0.06 0.00 0.56 0.00 0.00 36.38 34.55 2ca3 s VAL 116 CO 0.58 -0.29 1.10 -0.83 -0.31 0.00 0.00 175.10 175.35 2ca3 s GLY 117 N -2.66 1.74 0.00 2.32 0.00 -1.26 -4.93 107.32 102.53 2ca3 s GLY 117 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.24 2ca3 s GLY 117 CO 0.07 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.50 2ca3 n GLY 118 N -0.90 0.60 3.62 0.20 0.00 -1.26 -4.88 105.19 102.56 2ca3 n GLY 118 Ca 0.10 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 2ca3 n GLY 118 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ca3 s GLY 119 N 0.00 0.97 -1.08 -0.02 0.00 -1.26 -4.91 107.32 101.02 2ca3 s GLY 119 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 44.72 45.06 2ca3 s GLY 119 CO 0.00 3.28 1.41 1.20 0.00 0.00 0.00 173.10 179.00 2ca3 s GLN 120 N 5.29 3.75 -0.05 2.90 -1.52 -1.26 -4.59 119.66 124.17 2ca3 s GLN 120 Ca 0.81 -1.70 -0.04 0.00 -1.95 0.00 0.00 55.36 52.49 2ca3 s GLN 120 Cb -0.27 -5.22 -0.04 0.00 -0.22 0.00 0.00 33.01 27.25 2ca3 s GLN 120 CO 0.33 -2.03 0.13 -0.51 -0.25 0.00 0.00 175.29 172.96 2ca3 s LEU 121 N 3.67 4.21 0.00 2.90 1.43 -1.26 -4.74 118.68 124.88 2ca3 s LEU 121 Ca 0.43 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2ca3 s LEU 121 Cb -0.01 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2ca3 s LEU 121 CO -0.05 0.33 0.00 0.00 0.23 0.00 0.00 176.35 176.86 2ca3 n ALA 122 N 1.47 0.00 1.00 4.21 0.00 -1.26 -0.29 120.51 125.63 2ca3 n ALA 122 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.39 2ca3 n ALA 122 Cb 0.54 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.30 2ca3 n ALA 122 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ca3 n ASN 123 N 0.00 2.05 -0.86 0.00 3.02 -1.26 -0.07 115.26 118.15 2ca3 n ASN 123 Ca 0.00 -1.80 0.06 0.00 -0.03 0.00 0.00 54.58 52.81 2ca3 n ASN 123 Cb 0.00 -0.15 0.19 0.00 -0.61 0.00 0.00 39.78 39.21 2ca3 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ca3 n GLY 124 N 1.20 1.18 2.58 7.41 0.00 -1.26 -4.34 105.19 111.96 2ca3 n GLY 124 Ca 0.16 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2ca3 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ca3 n ALA 125 N 0.70 6.51 -3.13 4.61 0.00 -1.26 -1.74 120.51 126.20 2ca3 n ALA 125 Ca 0.14 -3.98 -0.12 0.00 0.00 0.00 0.00 53.44 49.49 2ca3 n ALA 125 Cb 0.42 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 2ca3 n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ca3 s MET 126 N -2.48 1.06 -0.07 0.00 0.23 -1.26 -1.62 119.30 115.16 2ca3 s MET 126 Ca 0.51 -0.54 -0.31 0.00 -1.03 0.00 0.00 55.69 54.33 2ca3 s MET 126 Cb 0.27 0.47 0.12 0.00 -1.53 0.00 0.00 34.83 34.16 2ca3 s MET 126 CO -0.18 -0.41 0.99 0.20 -2.03 0.00 0.00 175.02 173.59 2ca3 s GLY 127 N -2.52 -0.39 -0.09 3.16 0.00 -0.29 -4.68 107.32 102.51 2ca3 s GLY 127 Ca -0.00 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.05 2ca3 s GLY 127 CO -0.09 0.47 -0.20 0.21 0.00 0.00 0.00 173.10 173.49 2ca3 s ASN 128 N -2.24 2.68 0.06 1.64 2.47 -1.26 -0.45 114.94 117.84 2ca3 s ASN 128 Ca 0.05 -0.48 -0.05 0.00 0.42 0.00 0.00 52.86 52.80 2ca3 s ASN 128 Cb -0.01 -1.23 -0.02 0.00 -1.45 0.00 0.00 41.25 38.55 2ca3 s ASN 128 CO -0.07 0.12 0.09 0.00 -3.72 0.00 0.00 177.10 173.52 2ca3 s ALA 129 N 0.45 0.07 -0.51 1.71 0.00 -0.91 -0.91 121.76 121.66 2ca3 s ALA 129 Ca -0.17 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 2ca3 s ALA 129 Cb -0.17 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.35 2ca3 s ALA 129 CO 0.07 -0.42 0.77 0.50 0.00 0.00 0.00 175.76 176.68 2ca3 s ARG 130 N -3.59 3.25 -0.11 0.00 3.52 -1.26 -0.75 118.95 120.01 2ca3 s ARG 130 Ca 0.03 -0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 55.03 2ca3 s ARG 130 Cb 0.05 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 2ca3 s ARG 130 CO -0.09 -1.29 0.23 -1.58 -0.81 0.00 0.00 175.30 171.76 2ca3 s TRP 131 N 3.23 3.57 0.02 5.12 0.52 0.28 -0.18 118.94 131.51 2ca3 s TRP 131 Ca 0.23 0.61 0.06 0.00 0.02 0.00 0.00 56.10 57.03 2ca3 s TRP 131 Cb -0.15 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 2ca3 s TRP 131 CO 0.17 0.55 -0.18 0.50 0.02 0.00 0.00 176.95 178.00 2ca3 s ARG 132 N -0.53 1.31 0.00 4.98 3.52 -0.66 -1.41 118.95 126.15 2ca3 s ARG 132 Ca 0.16 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 2ca3 s ARG 132 Cb -0.13 -1.35 0.00 0.00 -1.56 0.00 0.00 34.95 31.90 2ca3 s ARG 132 CO 0.05 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.30 2ca3 n GLY 133 N 2.12 -0.60 3.43 8.12 0.00 -0.55 -1.59 105.19 116.12 2ca3 n GLY 133 Ca -0.17 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2ca3 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ca3 s VAL 134 N -3.33 3.66 0.25 1.61 1.01 -0.47 -0.33 120.40 122.80 2ca3 s VAL 134 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 2ca3 s VAL 134 Cb 0.00 -2.61 -0.13 0.00 0.00 0.00 0.00 36.38 33.64 2ca3 s VAL 134 CO 0.00 0.47 1.43 -2.65 0.00 0.00 0.00 175.10 174.36 2ca3 n PRO 135 N 3.88 2.12 -0.17 2.72 -0.02 -1.26 -0.44 135.00 141.83 2ca3 n PRO 135 Ca -0.18 0.76 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 2ca3 n PRO 135 Cb 0.52 -2.43 0.20 0.00 -0.02 0.00 0.00 33.50 31.77 2ca3 n PRO 135 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ca3 h LEU 136 N 4.29 0.83 -0.89 2.45 5.85 -1.27 -1.83 115.31 124.75 2ca3 h LEU 136 Ca -0.45 -0.10 0.24 0.00 0.84 0.00 0.00 57.88 58.41 2ca3 h LEU 136 Cb 1.27 -0.21 -0.14 0.00 0.37 0.00 0.00 40.66 41.95 2ca3 h LEU 136 CO 0.76 0.72 0.28 0.50 -0.34 0.00 0.00 178.44 180.37 2ca3 h LYS 137 N 0.91 0.23 -0.55 1.25 3.64 -1.77 -0.20 116.57 120.08 2ca3 h LYS 137 Ca 0.22 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2ca3 h LYS 137 Cb 0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2ca3 h LYS 137 CO -0.03 0.15 0.07 0.00 -2.27 0.00 0.00 179.45 177.38 2ca3 h ALA 138 N 1.78 0.73 -0.29 5.00 0.00 -1.69 -0.28 119.26 124.51 2ca3 h ALA 138 Ca 0.57 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2ca3 h ALA 138 Cb 1.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ca3 h ALA 138 CO -0.64 0.50 -0.41 0.28 0.00 0.00 0.00 179.25 178.99 2ca3 h VAL 139 N 0.81 1.29 -0.32 0.00 2.07 -1.09 -2.51 116.25 116.50 2ca3 h VAL 139 Ca 0.16 -1.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 2ca3 h VAL 139 Cb 0.44 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2ca3 h VAL 139 CO 0.01 0.51 -0.19 -0.07 0.02 0.00 0.00 177.57 177.86 2ca3 h LEU 140 N 0.55 0.59 -0.89 2.57 3.38 -1.12 -1.98 115.31 118.41 2ca3 h LEU 140 Ca 0.03 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2ca3 h LEU 140 Cb 1.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2ca3 h LEU 140 CO 0.09 0.79 0.15 -0.08 0.09 0.00 0.00 178.44 179.49 2ca3 h GLU 141 N 0.53 0.97 -0.61 1.13 4.81 -1.00 0.53 114.58 120.94 2ca3 h GLU 141 Ca 0.08 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2ca3 h GLU 141 Cb 0.63 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2ca3 h GLU 141 CO 0.04 0.86 0.24 -0.22 -0.73 0.00 0.00 179.01 179.21 2ca3 h LYS 142 N 0.93 0.92 -0.24 1.92 1.63 -1.09 -2.49 116.57 118.15 2ca3 h LYS 142 Ca 0.20 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.73 2ca3 h LYS 142 Cb 0.33 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2ca3 h LYS 142 CO 0.00 0.78 -0.26 0.00 -3.45 0.00 0.00 179.45 176.52 2ca3 h ALA 143 N 1.09 1.10 -1.80 5.00 0.00 -1.06 -3.45 119.26 120.14 2ca3 h ALA 143 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ca3 h ALA 143 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ca3 h ALA 143 CO -0.02 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2ca3 n GLY 144 N -0.36 -1.42 3.75 0.00 0.00 0.15 -0.97 105.19 106.35 2ca3 n GLY 144 Ca -0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2ca3 n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ca3 s VAL 145 N -0.13 2.89 0.03 1.61 1.01 -1.21 -1.25 120.40 123.36 2ca3 s VAL 145 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2ca3 s VAL 145 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2ca3 s VAL 145 CO 0.00 0.16 0.38 -1.10 0.00 0.00 0.00 175.10 174.54 2ca3 s GLN 146 N -1.02 3.79 0.28 2.72 -0.21 -0.75 -4.91 119.66 119.57 2ca3 s GLN 146 Ca 0.53 0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.85 2ca3 s GLN 146 Cb -0.39 -3.09 -0.14 0.00 1.00 0.00 0.00 33.01 30.39 2ca3 s GLN 146 CO 0.46 0.63 1.13 0.00 -2.12 0.00 0.00 175.29 175.39 2ca3 n ALA 147 N 1.32 0.18 0.00 6.09 0.00 -1.26 -1.33 120.51 125.51 2ca3 n ALA 147 Ca -0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2ca3 n ALA 147 Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2ca3 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ca3 n GLY 148 N 1.33 1.90 3.72 0.00 0.00 -1.26 -5.05 105.19 105.83 2ca3 n GLY 148 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ca3 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ca3 n ALA 149 N -1.53 2.08 -0.01 4.61 0.00 -0.44 -4.50 120.51 120.71 2ca3 n ALA 149 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 2ca3 n ALA 149 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 2ca3 n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ca3 n LYS 150 N 1.88 1.49 -3.98 0.00 5.02 0.52 -4.87 118.16 118.22 2ca3 n LYS 150 Ca 0.08 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 2ca3 n LYS 150 Cb 0.35 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 2ca3 n LYS 150 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ca3 s GLN 151 N -2.06 1.08 -0.06 1.97 -0.21 -0.86 -1.72 119.66 117.80 2ca3 s GLN 151 Ca -0.03 -1.19 0.04 0.00 0.02 0.00 0.00 55.36 54.20 2ca3 s GLN 151 Cb 0.01 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.37 2ca3 s GLN 151 CO 0.08 -0.38 -0.18 0.08 -2.12 0.00 0.00 175.29 172.77 2ca3 s VAL 152 N -3.97 1.55 0.15 1.09 1.01 0.17 -0.98 120.40 119.43 2ca3 s VAL 152 Ca 0.17 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2ca3 s VAL 152 Cb 0.04 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2ca3 s VAL 152 CO -0.01 0.44 0.18 0.42 0.00 0.00 0.00 175.10 176.13 2ca3 s THR 153 N 0.23 4.75 -0.05 3.92 -4.23 -0.02 -1.35 115.64 118.90 2ca3 s THR 153 Ca -0.09 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 2ca3 s THR 153 Cb -0.14 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.31 2ca3 s THR 153 CO 0.04 -0.08 0.01 -0.36 -0.54 0.00 0.00 174.62 173.69 2ca3 s PHE 154 N -1.72 0.40 0.06 3.99 0.08 0.80 -1.76 117.98 119.83 2ca3 s PHE 154 Ca 0.32 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.39 2ca3 s PHE 154 Cb -0.11 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 2ca3 s PHE 154 CO 0.25 -0.21 -0.10 0.20 -0.10 0.00 0.00 175.22 175.26 2ca3 s GLY 155 N 1.57 0.68 0.33 4.36 0.00 -0.52 -1.79 107.32 111.95 2ca3 s GLY 155 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.78 2ca3 s GLY 155 CO -0.03 -0.98 0.02 0.61 0.00 0.00 0.00 173.10 172.72 2ca3 n GLY 156 N 1.19 3.72 0.24 0.20 0.00 -1.26 -1.87 105.19 107.41 2ca3 n GLY 156 Ca -0.21 -2.26 0.15 0.00 0.00 0.00 0.00 46.02 43.70 2ca3 n GLY 156 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ca3 h LEU 157 N 0.00 0.00-10.35 0.99 3.38 -1.35 -3.46 115.31 104.53 2ca3 h LEU 157 Ca -0.27 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.20 2ca3 h LEU 157 Cb 0.85 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.71 2ca3 h LEU 157 CO 0.44 0.00 0.34 1.51 0.09 0.00 0.00 178.44 180.82 2ca3 s ASP 158 N -5.45 4.73 0.17 -0.43 -4.77 -1.26 -4.61 116.67 105.06 2ca3 s ASP 158 Ca 0.03 1.58 -0.22 0.00 -3.30 0.00 0.00 52.55 50.64 2ca3 s ASP 158 Cb 0.09 -2.36 0.06 0.00 -1.09 0.00 0.00 42.92 39.62 2ca3 s ASP 158 CO 0.54 -1.85 0.60 -0.83 0.70 0.00 0.00 175.17 174.33 2ca3 s GLY 159 N -3.67 -0.52 0.51 2.12 0.00 -0.60 -4.81 107.32 100.34 2ca3 s GLY 159 Ca 0.60 0.34 -0.20 0.00 0.00 0.00 0.00 44.72 45.46 2ca3 s GLY 159 CO 0.55 0.09 1.10 2.56 0.00 0.00 0.00 173.10 177.40 2ca3 s PRO 160 N -3.78 3.58 0.25 2.90 0.04 -1.26 -2.36 135.00 134.38 2ca3 s PRO 160 Ca 0.03 1.54 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2ca3 s PRO 160 Cb -0.02 -2.10 0.30 0.00 0.04 0.00 0.00 34.50 32.73 2ca3 s PRO 160 CO -0.10 -0.64 1.58 0.28 0.04 0.00 0.00 177.00 178.16 2ca3 h VAL 161 N 1.43 1.40 -3.28 -0.36 2.07 -1.95 -3.41 116.25 112.15 2ca3 h VAL 161 Ca -0.50 -2.00 -0.66 0.00 0.82 0.00 0.00 66.70 64.37 2ca3 h VAL 161 Cb 1.24 2.03 -0.36 0.00 -1.52 0.00 0.00 31.29 32.69 2ca3 h VAL 161 CO 0.58 0.58 -0.84 -0.63 0.02 0.00 0.00 177.57 177.29 2ca3 s ILE 162 N -3.73 1.99 0.60 4.57 1.01 -1.26 -5.03 121.20 119.35 2ca3 s ILE 162 Ca -0.03 -1.07 0.29 0.00 0.00 0.00 0.00 60.65 59.84 2ca3 s ILE 162 Cb 0.12 -1.90 0.36 0.00 0.01 0.00 0.00 42.46 41.06 2ca3 s ILE 162 CO 0.78 0.37 2.02 1.55 0.00 0.00 0.00 174.94 179.66 2ca3 h PRO 163 N 7.92 0.00 0.00 2.79 0.13 -2.01 -1.28 132.00 139.55 2ca3 h PRO 163 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2ca3 h PRO 163 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2ca3 h PRO 163 CO 0.57 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.16 2ca3 h GLU 164 N 0.00 0.00 -6.67 0.86 5.08 -1.96 -3.44 114.58 108.46 2ca3 h GLU 164 Ca 0.12 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.95 2ca3 h GLU 164 Cb 0.71 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.01 2ca3 h GLU 164 CO -0.00 0.11 0.79 0.99 -1.00 0.00 0.00 179.01 179.90 2ca3 s THR 165 N -3.75 2.78 0.09 1.13 2.01 -0.48 -4.93 115.64 112.48 2ca3 s THR 165 Ca 0.00 0.60 -0.31 0.00 0.31 0.00 0.00 61.69 62.30 2ca3 s THR 165 Cb 0.10 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 2ca3 s THR 165 CO 0.58 0.07 1.91 -2.84 -0.69 0.00 0.00 174.62 173.65 2ca3 s PRO 166 N 0.36 4.14 0.63 4.92 0.02 -1.26 -4.76 135.00 139.04 2ca3 s PRO 166 Ca 0.63 2.62 -0.18 0.00 0.02 0.00 0.00 61.00 64.10 2ca3 s PRO 166 Cb -0.41 -3.86 -0.02 0.00 0.02 0.00 0.00 34.50 30.23 2ca3 s PRO 166 CO 0.37 -0.90 1.24 0.34 -0.33 0.00 0.00 177.00 177.72 2ca3 s ASP 167 N 3.55 4.81 -0.73 2.53 -1.08 -1.26 -4.89 116.67 119.61 2ca3 s ASP 167 Ca 0.85 2.48 -0.27 0.00 -0.52 0.00 0.00 52.55 55.10 2ca3 s ASP 167 Cb -0.45 -2.61 0.02 0.00 -1.46 0.00 0.00 42.92 38.43 2ca3 s ASP 167 CO 0.39 -1.86 1.38 0.12 0.52 0.00 0.00 175.17 175.72 2ca3 s PHE 168 N -1.56 2.18 -0.03 -5.34 5.36 -1.26 -4.82 117.98 112.51 2ca3 s PHE 168 Ca 0.79 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 2ca3 s PHE 168 Cb -0.33 -4.54 0.02 0.00 -0.34 0.00 0.00 43.02 37.82 2ca3 s PHE 168 CO 0.37 -2.11 -0.05 0.08 -1.46 0.00 0.00 175.22 172.06 2ca3 s VAL 169 N 6.27 0.49 0.33 3.12 1.01 -1.26 -4.29 120.40 126.07 2ca3 s VAL 169 Ca 0.40 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2ca3 s VAL 169 Cb -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2ca3 s VAL 169 CO 0.15 0.20 -0.05 -0.54 0.00 0.00 0.00 175.10 174.86 2ca3 s LYS 170 N 0.64 1.72 0.00 2.72 -0.14 -0.74 -4.49 119.74 119.45 2ca3 s LYS 170 Ca -0.08 -1.90 -0.02 0.00 -1.36 0.00 0.00 55.97 52.61 2ca3 s LYS 170 Cb -0.12 -1.40 -0.01 0.00 -1.68 0.00 0.00 37.83 34.63 2ca3 s LYS 170 CO -0.00 0.04 0.02 0.00 -0.76 0.00 0.00 175.35 174.66 2ca3 s ALA 171 N -2.85 -0.04 0.21 5.17 0.00 -1.26 -0.14 121.76 122.86 2ca3 s ALA 171 Ca 0.32 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.17 2ca3 s ALA 171 Cb 0.05 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2ca3 s ALA 171 CO 0.15 -0.10 -0.19 -0.51 0.00 0.00 0.00 175.76 175.11 2ca3 s LEU 172 N -0.77 2.51 0.62 0.00 1.43 -0.45 -4.97 118.68 117.05 2ca3 s LEU 172 Ca -0.09 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 51.90 2ca3 s LEU 172 Cb -0.05 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 2ca3 s LEU 172 CO -0.00 -0.01 1.14 -0.94 0.23 0.00 0.00 176.35 176.77 2ca3 s SER 173 N -3.07 5.20 0.22 2.29 1.04 -1.26 -0.65 113.70 117.47 2ca3 s SER 173 Ca 0.23 2.15 -0.09 0.00 0.48 0.00 0.00 55.95 58.72 2ca3 s SER 173 Cb -0.05 -2.57 0.22 0.00 0.10 0.00 0.00 66.02 63.72 2ca3 s SER 173 CO 0.10 -1.57 1.88 -0.29 0.98 0.00 0.00 173.24 174.33 2ca3 h ILE 174 N 0.48 1.15 -0.31 -1.02 6.09 -1.62 -0.46 117.51 121.83 2ca3 h ILE 174 Ca -0.48 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 62.60 2ca3 h ILE 174 Cb 1.26 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.57 2ca3 h ILE 174 CO 0.55 0.19 -0.06 0.44 -3.07 0.00 0.00 178.15 176.20 2ca3 h ASP 175 N 1.03 0.47 0.05 2.19 3.32 -1.92 -1.67 116.42 119.88 2ca3 h ASP 175 Ca 0.31 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2ca3 h ASP 175 Cb -0.03 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2ca3 h ASP 175 CO -0.10 0.58 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.23 2ca3 h HIS 176 N 0.47 -0.07 -0.75 4.55 2.76 -1.85 -3.13 115.15 117.13 2ca3 h HIS 176 Ca 0.10 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.36 2ca3 h HIS 176 Cb 0.39 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 2ca3 h HIS 176 CO 0.01 0.34 0.49 0.00 -1.30 0.00 0.00 177.93 177.47 2ca3 h ALA 177 N 0.42 1.84 -0.54 5.26 0.00 -0.73 -2.09 119.26 123.42 2ca3 h ALA 177 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ca3 h ALA 177 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ca3 h ALA 177 CO 0.01 -0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 2ca3 n THR 178 N -4.50 2.02 0.98 0.00 -2.24 -0.66 -3.57 114.28 106.31 2ca3 n THR 178 Ca 0.13 -1.13 0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2ca3 n THR 178 Cb 0.35 -0.11 0.60 0.00 -2.10 0.00 0.00 70.33 69.07 2ca3 n THR 178 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ca3 n ASP 179 N 0.78 0.00 0.00 3.42 5.68 -0.79 -4.70 116.55 120.94 2ca3 n ASP 179 Ca 0.24 0.47 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 2ca3 n ASP 179 Cb 0.94 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2ca3 n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ca3 n GLY 180 N 1.37 2.81 0.11 6.12 0.00 -1.26 -4.84 105.19 109.50 2ca3 n GLY 180 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 2ca3 n GLY 180 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ca3 n GLU 181 N -2.00 0.68 -1.90 1.61 1.02 -1.26 -4.77 120.64 114.02 2ca3 n GLU 181 Ca 0.00 0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 2ca3 n GLU 181 Cb 0.00 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 2ca3 n GLU 181 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ca3 s VAL 182 N -2.55 2.94 0.06 2.62 1.01 -1.26 -4.58 120.40 118.63 2ca3 s VAL 182 Ca -0.15 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.34 2ca3 s VAL 182 Cb 0.07 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2ca3 s VAL 182 CO 0.78 0.00 -0.22 -0.32 0.00 0.00 0.00 175.10 175.34 2ca3 s MET 183 N 2.55 1.42 -0.79 2.72 0.00 -0.19 -0.92 119.30 124.09 2ca3 s MET 183 Ca 0.75 -1.04 -0.17 0.00 0.00 0.00 0.00 55.69 55.23 2ca3 s MET 183 Cb -0.41 -1.60 0.16 0.00 0.00 0.00 0.00 34.83 32.98 2ca3 s MET 183 CO 0.33 0.40 0.86 -0.51 0.00 0.00 0.00 175.02 176.10 2ca3 s LEU 184 N -1.37 5.82 -0.10 4.11 1.43 0.42 -0.78 118.68 128.22 2ca3 s LEU 184 Ca 0.09 -2.12 -0.24 0.00 -1.03 0.00 0.00 54.13 50.82 2ca3 s LEU 184 Cb -0.09 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2ca3 s LEU 184 CO 0.03 -0.89 0.76 0.00 0.23 0.00 0.00 176.35 176.48 2ca3 s ALA 185 N 1.70 3.39 -1.17 4.21 0.00 0.04 -1.36 121.76 128.57 2ca3 s ALA 185 Ca 0.20 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.37 2ca3 s ALA 185 Cb -0.13 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 20.00 2ca3 s ALA 185 CO -0.05 -0.32 0.84 2.48 0.00 0.00 0.00 175.76 178.71 2ca3 n TYR 186 N 4.35 0.03 -3.92 0.00 0.18 -0.62 -2.06 117.16 115.12 2ca3 n TYR 186 Ca 0.01 -0.04 -0.12 0.00 1.88 0.00 0.00 57.90 59.63 2ca3 n TYR 186 Cb 0.50 -0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.32 2ca3 n TYR 186 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2ca3 s SER 187 N -0.82 0.12 -0.06 9.48 0.15 -0.80 -3.64 113.70 118.13 2ca3 s SER 187 Ca 0.12 -0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2ca3 s SER 187 Cb 0.08 0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2ca3 s SER 187 CO 0.12 -0.03 -0.00 -0.32 1.20 0.00 0.00 173.24 174.22 2ca3 s MET 188 N -0.20 0.53 -1.67 5.44 1.75 0.28 -1.66 119.30 123.77 2ca3 s MET 188 Ca -0.02 0.09 -0.16 0.00 -1.25 0.00 0.00 55.69 54.35 2ca3 s MET 188 Cb -0.01 -0.83 0.14 0.00 2.84 0.00 0.00 34.83 36.97 2ca3 s MET 188 CO -0.00 -0.24 0.76 0.09 -0.65 0.00 0.00 175.02 174.98 2ca3 n ASN 189 N 4.82 -3.10 -0.18 1.11 3.02 0.75 -1.83 115.26 119.85 2ca3 n ASN 189 Ca -0.13 -1.00 -0.02 0.00 -0.03 0.00 0.00 54.58 53.40 2ca3 n ASN 189 Cb 0.50 -2.84 -0.01 0.00 -0.61 0.00 0.00 39.78 36.82 2ca3 n ASN 189 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ca3 n GLY 190 N -1.48 0.54 3.15 7.41 0.00 -1.26 -5.03 105.19 108.53 2ca3 n GLY 190 Ca 0.04 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 2ca3 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ca3 s ALA 191 N -2.09 0.24 0.57 4.61 0.00 -0.76 -5.12 121.76 119.21 2ca3 s ALA 191 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2ca3 s ALA 191 Cb 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 2ca3 s ALA 191 CO 0.00 -0.45 1.23 -0.25 0.00 0.00 0.00 175.76 176.29 2ca3 n ASP 192 N 0.01 2.03 -4.66 0.00 9.92 -1.26 -0.56 116.55 122.03 2ca3 n ASP 192 Ca -0.13 0.91 -0.46 0.00 -0.53 0.00 0.00 54.79 54.58 2ca3 n ASP 192 Cb 0.62 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 39.55 2ca3 n ASP 192 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ca3 n LEU 193 N -1.01 2.91 -4.64 0.64 4.77 -1.24 -4.62 117.00 113.82 2ca3 n LEU 193 Ca 0.12 1.12 -0.38 0.00 -0.03 0.00 0.00 56.01 56.84 2ca3 n LEU 193 Cb 0.45 -1.40 0.05 0.00 -2.33 0.00 0.00 43.42 40.20 2ca3 n LEU 193 CO 0.51 -0.50 0.62 -2.65 -1.33 0.00 0.00 177.39 174.04 2ca3 n PRO 194 N 2.52 1.02 -0.11 3.23 -0.02 -1.26 -4.30 135.00 136.09 2ca3 n PRO 194 Ca 0.14 0.39 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 2ca3 n PRO 194 Cb 0.29 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2ca3 n PRO 194 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2ca3 h TRP 195 N 0.65 -0.41 0.00 6.00 2.91 -1.92 -1.01 115.95 122.17 2ca3 h TRP 195 Ca -0.49 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2ca3 h TRP 195 Cb 1.35 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 30.24 2ca3 h TRP 195 CO 0.39 -0.25 0.00 1.28 -1.03 0.00 0.00 178.44 178.83 2ca3 n LEU 196 N -5.35 0.00 -1.72 0.65 4.77 -1.26 -1.54 117.00 112.55 2ca3 n LEU 196 Ca 0.02 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 2ca3 n LEU 196 Cb 0.26 -0.28 0.38 0.00 -2.33 0.00 0.00 43.42 41.45 2ca3 n LEU 196 CO 0.13 -0.02 0.85 0.59 -1.33 0.00 0.00 177.39 177.61 2ca3 n ASN 197 N -1.28 5.36 0.00 -1.43 4.13 -0.40 -4.74 115.26 116.89 2ca3 n ASN 197 Ca 0.13 -2.85 0.00 0.00 1.68 0.00 0.00 54.58 53.54 2ca3 n ASN 197 Cb 0.22 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 2ca3 n ASN 197 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ca3 n GLY 198 N 0.58 1.19 3.47 7.41 0.00 -0.59 -4.78 105.19 112.47 2ca3 n GLY 198 Ca 0.27 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.75 2ca3 n GLY 198 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ca3 n TYR 199 N -1.61 0.30 1.21 1.61 9.36 -1.16 -1.81 117.16 125.06 2ca3 n TYR 199 Ca 0.00 0.97 0.13 0.00 3.32 0.00 0.00 57.90 62.32 2ca3 n TYR 199 Cb 0.00 -2.07 0.31 0.00 -0.63 0.00 0.00 39.34 36.96 2ca3 n TYR 199 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2ca3 n PRO 200 N 1.34 2.01 -3.63 2.98 -0.04 -1.26 -4.47 135.00 131.93 2ca3 n PRO 200 Ca 0.19 -1.47 -0.14 0.00 -0.04 0.00 0.00 63.50 62.04 2ca3 n PRO 200 Cb 0.17 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 2ca3 n PRO 200 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ca3 s LEU 201 N -1.96 -0.73 0.04 1.53 2.96 -0.75 -4.55 118.68 115.23 2ca3 s LEU 201 Ca 0.33 1.39 -0.07 0.00 -0.22 0.00 0.00 54.13 55.56 2ca3 s LEU 201 Cb 0.20 2.43 -0.01 0.00 0.50 0.00 0.00 46.19 49.32 2ca3 s LEU 201 CO 0.31 -0.25 0.13 0.00 -1.32 0.00 0.00 176.35 175.23 2ca3 s ARG 202 N 0.33 0.65 0.21 1.98 1.70 -0.87 -0.70 118.95 122.25 2ca3 s ARG 202 Ca -0.00 -0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 54.21 2ca3 s ARG 202 Cb -0.05 0.26 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 2ca3 s ARG 202 CO 0.01 -0.18 1.03 -1.17 -1.08 0.00 0.00 175.30 173.91 2ca3 s LEU 203 N -2.23 4.55 -0.13 -1.89 2.96 0.89 -0.78 118.68 122.05 2ca3 s LEU 203 Ca -0.03 2.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 2ca3 s LEU 203 Cb -0.00 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.08 2ca3 s LEU 203 CO -0.05 -0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.03 2ca3 s VAL 204 N -0.71 2.46 -0.57 1.68 1.01 0.04 -3.99 120.40 120.33 2ca3 s VAL 204 Ca 0.45 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2ca3 s VAL 204 Cb -0.28 -2.00 0.16 0.00 0.00 0.00 0.00 36.38 34.26 2ca3 s VAL 204 CO 0.35 0.54 0.39 -0.69 0.00 0.00 0.00 175.10 175.69 2ca3 s VAL 205 N 0.54 1.94 0.23 2.92 1.01 -1.26 -1.02 120.40 124.75 2ca3 s VAL 205 Ca -0.12 -3.48 -0.32 0.00 0.00 0.00 0.00 61.98 58.07 2ca3 s VAL 205 Cb -0.16 -2.30 -0.14 0.00 0.00 0.00 0.00 36.38 33.78 2ca3 s VAL 205 CO 0.04 -1.03 1.42 -2.65 0.00 0.00 0.00 175.10 172.88 2ca3 n PRO 206 N 2.56 2.02 -0.98 2.72 -0.02 -1.26 -1.73 135.00 138.30 2ca3 n PRO 206 Ca 0.19 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2ca3 n PRO 206 Cb 0.38 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2ca3 n PRO 206 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ca3 n GLY 207 N 2.31 0.99 3.62 -1.23 0.00 -1.26 -5.00 105.19 104.62 2ca3 n GLY 207 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2ca3 n GLY 207 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ca3 s TYR 208 N -3.93 2.86 0.87 1.61 1.51 -0.71 -0.96 117.35 118.61 2ca3 s TYR 208 Ca 0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 2ca3 s TYR 208 Cb 0.00 -1.53 0.11 0.00 -0.11 0.00 0.00 41.96 40.44 2ca3 s TYR 208 CO 0.00 0.42 1.15 0.66 -1.11 0.00 0.00 175.55 176.67 2ca3 n TYR 209 N 0.97 0.97 0.33 2.71 4.01 -0.85 -4.71 117.16 120.59 2ca3 n TYR 209 Ca -0.13 0.40 0.15 0.00 -0.16 0.00 0.00 57.90 58.15 2ca3 n TYR 209 Cb 0.52 -2.04 0.51 0.00 -0.31 0.00 0.00 39.34 38.02 2ca3 n TYR 209 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2ca3 h GLY 210 N -1.42 0.00 0.42 2.72 0.00 -1.25 -3.03 103.07 100.51 2ca3 h GLY 210 Ca -0.45 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.10 2ca3 h GLY 210 CO 0.43 0.00 0.56 0.00 0.00 0.00 0.00 176.54 177.54 2ca3 h THR 211 N 0.00 0.64 0.00 4.70 1.03 -1.89 0.14 112.91 117.53 2ca3 h THR 211 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 2ca3 h THR 211 Cb 0.60 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 2ca3 h THR 211 CO 0.00 0.03 0.00 -1.22 -0.01 0.00 0.00 175.52 174.32 2ca3 n TYR 212 N -4.38 0.83 -1.79 0.00 4.01 -1.15 -4.43 117.16 110.26 2ca3 n TYR 212 Ca 0.17 0.26 -0.40 0.00 -0.16 0.00 0.00 57.90 57.76 2ca3 n TYR 212 Cb 0.78 -0.92 -0.01 0.00 -0.31 0.00 0.00 39.34 38.87 2ca3 n TYR 212 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2ca3 n TRP 213 N -2.20 2.73 -1.70 -0.72 7.02 0.48 -4.86 117.44 118.20 2ca3 n TRP 213 Ca 0.05 -2.93 -0.44 0.00 -1.02 0.00 0.00 57.50 53.16 2ca3 n TRP 213 Cb 0.37 -2.18 -0.03 0.00 -2.42 0.00 0.00 31.31 27.06 2ca3 n TRP 213 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2ca3 n VAL 214 N 3.10 0.38 -3.97 -0.99 0.31 -1.26 -4.48 118.33 111.42 2ca3 n VAL 214 Ca 0.63 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 64.63 2ca3 n VAL 214 Cb 0.28 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 2ca3 n VAL 214 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ca3 s LYS 215 N 0.48 3.40 -1.45 5.55 1.02 -1.26 -0.08 119.74 127.39 2ca3 s LYS 215 Ca 0.73 -0.73 -0.10 0.00 0.02 0.00 0.00 55.97 55.88 2ca3 s LYS 215 Cb -0.57 -2.89 0.05 0.00 -0.52 0.00 0.00 37.83 33.90 2ca3 s LYS 215 CO 0.40 0.46 0.99 0.72 -0.92 0.00 0.00 175.35 177.00 2ca3 n HIS 216 N -1.11 -2.37 -2.44 3.18 8.25 -0.32 -4.32 115.22 116.10 2ca3 n HIS 216 Ca -0.08 0.92 -0.43 0.00 -0.26 0.00 0.00 57.72 57.87 2ca3 n HIS 216 Cb 0.56 -4.31 -0.02 0.00 1.12 0.00 0.00 29.99 27.34 2ca3 n HIS 216 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2ca3 s LEU 217 N -7.17 4.21 0.00 2.41 2.96 0.12 -1.21 118.68 120.00 2ca3 s LEU 217 Ca 0.53 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 2ca3 s LEU 217 Cb -0.26 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2ca3 s LEU 217 CO 0.80 -0.70 0.04 -0.46 -1.32 0.00 0.00 176.35 174.72 2ca3 n ASN 218 N 6.13 0.09 -3.64 3.68 6.94 -0.78 -4.81 115.26 122.86 2ca3 n ASN 218 Ca 0.13 -0.38 -0.23 0.00 -0.02 0.00 0.00 54.58 54.08 2ca3 n ASN 218 Cb 0.45 0.27 -0.17 0.00 -2.36 0.00 0.00 39.78 37.97 2ca3 n ASN 218 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ca3 s GLU 219 N -0.27 0.01 -0.18 -3.83 2.12 -0.95 -0.85 118.70 114.74 2ca3 s GLU 219 Ca 0.00 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.47 2ca3 s GLU 219 Cb 0.00 -1.22 0.02 0.00 0.26 0.00 0.00 34.13 33.19 2ca3 s GLU 219 CO 0.00 -0.51 -0.19 0.42 -0.54 0.00 0.00 175.26 174.44 2ca3 s ILE 220 N 2.15 2.01 -0.19 -3.70 1.01 0.11 -1.44 121.20 121.14 2ca3 s ILE 220 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2ca3 s ILE 220 Cb -0.14 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.52 2ca3 s ILE 220 CO -0.06 0.50 -0.17 -0.89 0.00 0.00 0.00 174.94 174.31 2ca3 s THR 221 N 1.30 1.97 -0.06 2.92 2.01 -0.72 -0.73 115.64 122.33 2ca3 s THR 221 Ca 0.04 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 2ca3 s THR 221 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 2ca3 s THR 221 CO -0.12 0.42 0.96 -0.69 -0.69 0.00 0.00 174.62 174.50 2ca3 s VAL 222 N 1.30 4.85 0.10 3.82 1.01 -0.08 -0.84 120.40 130.56 2ca3 s VAL 222 Ca 0.03 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.05 2ca3 s VAL 222 Cb -0.14 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2ca3 s VAL 222 CO -0.11 0.10 -0.15 0.27 0.00 0.00 0.00 175.10 175.20 2ca3 s ILE 223 N 1.45 1.33 -0.25 2.22 -4.36 -0.15 -0.54 121.20 120.90 2ca3 s ILE 223 Ca 0.49 -1.53 0.13 0.00 -0.26 0.00 0.00 60.65 59.48 2ca3 s ILE 223 Cb -0.19 -1.36 0.72 0.00 1.25 0.00 0.00 42.46 42.88 2ca3 s ILE 223 CO 0.22 -0.27 1.68 -0.90 0.24 0.00 0.00 174.94 175.92 2ca3 n ASP 224 N 0.93 4.90 -3.78 4.36 5.75 -1.26 -0.36 116.55 127.08 2ca3 n ASP 224 Ca -0.18 -3.09 -0.13 0.00 -0.01 0.00 0.00 54.79 51.38 2ca3 n ASP 224 Cb 0.55 -0.67 -0.07 0.00 -1.03 0.00 0.00 41.12 39.90 2ca3 n ASP 224 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2ca3 s LYS 225 N -2.88 1.55 0.02 0.11 -2.85 -1.26 -4.63 119.74 109.80 2ca3 s LYS 225 Ca 0.52 -1.62 -0.30 0.00 -1.00 0.00 0.00 55.97 53.56 2ca3 s LYS 225 Cb 0.41 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.51 2ca3 s LYS 225 CO 0.13 -0.60 1.04 -2.00 0.10 0.00 0.00 175.35 174.02 2ca3 s GLU 226 N -3.74 4.53 0.21 1.78 2.12 -1.26 -4.22 118.70 118.13 2ca3 s GLU 226 Ca 0.33 1.51 -0.30 0.00 0.36 0.00 0.00 54.97 56.87 2ca3 s GLU 226 Cb 0.02 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 2ca3 s GLU 226 CO 0.16 -0.09 1.29 0.12 -0.54 0.00 0.00 175.26 176.20 2ca3 s PHE 227 N 0.98 3.27 -0.14 5.30 5.36 -1.26 -4.93 117.98 126.55 2ca3 s PHE 227 Ca 0.54 1.26 0.18 0.00 -0.96 0.00 0.00 56.93 57.94 2ca3 s PHE 227 Cb -0.23 -3.59 0.31 0.00 -0.34 0.00 0.00 43.02 39.17 2ca3 s PHE 227 CO 0.28 -1.79 1.18 -0.40 -1.46 0.00 0.00 175.22 173.04 2ca3 n ASP 228 N 2.49 2.57 -4.68 6.13 5.68 -1.26 -4.70 116.55 122.77 2ca3 n ASP 228 Ca 0.05 -3.03 -0.36 0.00 -0.50 0.00 0.00 54.79 50.96 2ca3 n ASP 228 Cb 0.43 -0.43 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 2ca3 n ASP 228 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ca3 n GLY 229 N -1.25 0.09 0.36 6.12 0.00 -1.26 -4.65 105.19 104.60 2ca3 n GLY 229 Ca 0.16 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2ca3 n GLY 229 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ca3 h PHE 230 N -0.01 1.02 -0.00 1.61 3.57 -1.90 -0.92 116.94 120.31 2ca3 h PHE 230 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2ca3 h PHE 230 Cb 1.33 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2ca3 h PHE 230 CO 0.41 0.22 -0.01 0.91 -2.23 0.00 0.00 178.31 177.62 2ca3 n TRP 231 N -4.74 0.00 -0.07 0.41 7.02 -1.26 -1.50 117.44 117.29 2ca3 n TRP 231 Ca 0.23 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.60 2ca3 n TRP 231 Cb 0.59 -0.07 -0.06 0.00 -2.42 0.00 0.00 31.31 29.36 2ca3 n TRP 231 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2ca3 n MET 232 N -0.91 0.33 0.10 -0.99 2.81 -0.78 -4.53 117.12 113.14 2ca3 n MET 232 Ca 0.21 0.09 -0.20 0.00 -1.81 0.00 0.00 57.70 55.99 2ca3 n MET 232 Cb 0.18 -1.20 -0.12 0.00 -0.71 0.00 0.00 33.22 31.36 2ca3 n MET 232 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ca3 h LYS 233 N -0.14 0.52 0.00 0.03 3.64 -1.18 -3.43 116.57 116.02 2ca3 h LYS 233 Ca -0.32 -0.73 -0.11 0.00 -1.27 0.00 0.00 60.65 58.22 2ca3 h LYS 233 Cb 1.43 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 33.48 2ca3 h LYS 233 CO -0.09 1.32 -1.38 2.41 -2.27 0.00 0.00 179.45 179.44 2ca3 n THR 234 N -3.73 0.38 -2.15 1.00 -1.04 -0.56 -4.98 114.28 103.20 2ca3 n THR 234 Ca -0.12 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.05 61.50 2ca3 n THR 234 Cb 0.99 -1.45 0.04 0.00 -1.82 0.00 0.00 70.33 68.09 2ca3 n THR 234 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ca3 s ALA 235 N -2.13 3.10 -1.33 2.41 0.00 -0.64 -4.46 121.76 118.72 2ca3 s ALA 235 Ca -0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2ca3 s ALA 235 Cb 0.03 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.35 2ca3 s ALA 235 CO 0.13 -0.95 0.64 0.66 0.00 0.00 0.00 175.76 176.24 2ca3 n TYR 236 N -2.78 -1.90 -3.89 0.00 4.01 -1.26 -4.37 117.16 106.96 2ca3 n TYR 236 Ca 0.06 0.55 -0.37 0.00 -0.16 0.00 0.00 57.90 57.98 2ca3 n TYR 236 Cb 0.57 -4.19 -0.06 0.00 -0.31 0.00 0.00 39.34 35.35 2ca3 n TYR 236 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2ca3 s ARG 237 N -5.68 3.50 0.15 -0.72 1.81 -1.26 -0.33 118.95 116.41 2ca3 s ARG 237 Ca 0.32 -0.15 0.10 0.00 -1.72 0.00 0.00 55.73 54.27 2ca3 s ARG 237 Cb -0.14 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.12 2ca3 s ARG 237 CO 0.40 0.72 -0.22 0.96 -0.68 0.00 0.00 175.30 176.48 2ca3 s ILE 238 N -0.87 2.04 0.25 1.52 -4.36 0.04 -4.84 121.20 114.97 2ca3 s ILE 238 Ca 0.14 -1.83 -0.31 0.00 -0.26 0.00 0.00 60.65 58.40 2ca3 s ILE 238 Cb -0.12 -1.89 -0.13 0.00 1.25 0.00 0.00 42.46 41.57 2ca3 s ILE 238 CO 0.03 -0.11 1.34 -2.65 0.24 0.00 0.00 174.94 173.79 2ca3 n PRO 239 N 0.60 1.91 -2.22 0.37 -0.02 -1.26 -1.31 135.00 133.07 2ca3 n PRO 239 Ca -0.15 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2ca3 n PRO 239 Cb 0.55 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2ca3 n PRO 239 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ca3 n ASP 240 N 1.88 6.04 -3.69 2.55 2.03 -0.63 -4.31 116.55 120.42 2ca3 n ASP 240 Ca 0.11 -3.11 -0.11 0.00 0.52 0.00 0.00 54.79 52.20 2ca3 n ASP 240 Cb 0.31 -1.44 -0.04 0.00 -0.72 0.00 0.00 41.12 39.23 2ca3 n ASP 240 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ca3 s ASN 241 N 0.70 0.18 0.23 1.67 2.20 -1.26 -4.96 114.94 113.69 2ca3 s ASN 241 Ca 0.44 -1.10 -0.08 0.00 -0.94 0.00 0.00 52.86 51.19 2ca3 s ASN 241 Cb 0.12 0.63 0.20 0.00 -2.00 0.00 0.00 41.25 40.21 2ca3 s ASN 241 CO -0.02 -1.24 1.86 0.00 -2.94 0.00 0.00 177.10 174.76 2ca3 h ALA 242 N 2.19 1.12 -0.00 3.54 0.00 -1.96 -2.58 119.26 121.57 2ca3 h ALA 242 Ca -0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ca3 h ALA 242 Cb 1.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ca3 h ALA 242 CO 0.37 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 180.14 2ca3 n ALA 244 N -1.24 -2.02 -2.75 0.00 0.00 -0.97 -4.93 120.51 108.59 2ca3 n ALA 244 Ca 0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2ca3 n ALA 244 Cb 0.28 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 2ca3 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ca3 s THR 246 N -3.78 0.41 0.24 0.00 -4.23 -0.17 -4.88 115.64 103.23 2ca3 s THR 246 Ca 0.04 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 2ca3 s THR 246 Cb 0.03 -2.41 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 2ca3 s THR 246 CO -0.11 -0.18 1.52 -0.70 -0.54 0.00 0.00 174.62 174.61 2ca3 s GLU 247 N -4.03 4.22 0.01 3.99 2.12 -1.26 -4.22 118.70 119.51 2ca3 s GLU 247 Ca 0.33 2.39 -0.37 0.00 0.36 0.00 0.00 54.97 57.68 2ca3 s GLU 247 Cb 0.07 -3.10 -0.16 0.00 0.26 0.00 0.00 34.13 31.20 2ca3 s GLU 247 CO 0.09 -0.52 1.46 -2.30 -0.54 0.00 0.00 175.26 173.45 2ca3 n PRO 248 N 2.72 1.25 -0.03 4.30 -0.02 -1.26 -0.41 135.00 141.56 2ca3 n PRO 248 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2ca3 n PRO 248 Cb 0.39 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2ca3 n PRO 248 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ca3 n GLY 249 N 3.01 1.09 3.66 -1.23 0.00 -1.26 -5.05 105.19 105.41 2ca3 n GLY 249 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2ca3 n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ca3 s LYS 250 N -0.63 3.37 0.36 1.61 1.02 0.45 -5.09 119.74 120.83 2ca3 s LYS 250 Ca 0.00 -0.39 -0.25 0.00 0.02 0.00 0.00 55.97 55.35 2ca3 s LYS 250 Cb 0.00 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 2ca3 s LYS 250 CO 0.00 0.53 1.03 0.00 -0.92 0.00 0.00 175.35 175.99 2ca3 s ALA 251 N -0.39 3.17 0.64 5.17 0.00 -1.26 -4.60 121.76 124.48 2ca3 s ALA 251 Ca 0.08 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 2ca3 s ALA 251 Cb -0.12 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2ca3 s ALA 251 CO 0.02 -0.09 1.12 -1.25 0.00 0.00 0.00 175.76 175.56 2ca3 s PRO 252 N -2.22 2.88 0.07 0.00 0.04 -1.26 -4.97 135.00 129.54 2ca3 s PRO 252 Ca 0.54 1.46 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2ca3 s PRO 252 Cb -0.22 -1.96 -0.22 0.00 0.04 0.00 0.00 34.50 32.14 2ca3 s PRO 252 CO 0.28 -1.20 1.08 1.79 0.04 0.00 0.00 177.00 179.00 2ca3 h THR 253 N 0.27 1.44 -3.92 1.26 1.35 -1.99 -3.46 112.91 107.87 2ca3 h THR 253 Ca -0.48 -3.18 -0.20 0.00 -0.55 0.00 0.00 66.41 62.00 2ca3 h THR 253 Cb 1.25 2.73 -0.23 0.00 -1.73 0.00 0.00 68.15 70.17 2ca3 h THR 253 CO 0.54 0.83 -0.71 0.00 -0.25 0.00 0.00 175.52 175.94 2ca3 s ALA 254 N -2.67 0.15 0.19 6.62 0.00 -1.26 -5.11 121.76 119.68 2ca3 s ALA 254 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2ca3 s ALA 254 Cb 0.09 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2ca3 s ALA 254 CO 0.82 -0.10 -0.06 0.95 0.00 0.00 0.00 175.76 177.38 2ca3 s THR 255 N -1.08 1.13 0.13 0.00 -4.23 -1.26 -1.60 115.64 108.73 2ca3 s THR 255 Ca -0.11 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.36 2ca3 s THR 255 Cb -0.08 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2ca3 s THR 255 CO -0.01 -0.55 -0.03 0.27 -0.54 0.00 0.00 174.62 173.76 2ca3 s ILE 256 N -3.36 0.67 0.40 2.99 -4.36 -0.43 -4.80 121.20 112.31 2ca3 s ILE 256 Ca 0.22 -1.96 -0.26 0.00 -0.26 0.00 0.00 60.65 58.40 2ca3 s ILE 256 Cb 0.04 -1.88 -0.10 0.00 1.25 0.00 0.00 42.46 41.76 2ca3 s ILE 256 CO 0.05 -0.69 1.29 -2.65 0.24 0.00 0.00 174.94 173.18 2ca3 n PRO 257 N -0.13 2.02 -1.29 0.37 -0.02 -1.26 -0.78 135.00 133.91 2ca3 n PRO 257 Ca -0.09 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.75 2ca3 n PRO 257 Cb 0.62 -2.39 0.09 0.00 -0.02 0.00 0.00 33.50 31.79 2ca3 n PRO 257 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2ca3 n ILE 258 N -0.05 2.35 0.00 4.25 3.06 0.55 -4.73 119.36 124.79 2ca3 n ILE 258 Ca 0.06 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 2ca3 n ILE 258 Cb 0.39 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.58 2ca3 n ILE 258 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2ca3 n ASN 259 N -1.41 0.00 -4.80 9.51 6.94 -1.26 -4.96 115.26 119.28 2ca3 n ASN 259 Ca 0.12 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.34 2ca3 n ASN 259 Cb 0.50 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.89 2ca3 n ASN 259 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ca3 s ARG 260 N 2.41 3.68 0.47 -3.83 0.52 -1.26 -2.02 118.95 118.93 2ca3 s ARG 260 Ca 0.00 1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 56.31 2ca3 s ARG 260 Cb 0.00 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 2ca3 s ARG 260 CO 0.00 -0.53 1.04 1.19 0.02 0.00 0.00 175.30 177.02 2ca3 n PHE 261 N -1.23 1.24 -2.52 -0.53 3.72 -0.13 -4.82 117.46 113.19 2ca3 n PHE 261 Ca 0.09 0.51 -0.24 0.00 -0.05 0.00 0.00 57.45 57.77 2ca3 n PHE 261 Cb 0.53 -2.23 0.10 0.00 -0.94 0.00 0.00 39.48 36.93 2ca3 n PHE 261 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2ca3 s ASP 262 N -0.84 4.48 0.10 4.37 1.47 -1.26 -3.58 116.67 121.41 2ca3 s ASP 262 Ca 0.66 -0.18 -0.30 0.00 1.18 0.00 0.00 52.55 53.91 2ca3 s ASP 262 Cb -0.51 -0.29 -0.06 0.00 -0.34 0.00 0.00 42.92 41.72 2ca3 s ASP 262 CO 0.54 -1.76 1.02 -0.69 0.68 0.00 0.00 175.17 174.96 2ca3 s VAL 263 N -3.13 4.38 0.08 2.11 1.01 -1.26 -4.47 120.40 119.12 2ca3 s VAL 263 Ca 0.65 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.57 2ca3 s VAL 263 Cb -0.07 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2ca3 s VAL 263 CO 0.44 0.26 -0.10 -0.13 0.00 0.00 0.00 175.10 175.57 2ca3 s ARG 264 N 0.18 0.75 0.00 2.72 0.52 -0.47 -4.69 118.95 117.96 2ca3 s ARG 264 Ca 0.49 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 2ca3 s ARG 264 Cb -0.25 -0.49 0.03 0.00 0.52 0.00 0.00 34.95 34.76 2ca3 s ARG 264 CO 0.31 0.08 0.34 -1.54 0.02 0.00 0.00 175.30 174.51 2ca3 s SER 265 N -2.12 -0.21 0.00 0.23 1.04 -1.26 -1.88 113.70 109.49 2ca3 s SER 265 Ca 0.00 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 2ca3 s SER 265 Cb -0.05 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2ca3 s SER 265 CO 0.00 -0.52 0.02 -0.36 0.98 0.00 0.00 173.24 173.36 2ca3 s PHE 266 N -1.75 0.10 -0.19 5.02 0.08 -0.68 -4.61 117.98 115.94 2ca3 s PHE 266 Ca -0.10 -0.19 -0.22 0.00 0.12 0.00 0.00 56.93 56.54 2ca3 s PHE 266 Cb -0.03 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 2ca3 s PHE 266 CO 0.02 -0.12 0.66 0.42 -0.10 0.00 0.00 175.22 176.10 2ca3 s ILE 267 N -0.76 5.00 -0.09 0.64 1.01 -1.26 -1.75 121.20 123.98 2ca3 s ILE 267 Ca -0.08 1.26 0.21 0.00 0.00 0.00 0.00 60.65 62.03 2ca3 s ILE 267 Cb -0.05 -3.98 -0.29 0.00 0.01 0.00 0.00 42.46 38.15 2ca3 s ILE 267 CO -0.00 0.10 0.39 0.35 0.00 0.00 0.00 174.94 175.78 2ca3 n THR 268 N 4.68 0.49 1.37 2.92 -2.24 -0.15 -4.49 114.28 116.86 2ca3 n THR 268 Ca -0.00 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2ca3 n THR 268 Cb 0.50 -0.18 0.42 0.00 -2.10 0.00 0.00 70.33 68.96 2ca3 n THR 268 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ca3 n ASN 269 N -2.45 1.71 -4.09 3.42 6.94 -1.23 -4.56 115.26 115.01 2ca3 n ASN 269 Ca -0.13 -1.51 -0.13 0.00 -0.02 0.00 0.00 54.58 52.79 2ca3 n ASN 269 Cb 0.76 0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 38.10 2ca3 n ASN 269 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2ca3 s VAL 270 N -2.08 0.63 0.32 3.53 -7.23 -1.26 -5.05 120.40 109.26 2ca3 s VAL 270 Ca 0.34 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2ca3 s VAL 270 Cb 0.21 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 2ca3 s VAL 270 CO 0.36 -0.41 0.10 -1.61 -0.31 0.00 0.00 175.10 173.23 2ca3 s GLU 271 N -1.80 1.62 0.16 4.82 2.02 -1.26 -4.93 118.70 119.33 2ca3 s GLU 271 Ca -0.07 -1.92 -0.34 0.00 0.02 0.00 0.00 54.97 52.67 2ca3 s GLU 271 Cb -0.09 -0.52 -0.16 0.00 0.10 0.00 0.00 34.13 33.47 2ca3 s GLU 271 CO 0.00 -0.32 1.20 -1.71 0.02 0.00 0.00 175.26 174.46 2ca3 n ASN 272 N -0.78 1.42 0.00 -0.19 2.85 -1.26 -1.35 115.26 115.96 2ca3 n ASN 272 Ca -0.02 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 2ca3 n ASN 272 Cb 0.66 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 40.46 2ca3 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ca3 n GLY 273 N 2.12 0.54 3.71 8.20 0.00 0.18 -5.00 105.19 114.94 2ca3 n GLY 273 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2ca3 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ca3 n ALA 274 N 1.00 1.18 -2.56 4.61 0.00 -0.46 -4.62 120.51 119.66 2ca3 n ALA 274 Ca 0.00 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 2ca3 n ALA 274 Cb 0.07 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.17 2ca3 n ALA 274 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ca3 s SER 275 N -1.01 6.74 0.11 0.00 1.04 -1.26 -1.05 113.70 118.27 2ca3 s SER 275 Ca 0.73 0.88 0.03 0.00 0.48 0.00 0.00 55.95 58.07 2ca3 s SER 275 Cb -0.42 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2ca3 s SER 275 CO 0.48 0.29 -0.08 0.68 0.98 0.00 0.00 173.24 175.60 2ca3 s VAL 276 N -0.83 0.85 -0.19 5.02 -7.23 -0.43 -4.93 120.40 112.65 2ca3 s VAL 276 Ca 0.23 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 2ca3 s VAL 276 Cb -0.16 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2ca3 s VAL 276 CO 0.12 -0.82 0.73 -0.75 -0.31 0.00 0.00 175.10 174.07 2ca3 s LYS 277 N -3.75 4.24 0.28 4.82 2.20 -1.26 -1.81 119.74 124.46 2ca3 s LYS 277 Ca 0.13 0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 56.26 2ca3 s LYS 277 Cb 0.04 -3.58 -0.14 0.00 -1.51 0.00 0.00 37.83 32.64 2ca3 s LYS 277 CO -0.03 -0.30 1.15 0.00 -0.36 0.00 0.00 175.35 175.80 2ca3 n ALA 278 N 5.22 0.26 0.00 3.13 0.00 -0.57 -4.57 120.51 123.98 2ca3 n ALA 278 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2ca3 n ALA 278 Cb 0.49 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2ca3 n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ca3 n GLY 279 N 1.31 0.32 3.63 0.00 0.00 0.59 -4.93 105.19 106.10 2ca3 n GLY 279 Ca 0.09 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2ca3 n GLY 279 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ca3 s GLU 280 N -0.69 3.89 -0.23 1.61 0.41 -1.26 0.11 118.70 122.54 2ca3 s GLU 280 Ca 0.00 1.15 -0.06 0.00 -0.41 0.00 0.00 54.97 55.66 2ca3 s GLU 280 Cb 0.00 -3.88 -0.02 0.00 -1.78 0.00 0.00 34.13 28.45 2ca3 s GLU 280 CO 0.00 -1.15 0.02 0.08 -0.49 0.00 0.00 175.26 173.72 2ca3 s VAL 281 N 4.39 3.95 -0.00 2.63 1.01 0.32 -4.87 120.40 127.83 2ca3 s VAL 281 Ca 0.55 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2ca3 s VAL 281 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2ca3 s VAL 281 CO 0.24 0.38 1.03 -2.84 0.00 0.00 0.00 175.10 173.91 2ca3 s PRO 282 N 1.46 4.52 0.10 2.72 0.02 -1.26 -0.49 135.00 142.07 2ca3 s PRO 282 Ca 0.05 1.49 0.09 0.00 0.02 0.00 0.00 61.00 62.65 2ca3 s PRO 282 Cb -0.15 -3.45 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 2ca3 s PRO 282 CO 0.01 -0.13 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.81 2ca3 s LEU 283 N 1.16 2.28 0.10 -5.54 1.43 0.16 -4.99 118.68 113.28 2ca3 s LEU 283 Ca 0.53 -0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2ca3 s LEU 283 Cb -0.22 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 2ca3 s LEU 283 CO 0.27 0.12 0.20 0.00 0.23 0.00 0.00 176.35 177.17 2ca3 s ARG 284 N -1.81 0.88 0.00 1.70 1.70 -1.26 -0.90 118.95 119.25 2ca3 s ARG 284 Ca 0.09 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 2ca3 s ARG 284 Cb -0.10 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 2ca3 s ARG 284 CO 0.04 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 2ca3 n GLY 285 N -0.08 1.07 3.17 3.88 0.00 -0.97 -0.98 105.19 111.27 2ca3 n GLY 285 Ca -0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2ca3 n GLY 285 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ca3 s ILE 286 N -1.57 0.38 0.03 -0.61 -4.36 -0.71 -1.83 121.20 112.53 2ca3 s ILE 286 Ca 0.00 -1.91 -0.14 0.00 -0.26 0.00 0.00 60.65 58.33 2ca3 s ILE 286 Cb 0.00 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.84 2ca3 s ILE 286 CO 0.00 -0.65 0.31 0.00 0.24 0.00 0.00 174.94 174.84 2ca3 s ALA 287 N -3.84 -0.73 0.23 2.27 0.00 0.36 -1.69 121.76 118.36 2ca3 s ALA 287 Ca 0.18 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 2ca3 s ALA 287 Cb 0.07 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.49 2ca3 s ALA 287 CO -0.01 -0.38 0.64 -0.59 0.00 0.00 0.00 175.76 175.41 2ca3 s PHE 288 N -2.29 -0.22 0.00 0.00 -0.12 -0.79 0.61 117.98 115.17 2ca3 s PHE 288 Ca -0.07 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 2ca3 s PHE 288 Cb -0.02 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2ca3 s PHE 288 CO -0.02 -1.07 0.00 -0.40 -0.05 0.00 0.00 175.22 173.68 2ca3 n ASP 289 N -0.41 0.00 -0.07 1.98 5.75 -1.26 -1.37 116.55 121.17 2ca3 n ASP 289 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2ca3 n ASP 289 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 2ca3 n ASP 289 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ca3 n GLY 290 N 0.00 -0.68 0.00 6.12 0.00 -1.23 -4.79 105.19 104.60 2ca3 n GLY 290 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ca3 n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ca3 n GLY 291 N 0.46 1.29 0.05 -0.02 0.00 -1.26 -4.49 105.19 101.22 2ca3 n GLY 291 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2ca3 n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ca3 n TYR 292 N -1.08 0.38 0.00 1.61 4.01 -1.26 -4.81 117.16 116.01 2ca3 n TYR 292 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2ca3 n TYR 292 Cb 0.00 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 2ca3 n TYR 292 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ca3 n GLY 293 N 1.37 1.83 3.67 2.72 0.00 -1.26 -4.24 105.19 109.28 2ca3 n GLY 293 Ca 0.03 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 2ca3 n GLY 293 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ca3 s ILE 294 N 0.00 4.51 -0.11 -0.61 -1.09 -1.26 -1.25 121.20 121.39 2ca3 s ILE 294 Ca 0.00 1.81 -0.09 0.00 -2.23 0.00 0.00 60.65 60.14 2ca3 s ILE 294 Cb 0.00 -4.17 -0.26 0.00 -1.58 0.00 0.00 42.46 36.45 2ca3 s ILE 294 CO 0.00 -0.08 0.41 0.74 -1.23 0.00 0.00 174.94 174.78 2ca3 h THR 295 N 5.26 0.72 -2.84 2.92 2.02 -1.21 -3.47 112.91 116.31 2ca3 h THR 295 Ca -0.27 -2.36 -0.03 0.00 0.77 0.00 0.00 66.41 64.52 2ca3 h THR 295 Cb 1.12 2.54 -0.13 0.00 -1.74 0.00 0.00 68.15 69.93 2ca3 h THR 295 CO 0.92 0.84 0.21 0.00 0.37 0.00 0.00 175.52 177.86 2ca3 s GLN 296 N -2.54 1.24 -0.10 6.66 1.03 -1.10 -5.02 119.66 119.83 2ca3 s GLN 296 Ca -0.22 -0.35 0.01 0.00 0.04 0.00 0.00 55.36 54.84 2ca3 s GLN 296 Cb 0.06 0.58 0.02 0.00 0.03 0.00 0.00 33.01 33.70 2ca3 s GLN 296 CO 0.77 -0.52 -0.10 0.08 -2.54 0.00 0.00 175.29 172.98 2ca3 s VAL 297 N -3.34 1.12 0.01 3.63 1.01 -1.26 -1.37 120.40 120.20 2ca3 s VAL 297 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2ca3 s VAL 297 Cb -0.01 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2ca3 s VAL 297 CO -0.09 0.37 0.03 -0.44 0.00 0.00 0.00 175.10 174.97 2ca3 s SER 298 N 1.33 5.33 -0.01 3.32 0.01 -0.29 -0.83 113.70 122.56 2ca3 s SER 298 Ca -0.02 0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.33 2ca3 s SER 298 Cb -0.14 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 2ca3 s SER 298 CO -0.04 0.27 -0.15 -0.69 0.41 0.00 0.00 173.24 173.03 2ca3 s VAL 299 N -1.15 1.21 0.02 3.43 1.01 0.11 -1.16 120.40 123.87 2ca3 s VAL 299 Ca 0.21 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2ca3 s VAL 299 Cb -0.12 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2ca3 s VAL 299 CO 0.12 0.31 -0.14 -0.55 0.00 0.00 0.00 175.10 174.84 2ca3 s SER 300 N -0.45 1.70 0.00 3.32 0.15 0.01 -0.00 113.70 118.43 2ca3 s SER 300 Ca 0.06 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2ca3 s SER 300 Cb -0.06 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2ca3 s SER 300 CO -0.00 0.09 0.89 0.00 1.20 0.00 0.00 173.24 175.42 2ca3 n ALA 301 N 2.19 2.06 -2.51 5.45 0.00 -1.26 -1.00 120.51 125.44 2ca3 n ALA 301 Ca -0.17 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.26 2ca3 n ALA 301 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.03 2ca3 n ALA 301 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ca3 n ASP 302 N -0.39 3.00 -3.45 0.00 5.68 -1.19 -3.74 116.55 116.45 2ca3 n ASP 302 Ca 0.00 -2.89 -0.25 0.00 -0.50 0.00 0.00 54.79 51.15 2ca3 n ASP 302 Cb 0.21 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 39.76 2ca3 n ASP 302 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ca3 n ALA 303 N -0.53 -1.10 -0.57 2.12 0.00 -0.44 -2.61 120.51 117.38 2ca3 n ALA 303 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2ca3 n ALA 303 Cb 0.84 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.82 2ca3 n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ca3 n GLY 304 N -1.38 0.71 0.17 0.00 0.00 -1.26 -4.95 105.19 98.48 2ca3 n GLY 304 Ca -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2ca3 n GLY 304 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ca3 h LYS 305 N 2.06 0.26 -3.62 1.61 1.57 -1.92 -3.46 116.57 113.07 2ca3 h LYS 305 Ca 0.00 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2ca3 h LYS 305 Cb 0.00 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.17 2ca3 h LYS 305 CO 0.00 0.80 -0.40 -1.54 -0.57 0.00 0.00 179.45 177.74 2ca3 s SER 306 N -6.90 0.06 0.02 0.86 1.04 -1.26 -5.12 113.70 102.40 2ca3 s SER 306 Ca -0.04 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.01 2ca3 s SER 306 Cb 0.12 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2ca3 s SER 306 CO 0.80 -0.58 -0.13 0.26 0.98 0.00 0.00 173.24 174.58 2ca3 s TRP 307 N -2.74 1.16 -0.02 5.02 0.52 -1.26 -4.36 118.94 117.26 2ca3 s TRP 307 Ca -0.04 -0.30 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2ca3 s TRP 307 Cb -0.00 -0.71 -0.03 0.00 -1.15 0.00 0.00 33.47 31.58 2ca3 s TRP 307 CO -0.05 0.01 -0.19 0.99 0.02 0.00 0.00 176.95 177.73 2ca3 s THR 308 N -0.65 2.68 -0.17 2.01 2.01 1.00 -4.91 115.64 117.61 2ca3 s THR 308 Ca 0.02 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 2ca3 s THR 308 Cb -0.07 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 2ca3 s THR 308 CO 0.01 0.53 1.04 0.21 -0.69 0.00 0.00 174.62 175.72 2ca3 s ASN 309 N -0.84 7.16 0.55 3.53 2.47 -1.26 0.04 114.94 126.58 2ca3 s ASN 309 Ca 0.12 1.47 -0.16 0.00 0.42 0.00 0.00 52.86 54.71 2ca3 s ASN 309 Cb -0.10 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.09 2ca3 s ASN 309 CO 0.01 -0.57 1.01 0.00 -3.72 0.00 0.00 177.10 173.83 2ca3 s ALA 310 N 2.66 2.97 -0.12 1.71 0.00 -0.01 -4.94 121.76 124.03 2ca3 s ALA 310 Ca 0.47 0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 2ca3 s ALA 310 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2ca3 s ALA 310 CO 0.12 -0.45 0.62 0.99 0.00 0.00 0.00 175.76 177.05 2ca3 s THR 311 N -2.63 5.08 0.06 0.00 2.01 0.72 -4.68 115.64 116.20 2ca3 s THR 311 Ca 0.60 1.25 -0.26 0.00 0.31 0.00 0.00 61.69 63.59 2ca3 s THR 311 Cb -0.12 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 2ca3 s THR 311 CO 0.35 0.23 0.81 -0.76 -0.69 0.00 0.00 174.62 174.56 2ca3 s LEU 312 N 1.06 4.46 0.84 4.42 1.43 -1.26 -0.48 118.68 129.15 2ca3 s LEU 312 Ca 0.32 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 2ca3 s LEU 312 Cb -0.16 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 42.85 2ca3 s LEU 312 CO 0.14 0.00 1.13 -1.81 0.23 0.00 0.00 176.35 176.04 2ca3 s ASP 313 N -0.08 3.67 0.35 2.29 1.01 -0.06 -4.95 116.67 118.89 2ca3 s ASP 313 Ca 0.40 2.05 -0.28 0.00 0.71 0.00 0.00 52.55 55.43 2ca3 s ASP 313 Cb -0.21 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 2ca3 s ASP 313 CO 0.24 -2.60 1.33 -2.65 0.21 0.00 0.00 175.17 171.70 2ca3 n PRO 314 N -3.83 2.23 -1.88 8.23 -0.02 -1.26 -4.71 135.00 133.76 2ca3 n PRO 314 Ca 0.11 0.78 -0.31 0.00 -2.02 0.00 0.00 63.50 62.06 2ca3 n PRO 314 Cb 0.52 -2.39 0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2ca3 n PRO 314 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2ca3 s GLY 315 N -0.27 1.65 0.00 -1.23 0.00 -1.26 -4.80 107.32 101.41 2ca3 s GLY 315 Ca 0.55 -0.20 0.09 0.00 0.00 0.00 0.00 44.72 45.16 2ca3 s GLY 315 CO 0.63 0.12 0.89 1.04 0.00 0.00 0.00 173.10 175.77 2ca3 n LEU 316 N -2.86 2.00 0.00 0.66 4.77 -1.26 -5.08 117.00 115.23 2ca3 n LEU 316 Ca 0.06 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2ca3 n LEU 316 Cb 0.55 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2ca3 n LEU 316 CO 0.58 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2ca3 n GLY 317 N 0.47 4.45 0.28 -0.72 0.00 -1.26 -4.58 105.19 103.83 2ca3 n GLY 317 Ca 0.06 -1.31 0.19 0.00 0.00 0.00 0.00 46.02 44.96 2ca3 n GLY 317 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ca3 h LYS 318 N 0.00 0.00 -0.01 1.61 2.10 -1.90 -2.13 116.57 116.24 2ca3 h LYS 318 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ca3 h LYS 318 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2ca3 h LYS 318 CO 0.00 0.00 -0.47 0.66 -2.00 0.00 0.00 179.45 177.64 2ca3 n TYR 319 N -2.89 0.00 -2.14 0.07 4.01 -1.26 -4.06 117.16 110.89 2ca3 n TYR 319 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 2ca3 n TYR 319 Cb 0.14 -0.05 0.02 0.00 -0.31 0.00 0.00 39.34 39.14 2ca3 n TYR 319 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ca3 s SER 320 N -2.56 5.95 0.32 7.72 0.15 -0.80 -1.52 113.70 122.96 2ca3 s SER 320 Ca 0.19 1.12 -0.28 0.00 0.70 0.00 0.00 55.95 57.67 2ca3 s SER 320 Cb 0.18 -2.17 -0.13 0.00 -1.71 0.00 0.00 66.02 62.20 2ca3 s SER 320 CO 0.59 -0.94 1.28 0.49 1.20 0.00 0.00 173.24 175.87 2ca3 n PHE 321 N -2.67 2.19 -3.87 3.44 3.72 -1.26 -4.74 117.46 114.28 2ca3 n PHE 321 Ca 0.05 0.55 -0.36 0.00 -0.05 0.00 0.00 57.45 57.64 2ca3 n PHE 321 Cb 0.56 -2.41 -0.12 0.00 -0.94 0.00 0.00 39.48 36.56 2ca3 n PHE 321 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2ca3 s ARG 322 N -1.66 3.67 0.55 -1.08 6.06 0.20 -4.69 118.95 121.99 2ca3 s ARG 322 Ca 0.57 -0.48 -0.16 0.00 -2.50 0.00 0.00 55.73 53.16 2ca3 s ARG 322 Cb -0.59 -3.24 -0.06 0.00 0.06 0.00 0.00 34.95 31.12 2ca3 s ARG 322 CO 0.60 -0.09 1.02 0.20 -2.50 0.00 0.00 175.30 174.53 2ca3 s GLY 323 N 1.33 2.10 0.11 8.12 0.00 -1.26 -0.49 107.32 117.23 2ca3 s GLY 323 Ca 0.05 0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 2ca3 s GLY 323 CO 0.03 0.58 0.19 0.66 0.00 0.00 0.00 173.10 174.56 2ca3 s TRP 324 N -2.53 0.32 -0.01 1.90 1.48 -0.76 -0.88 118.94 118.45 2ca3 s TRP 324 Ca 0.61 -0.73 -0.03 0.00 -1.06 0.00 0.00 56.10 54.89 2ca3 s TRP 324 Cb -0.13 -0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.07 2ca3 s TRP 324 CO 0.33 -0.59 0.08 0.15 -4.06 0.00 0.00 176.95 172.86 2ca3 s LYS 325 N -3.92 0.24 -0.03 3.25 1.02 0.37 -2.28 119.74 118.40 2ca3 s LYS 325 Ca 0.11 -0.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.77 2ca3 s LYS 325 Cb 0.05 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.49 2ca3 s LYS 325 CO -0.06 -0.05 0.36 0.00 -0.92 0.00 0.00 175.35 174.68 2ca3 s ALA 326 N -0.64 -0.90 -0.20 5.17 0.00 -0.08 -0.20 121.76 124.91 2ca3 s ALA 326 Ca -0.07 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2ca3 s ALA 326 Cb -0.04 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.13 2ca3 s ALA 326 CO 0.00 -0.27 -0.16 0.08 0.00 0.00 0.00 175.76 175.42 2ca3 s VAL 327 N -1.20 1.97 -0.07 0.00 1.01 -1.26 0.36 120.40 121.21 2ca3 s VAL 327 Ca -0.12 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2ca3 s VAL 327 Cb -0.04 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2ca3 s VAL 327 CO 0.05 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 174.62 2ca3 s LEU 328 N 1.29 2.81 -0.18 3.92 1.02 0.36 -4.82 118.68 123.07 2ca3 s LEU 328 Ca 0.01 -0.18 -0.29 0.00 0.02 0.00 0.00 54.13 53.68 2ca3 s LEU 328 Cb -0.15 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 2ca3 s LEU 328 CO -0.10 0.32 1.27 -2.16 0.02 0.00 0.00 176.35 175.70 2ca3 s PRO 329 N -0.57 4.19 -0.18 1.29 0.04 -1.26 0.12 135.00 138.63 2ca3 s PRO 329 Ca 0.08 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2ca3 s PRO 329 Cb -0.11 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.63 2ca3 s PRO 329 CO 0.01 -0.77 -0.08 -0.51 0.04 0.00 0.00 177.00 175.70 2ca3 s LEU 330 N 3.63 2.88 0.63 -3.56 1.02 0.30 -4.94 118.68 118.65 2ca3 s LEU 330 Ca 0.55 -0.33 -0.15 0.00 0.02 0.00 0.00 54.13 54.23 2ca3 s LEU 330 Cb -0.21 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 2ca3 s LEU 330 CO 0.16 0.08 1.08 0.42 0.02 0.00 0.00 176.35 178.11 2ca3 s THR 331 N 0.88 3.59 0.33 5.49 -4.23 -1.26 -0.30 115.64 120.14 2ca3 s THR 331 Ca -0.02 0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 60.93 2ca3 s THR 331 Cb -0.15 -3.26 -0.12 0.00 1.34 0.00 0.00 72.50 70.31 2ca3 s THR 331 CO 0.01 -0.47 1.29 0.29 -0.54 0.00 0.00 174.62 175.19 2ca3 n LYS 332 N -2.30 2.11 0.00 3.99 5.02 -1.26 -4.69 118.16 121.02 2ca3 n LYS 332 Ca 0.09 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 2ca3 n LYS 332 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2ca3 n LYS 332 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ca3 n GLY 333 N 0.86 0.11 3.76 0.72 0.00 0.93 -4.95 105.19 106.63 2ca3 n GLY 333 Ca 0.05 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 2ca3 n GLY 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ca3 s ASP 334 N -2.05 7.17 -0.01 1.61 1.11 -1.26 -0.77 116.67 122.47 2ca3 s ASP 334 Ca 0.00 2.33 0.01 0.00 0.18 0.00 0.00 52.55 55.07 2ca3 s ASP 334 Cb 0.00 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.37 2ca3 s ASP 334 CO 0.00 -0.23 -0.01 -1.00 1.18 0.00 0.00 175.17 175.11 2ca3 s HIS 335 N -1.03 0.21 -0.41 4.23 3.76 -0.49 -4.95 115.29 116.62 2ca3 s HIS 335 Ca 0.46 -0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 55.19 2ca3 s HIS 335 Cb -0.33 -0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.19 2ca3 s HIS 335 CO 0.42 -0.03 0.38 0.08 -0.85 0.00 0.00 174.74 174.74 2ca3 s VAL 336 N 0.21 5.16 0.11 -0.90 1.01 -1.25 -0.69 120.40 124.05 2ca3 s VAL 336 Ca -0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2ca3 s VAL 336 Cb -0.04 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2ca3 s VAL 336 CO -0.01 -0.35 0.52 -0.76 0.00 0.00 0.00 175.10 174.51 2ca3 s LEU 337 N 1.96 4.38 0.03 3.92 1.43 0.85 -1.32 118.68 129.94 2ca3 s LEU 337 Ca 0.10 1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.24 2ca3 s LEU 337 Cb -0.18 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 2ca3 s LEU 337 CO 0.12 0.16 0.02 -0.04 0.23 0.00 0.00 176.35 176.84 2ca3 s MET 338 N -1.73 0.44 0.08 1.70 -1.94 -0.17 -0.27 119.30 117.41 2ca3 s MET 338 Ca 0.34 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.68 2ca3 s MET 338 Cb -0.16 0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.81 2ca3 s MET 338 CO 0.18 -0.09 -0.17 0.00 -0.01 0.00 0.00 175.02 174.94 2ca3 s ARG 340 N -1.67 0.07 0.11 0.00 3.52 -0.31 -4.11 118.95 116.55 2ca3 s ARG 340 Ca 0.02 0.52 0.03 0.00 -0.13 0.00 0.00 55.73 56.18 2ca3 s ARG 340 Cb -0.10 -0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.04 2ca3 s ARG 340 CO 0.03 -0.26 0.15 0.00 -0.81 0.00 0.00 175.30 174.41 2ca3 s ALA 341 N 1.93 3.71 0.05 6.12 0.00 -1.26 -1.14 121.76 131.18 2ca3 s ALA 341 Ca -0.01 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.95 2ca3 s ALA 341 Cb -0.12 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2ca3 s ALA 341 CO -0.06 0.66 -0.13 0.95 0.00 0.00 0.00 175.76 177.18 2ca3 s THR 342 N -1.57 1.02 0.55 0.00 -4.23 -0.47 -3.64 115.64 107.30 2ca3 s THR 342 Ca 0.32 -1.13 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2ca3 s THR 342 Cb -0.12 -0.96 0.07 0.00 1.34 0.00 0.00 72.50 72.83 2ca3 s THR 342 CO 0.24 -0.15 0.58 -0.46 -0.54 0.00 0.00 174.62 174.30 2ca3 n ASN 343 N 1.59 2.43 0.09 3.99 0.23 -0.42 -0.77 115.26 122.39 2ca3 n ASN 343 Ca -0.20 -2.70 0.11 0.00 -0.53 0.00 0.00 54.58 51.26 2ca3 n ASN 343 Cb 0.55 -0.21 0.44 0.00 -2.08 0.00 0.00 39.78 38.48 2ca3 n ASN 343 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ca3 n ALA 344 N -2.09 1.79 -0.50 -2.53 0.00 -0.38 -1.54 120.51 115.26 2ca3 n ALA 344 Ca -0.15 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.40 2ca3 n ALA 344 Cb 0.60 -1.37 0.30 0.00 0.00 0.00 0.00 19.45 18.98 2ca3 n ALA 344 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ca3 n ARG 345 N -2.02 3.24 -0.70 0.00 1.85 -1.26 -4.96 116.66 112.80 2ca3 n ARG 345 Ca 0.03 -2.65 0.00 0.00 -1.00 0.00 0.00 57.85 54.23 2ca3 n ARG 345 Cb 0.25 -1.67 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 2ca3 n ARG 345 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ca3 n GLY 346 N 0.95 0.71 3.77 2.89 0.00 -0.59 -5.04 105.19 107.88 2ca3 n GLY 346 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2ca3 n GLY 346 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ca3 s GLU 347 N -0.30 4.25 0.00 1.61 2.02 -1.26 -4.83 118.70 120.19 2ca3 s GLU 347 Ca 0.00 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.07 2ca3 s GLU 347 Cb 0.00 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2ca3 s GLU 347 CO 0.00 -0.23 0.00 -2.37 0.02 0.00 0.00 175.26 172.68 2ca3 n THR 348 N 0.56 0.00 -4.61 3.63 5.66 -1.26 -1.31 114.28 116.95 2ca3 n THR 348 Ca 0.01 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.68 2ca3 n THR 348 Cb 0.43 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 2ca3 n THR 348 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2ca3 s GLN 349 N -1.50 2.78 0.45 1.09 -0.21 -1.24 -4.56 119.66 116.47 2ca3 s GLN 349 Ca 0.00 -0.54 -0.21 0.00 0.02 0.00 0.00 55.36 54.63 2ca3 s GLN 349 Cb 0.00 -2.61 -0.10 0.00 1.00 0.00 0.00 33.01 31.31 2ca3 s GLN 349 CO 0.00 0.66 1.00 -1.25 -2.12 0.00 0.00 175.29 173.57 2ca3 s PRO 350 N -0.79 4.03 0.30 2.91 0.04 -1.26 -4.71 135.00 135.52 2ca3 s PRO 350 Ca 0.12 1.26 0.12 0.00 0.04 0.00 0.00 61.00 62.54 2ca3 s PRO 350 Cb -0.11 -2.17 0.46 0.00 0.04 0.00 0.00 34.50 32.73 2ca3 s PRO 350 CO 0.01 -0.22 1.67 0.52 0.04 0.00 0.00 177.00 179.02 2ca3 h MET 351 N 1.79 0.00 -6.13 4.56 2.86 -1.95 -0.76 114.93 115.30 2ca3 h MET 351 Ca -0.49 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.46 2ca3 h MET 351 Cb 1.20 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.60 2ca3 h MET 351 CO 0.60 0.54 -0.80 -0.65 1.06 0.00 0.00 176.91 177.66 2ca3 s GLN 352 N -3.71 2.62 0.34 1.72 -0.21 -1.26 -4.64 119.66 114.52 2ca3 s GLN 352 Ca -0.01 -0.76 -0.28 0.00 0.02 0.00 0.00 55.36 54.32 2ca3 s GLN 352 Cb 0.13 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.69 2ca3 s GLN 352 CO 0.75 0.50 1.28 0.00 -2.12 0.00 0.00 175.29 175.70 2ca3 s ALA 353 N -0.43 3.45 0.60 6.09 0.00 -1.26 -4.91 121.76 125.30 2ca3 s ALA 353 Ca 0.05 1.21 0.09 0.00 0.00 0.00 0.00 51.96 53.31 2ca3 s ALA 353 Cb -0.12 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.64 2ca3 s ALA 353 CO 0.02 -0.61 0.83 0.95 0.00 0.00 0.00 175.76 176.95 2ca3 s THR 354 N -1.17 2.03 0.03 0.00 -4.23 -1.26 -5.09 115.64 105.95 2ca3 s THR 354 Ca 0.50 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2ca3 s THR 354 Cb -0.38 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 2ca3 s THR 354 CO 0.51 0.00 -0.04 0.86 -0.54 0.00 0.00 174.62 175.41 2ca3 s TRP 355 N -2.73 0.38 0.06 3.99 -0.00 -1.26 -4.88 118.94 114.51 2ca3 s TRP 355 Ca 0.63 -0.57 -0.13 0.00 -0.00 0.00 0.00 56.10 56.03 2ca3 s TRP 355 Cb -0.05 -0.26 0.02 0.00 -0.00 0.00 0.00 33.47 33.18 2ca3 s TRP 355 CO 0.40 -0.18 0.29 0.54 -0.00 0.00 0.00 176.95 178.00 2ca3 s ASN 356 N -1.63 -0.08 0.41 5.86 4.22 -1.26 -1.00 114.94 121.46 2ca3 s ASN 356 Ca -0.12 -0.31 0.15 0.00 -2.14 0.00 0.00 52.86 50.43 2ca3 s ASN 356 Cb -0.08 0.37 1.01 0.00 1.28 0.00 0.00 41.25 43.82 2ca3 s ASN 356 CO -0.01 -0.67 1.91 -0.65 -2.04 0.00 0.00 177.10 175.64 2ca3 h PRO 357 N 3.02 0.45 0.00 3.55 0.11 -1.95 -2.05 132.00 135.12 2ca3 h PRO 357 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2ca3 h PRO 357 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2ca3 h PRO 357 CO 0.48 0.30 -0.56 0.00 -0.21 0.00 0.00 178.00 178.02 2ca3 n ALA 358 N -2.51 2.87 -2.73 -0.75 0.00 -1.26 -4.69 120.51 111.45 2ca3 n ALA 358 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 2ca3 n ALA 358 Cb 0.52 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.79 2ca3 n ALA 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ca3 n GLY 359 N 1.34 0.14 3.88 0.00 0.00 -0.77 -4.93 105.19 104.85 2ca3 n GLY 359 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2ca3 n GLY 359 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ca3 s TYR 360 N -2.92 3.48 -0.83 1.61 2.02 -1.26 -4.40 117.35 115.05 2ca3 s TYR 360 Ca 0.18 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 2ca3 s TYR 360 Cb -0.08 -2.37 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 2ca3 s TYR 360 CO 0.22 -0.09 0.00 -1.33 -1.57 0.00 0.00 175.55 172.78 2ca3 n MET 361 N -1.39 -0.87 -1.61 -0.62 2.81 -0.69 -4.83 117.12 109.91 2ca3 n MET 361 Ca 0.02 0.71 -0.49 0.00 -1.81 0.00 0.00 57.70 56.12 2ca3 n MET 361 Cb 0.54 -4.63 -0.04 0.00 -0.71 0.00 0.00 33.22 28.38 2ca3 n MET 361 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2ca3 n ARG 362 N -2.12 1.49 -0.60 0.03 0.63 -1.26 -4.87 116.66 109.97 2ca3 n ARG 362 Ca -0.08 0.53 -0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2ca3 n ARG 362 Cb 0.34 -2.16 -0.00 0.00 0.45 0.00 0.00 32.46 31.09 2ca3 n ARG 362 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ca3 n ASN 363 N 2.46 -0.01 -4.57 6.15 6.94 -1.26 -5.01 115.26 119.96 2ca3 n ASN 363 Ca 0.16 -1.53 -0.42 0.00 -0.02 0.00 0.00 54.58 52.77 2ca3 n ASN 363 Cb 0.25 -0.08 0.01 0.00 -2.36 0.00 0.00 39.78 37.60 2ca3 n ASN 363 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 2ca3 n VAL 364 N 0.03 2.30 -1.70 3.53 3.14 -1.26 -4.32 118.33 120.04 2ca3 n VAL 364 Ca -0.02 -0.50 -0.56 0.00 -2.96 0.00 0.00 64.34 60.30 2ca3 n VAL 364 Cb 0.63 -0.98 -0.07 0.00 -1.06 0.00 0.00 33.84 32.37 2ca3 n VAL 364 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2ca3 n VAL 365 N -0.57 0.33 -2.71 1.55 0.31 -0.29 -4.90 118.33 112.04 2ca3 n VAL 365 Ca 0.10 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.96 2ca3 n VAL 365 Cb 0.39 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 2ca3 n VAL 365 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2ca3 s GLU 366 N 3.44 4.61 -0.07 5.55 0.41 -1.26 -4.98 118.70 126.39 2ca3 s GLU 366 Ca 0.97 1.44 -0.00 0.00 -0.41 0.00 0.00 54.97 56.97 2ca3 s GLU 366 Cb -1.01 -3.43 -0.03 0.00 -1.78 0.00 0.00 34.13 27.89 2ca3 s GLU 366 CO 0.62 0.04 -0.05 0.00 -0.49 0.00 0.00 175.26 175.39 2ca3 s ALA 367 N 0.64 3.08 -0.11 5.21 0.00 -1.26 -3.55 121.76 125.77 2ca3 s ALA 367 Ca 0.50 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 2ca3 s ALA 367 Cb -0.22 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.63 2ca3 s ALA 367 CO 0.29 0.57 0.07 0.99 0.00 0.00 0.00 175.76 177.68 2ca3 s THR 368 N -0.81 -0.05 -0.14 0.00 2.01 0.63 -4.95 115.64 112.33 2ca3 s THR 368 Ca 0.12 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 2ca3 s THR 368 Cb -0.11 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 2ca3 s THR 368 CO 0.02 -0.04 1.10 -0.60 -0.69 0.00 0.00 174.62 174.41 2ca3 s ARG 369 N 2.13 4.32 0.33 4.92 3.52 -1.26 -0.10 118.95 132.81 2ca3 s ARG 369 Ca 0.03 1.49 0.10 0.00 -0.13 0.00 0.00 55.73 57.22 2ca3 s ARG 369 Cb -0.14 -3.61 -0.06 0.00 -1.56 0.00 0.00 34.95 29.57 2ca3 s ARG 369 CO -0.06 -0.51 -0.12 0.14 -0.81 0.00 0.00 175.30 173.94 2ca3 s VAL 370 N 2.68 2.32 -0.26 7.11 -7.23 0.13 0.51 120.40 125.66 2ca3 s VAL 370 Ca 0.50 -2.26 -0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2ca3 s VAL 370 Cb -0.19 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.24 2ca3 s VAL 370 CO 0.14 -0.26 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.98 2ca3 s ILE 371 N -2.58 2.70 -0.03 -0.62 1.01 -0.21 -1.39 121.20 120.08 2ca3 s ILE 371 Ca 0.32 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 2ca3 s ILE 371 Cb 0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 2ca3 s ILE 371 CO 0.16 0.07 0.61 0.00 0.00 0.00 0.00 174.94 175.78 2ca3 s ALA 372 N 1.25 3.45 0.00 9.38 0.00 0.05 -1.32 121.76 134.57 2ca3 s ALA 372 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2ca3 s ALA 372 Cb -0.18 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2ca3 s ALA 372 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 175.76 175.81