#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d31 s ILE 2 N 0.00 5.22 -0.10 2.02 1.01 -1.03 0.44 121.20 128.76 3d31 s ILE 2 Ca 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 3d31 s ILE 2 Cb 0.00 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.83 3d31 s ILE 2 CO 0.00 0.13 -0.06 -0.70 0.00 0.00 0.00 174.94 174.31 3d31 s GLU 3 N 1.94 1.34 -0.23 2.79 2.12 -0.78 -0.35 118.70 125.53 3d31 s GLU 3 Ca 0.11 -0.19 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 3d31 s GLU 3 Cb -0.16 -1.45 -0.05 0.00 0.26 0.00 0.00 34.13 32.73 3d31 s GLU 3 CO 0.11 -0.26 0.15 0.42 -0.54 0.00 0.00 175.26 175.14 3d31 s ILE 4 N 1.71 5.37 -0.32 -3.70 1.01 -0.48 -0.69 121.20 124.09 3d31 s ILE 4 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3d31 s ILE 4 Cb -0.13 -3.49 0.08 0.00 0.01 0.00 0.00 42.46 38.93 3d31 s ILE 4 CO -0.07 0.37 0.03 -0.70 0.00 0.00 0.00 174.94 174.57 3d31 s GLU 5 N 0.90 2.08 -1.30 2.79 2.12 -0.66 -1.07 118.70 123.55 3d31 s GLU 5 Ca 0.08 -1.54 -0.09 0.00 0.36 0.00 0.00 54.97 53.78 3d31 s GLU 5 Cb -0.13 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 3d31 s GLU 5 CO 0.03 -0.78 0.57 0.43 -0.54 0.00 0.00 175.26 174.98 3d31 n SER 6 N 4.49 -2.23 -4.83 -1.70 7.64 -0.93 -1.22 113.62 114.83 3d31 n SER 6 Ca -0.07 -1.01 -0.33 0.00 1.01 0.00 0.00 58.87 58.47 3d31 n SER 6 Cb 0.42 -3.16 -0.06 0.00 -1.01 0.00 0.00 64.21 60.40 3d31 n SER 6 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3d31 s LEU 7 N -6.80 3.92 -0.29 -3.43 0.20 -0.28 -3.38 118.68 108.61 3d31 s LEU 7 Ca 0.19 1.52 -0.15 0.00 0.69 0.00 0.00 54.13 56.38 3d31 s LEU 7 Cb -0.07 -4.37 0.13 0.00 -0.43 0.00 0.00 46.19 41.45 3d31 s LEU 7 CO 0.88 -0.35 0.89 -0.44 -0.29 0.00 0.00 176.35 177.03 3d31 s SER 8 N -2.40 -0.68 -0.04 3.68 0.01 -0.91 -1.43 113.70 111.93 3d31 s SER 8 Ca 0.59 1.03 -0.10 0.00 1.31 0.00 0.00 55.95 58.77 3d31 s SER 8 Cb -0.10 1.45 0.02 0.00 0.21 0.00 0.00 66.02 67.60 3d31 s SER 8 CO 0.18 -0.16 0.23 -0.60 0.41 0.00 0.00 173.24 173.31 3d31 s ARG 9 N 1.78 0.46 -0.15 12.44 6.06 -0.92 -0.65 118.95 137.98 3d31 s ARG 9 Ca -0.08 -0.04 0.00 0.00 -2.50 0.00 0.00 55.73 53.11 3d31 s ARG 9 Cb -0.05 0.21 0.03 0.00 0.06 0.00 0.00 34.95 35.19 3d31 s ARG 9 CO -0.17 -0.10 -0.10 0.15 -2.50 0.00 0.00 175.30 172.58 3d31 s LYS 10 N -0.76 1.84 0.00 5.12 1.02 -1.26 -1.72 119.74 123.99 3d31 s LYS 10 Ca -0.08 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.40 3d31 s LYS 10 Cb -0.05 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3d31 s LYS 10 CO 0.02 -0.32 0.00 0.91 -0.92 0.00 0.00 175.35 175.04 3d31 n TRP 11 N 4.83 -1.35 0.78 3.18 8.01 -0.88 -5.04 117.44 126.98 3d31 n TRP 11 Ca -0.14 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.18 3d31 n TRP 11 Cb 0.49 0.00 0.50 0.00 -2.01 0.00 0.00 31.31 30.29 3d31 n TRP 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3d31 n LYS 12 N -0.45 0.14 0.00 -0.99 5.02 -1.26 -4.33 118.16 116.29 3d31 n LYS 12 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3d31 n LYS 12 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 3d31 n LYS 12 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3d31 n ASN 13 N -1.91 0.00 -4.22 4.39 6.94 -1.26 -5.09 115.26 114.12 3d31 n ASN 13 Ca 0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.32 3d31 n ASN 13 Cb 0.38 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.63 3d31 n ASN 13 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3d31 s PHE 14 N 0.00 2.25 -0.13 -2.53 5.36 -1.26 -5.05 117.98 116.62 3d31 s PHE 14 Ca 0.00 -0.73 0.02 0.00 -0.96 0.00 0.00 56.93 55.26 3d31 s PHE 14 Cb 0.00 -1.49 0.01 0.00 -0.34 0.00 0.00 43.02 41.20 3d31 s PHE 14 CO 0.00 -0.25 -0.18 -1.12 -1.46 0.00 0.00 175.22 172.21 3d31 s SER 15 N 0.02 2.74 -0.25 6.13 0.01 -1.26 -2.07 113.70 119.02 3d31 s SER 15 Ca -0.07 -0.51 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 3d31 s SER 15 Cb -0.14 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.85 3d31 s SER 15 CO 0.04 0.03 -0.01 -0.76 0.41 0.00 0.00 173.24 172.96 3d31 s LEU 16 N 0.97 3.24 -0.05 2.44 1.43 -0.70 -4.05 118.68 121.96 3d31 s LEU 16 Ca -0.05 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3d31 s LEU 16 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3d31 s LEU 16 CO -0.03 -0.09 -0.21 1.51 0.23 0.00 0.00 176.35 177.76 3d31 s ASP 17 N 1.45 2.60 -0.29 2.29 -4.77 -1.22 -2.16 116.67 114.57 3d31 s ASP 17 Ca 0.03 -0.43 -0.25 0.00 -3.30 0.00 0.00 52.55 48.60 3d31 s ASP 17 Cb -0.16 -0.75 0.04 0.00 -1.09 0.00 0.00 42.92 40.97 3d31 s ASP 17 CO -0.02 0.19 0.43 -3.20 0.70 0.00 0.00 175.17 173.27 3d31 n ASN 18 N 3.08 -3.70 -4.30 2.11 5.15 -0.53 -4.66 115.26 112.41 3d31 n ASN 18 Ca -0.18 -0.09 -0.35 0.00 -0.60 0.00 0.00 54.58 53.36 3d31 n ASN 18 Cb 0.52 -1.07 -0.14 0.00 -0.53 0.00 0.00 39.78 38.57 3d31 n ASN 18 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3d31 s LEU 19 N -1.59 2.79 -0.08 1.20 1.43 -0.51 -4.74 118.68 117.17 3d31 s LEU 19 Ca 0.25 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3d31 s LEU 19 Cb -0.03 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3d31 s LEU 19 CO 0.56 0.00 -0.13 -0.44 0.23 0.00 0.00 176.35 176.57 3d31 s SER 20 N 1.33 1.96 0.05 2.29 0.01 -1.26 -1.13 113.70 116.95 3d31 s SER 20 Ca 0.04 -0.33 -0.17 0.00 1.31 0.00 0.00 55.95 56.80 3d31 s SER 20 Cb -0.14 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.23 3d31 s SER 20 CO -0.04 0.03 0.39 -0.76 0.41 0.00 0.00 173.24 173.27 3d31 s LEU 21 N 0.76 0.49 -0.19 2.44 1.43 -0.23 -4.96 118.68 118.42 3d31 s LEU 21 Ca -0.13 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3d31 s LEU 21 Cb -0.16 1.67 0.06 0.00 0.03 0.00 0.00 46.19 47.80 3d31 s LEU 21 CO 0.03 -0.66 0.04 -0.54 0.23 0.00 0.00 176.35 175.45 3d31 s LYS 22 N -2.52 0.56 -0.31 1.70 1.02 -1.26 -1.39 119.74 117.54 3d31 s LYS 22 Ca -0.05 -0.36 -0.10 0.00 0.02 0.00 0.00 55.97 55.48 3d31 s LYS 22 Cb -0.01 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 3d31 s LYS 22 CO -0.03 -0.64 0.17 0.08 -0.92 0.00 0.00 175.35 174.02 3d31 s VAL 23 N 1.90 4.87 0.41 3.17 1.01 0.52 -5.03 120.40 127.26 3d31 s VAL 23 Ca -0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 3d31 s VAL 23 Cb -0.17 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3d31 s VAL 23 CO -0.08 0.11 0.89 -1.61 0.00 0.00 0.00 175.10 174.41 3d31 s GLU 24 N 1.67 4.11 0.14 2.72 8.01 -1.26 -0.16 118.70 133.93 3d31 s GLU 24 Ca 0.06 0.95 -0.33 0.00 0.01 0.00 0.00 54.97 55.66 3d31 s GLU 24 Cb -0.17 -2.25 -0.17 0.00 -4.31 0.00 0.00 34.13 27.23 3d31 s GLU 24 CO 0.08 -0.02 0.90 -1.13 0.01 0.00 0.00 175.26 175.11 3d31 n SER 25 N -0.73 0.05 0.00 -0.19 3.41 -1.26 -1.64 113.62 113.26 3d31 n SER 25 Ca 0.06 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 3d31 n SER 25 Cb 0.54 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3d31 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d31 n GLY 26 N 1.82 2.18 3.75 5.00 0.00 -1.24 -4.97 105.19 111.73 3d31 n GLY 26 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3d31 n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d31 s GLU 27 N -0.01 4.67 -1.00 1.61 2.12 -0.65 -4.68 118.70 120.75 3d31 s GLU 27 Ca 0.00 1.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.88 3d31 s GLU 27 Cb 0.00 -3.26 0.22 0.00 0.26 0.00 0.00 34.13 31.35 3d31 s GLU 27 CO 0.00 0.22 1.04 -0.47 -0.54 0.00 0.00 175.26 175.51 3d31 s TYR 28 N -0.72 3.80 0.14 5.30 6.14 -1.26 -2.33 117.35 128.42 3d31 s TYR 28 Ca 0.46 -2.16 -0.29 0.00 0.64 0.00 0.00 57.07 55.72 3d31 s TYR 28 Cb -0.29 -3.98 -0.07 0.00 0.42 0.00 0.00 41.96 38.05 3d31 s TYR 28 CO 0.36 -1.12 0.91 0.12 0.64 0.00 0.00 175.55 176.46 3d31 s PHE 29 N 0.30 3.85 -0.13 4.97 5.36 0.13 -1.16 117.98 131.30 3d31 s PHE 29 Ca 0.28 1.77 0.01 0.00 -0.96 0.00 0.00 56.93 58.03 3d31 s PHE 29 Cb -0.08 -2.98 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 3d31 s PHE 29 CO -0.07 0.31 -0.15 0.08 -1.46 0.00 0.00 175.22 173.92 3d31 s VAL 30 N -0.40 1.59 -0.06 3.12 1.01 0.63 0.09 120.40 126.39 3d31 s VAL 30 Ca 0.43 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3d31 s VAL 30 Cb -0.24 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3d31 s VAL 30 CO 0.29 0.46 0.52 -0.63 0.00 0.00 0.00 175.10 175.74 3d31 s ILE 31 N 1.26 5.06 -0.01 2.22 1.01 0.11 0.08 121.20 130.91 3d31 s ILE 31 Ca -0.00 1.06 0.05 0.00 0.00 0.00 0.00 60.65 61.76 3d31 s ILE 31 Cb -0.14 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3d31 s ILE 31 CO -0.07 0.39 -0.16 -0.22 0.00 0.00 0.00 174.94 174.88 3d31 s LEU 32 N 0.08 2.02 0.00 2.97 2.96 -0.21 -1.88 118.68 124.62 3d31 s LEU 32 Ca 0.28 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3d31 s LEU 32 Cb -0.17 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.67 3d31 s LEU 32 CO 0.14 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.97 3d31 n GLY 33 N 2.72 2.06 3.06 7.98 0.00 -1.15 -0.95 105.19 118.90 3d31 n GLY 33 Ca -0.15 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 3d31 n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d31 n PRO 34 N 0.00 0.00 -4.05 1.61 -0.04 -1.10 -4.81 135.00 126.61 3d31 n PRO 34 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3d31 n PRO 34 Cb 0.00 -0.99 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 3d31 n PRO 34 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3d31 s THR 35 N -1.98 1.77 0.00 0.52 2.01 -1.26 -4.54 115.64 112.17 3d31 s THR 35 Ca 0.46 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.65 3d31 s THR 35 Cb -0.30 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.55 3d31 s THR 35 CO 0.76 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.74 3d31 n GLY 36 N 4.70 0.43 0.33 4.40 0.00 -1.26 -2.56 105.19 111.23 3d31 n GLY 36 Ca -0.18 0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.89 3d31 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d31 n ALA 37 N 4.59 -0.00 -0.12 4.61 0.00 -1.26 -2.06 120.51 126.27 3d31 n ALA 37 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.36 3d31 n ALA 37 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3d31 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d31 n GLY 38 N -1.47 -1.95 0.00 0.00 0.00 -1.06 -3.12 105.19 97.60 3d31 n GLY 38 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3d31 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d31 n LYS 39 N -1.82 0.00 -0.36 1.61 5.02 -1.03 -0.35 118.16 121.23 3d31 n LYS 39 Ca 0.00 0.53 0.25 0.00 -2.02 0.00 0.00 58.31 57.08 3d31 n LYS 39 Cb 0.00 -0.82 0.52 0.00 -0.02 0.00 0.00 35.03 34.71 3d31 n LYS 39 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3d31 h THR 40 N 0.00 0.38 0.01 -0.18 2.02 -1.57 -1.70 112.91 111.86 3d31 h THR 40 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3d31 h THR 40 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3d31 h THR 40 CO 0.00 0.06 -0.11 -0.07 0.37 0.00 0.00 175.52 175.78 3d31 h LEU 41 N 0.33 0.08 -0.75 2.58 3.38 -0.63 -1.50 115.31 118.80 3d31 h LEU 41 Ca 0.69 -0.86 0.17 0.00 0.09 0.00 0.00 57.88 57.96 3d31 h LEU 41 Cb 1.75 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.36 3d31 h LEU 41 CO -0.42 0.93 0.12 0.15 0.09 0.00 0.00 178.44 179.30 3d31 h PHE 42 N -0.77 0.16 -0.64 1.13 3.57 -0.52 0.47 116.94 120.35 3d31 h PHE 42 Ca -0.02 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3d31 h PHE 42 Cb 0.96 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3d31 h PHE 42 CO 0.22 -0.16 0.04 -0.07 -2.23 0.00 0.00 178.31 176.12 3d31 h LEU 43 N 0.20 1.07 -0.68 0.59 3.38 -1.37 -2.22 115.31 116.28 3d31 h LEU 43 Ca 0.42 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3d31 h LEU 43 Cb 0.75 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3d31 h LEU 43 CO -0.58 1.09 0.29 -0.33 0.09 0.00 0.00 178.44 179.00 3d31 h GLU 44 N 1.01 1.00 -0.74 1.13 5.08 0.58 -0.47 114.58 122.18 3d31 h GLU 44 Ca 0.19 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3d31 h GLU 44 Cb 0.52 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3d31 h GLU 44 CO 0.02 0.82 0.43 1.25 -1.00 0.00 0.00 179.01 180.54 3d31 h LEU 45 N 0.96 0.89 0.39 1.33 5.85 -0.05 0.35 115.31 125.02 3d31 h LEU 45 Ca 0.23 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3d31 h LEU 45 Cb 0.18 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3d31 h LEU 45 CO -0.02 0.69 -0.19 0.40 -0.34 0.00 0.00 178.44 178.98 3d31 h ILE 46 N 1.02 0.62 0.00 4.05 1.08 -0.78 -2.47 117.51 121.03 3d31 h ILE 46 Ca 0.26 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 3d31 h ILE 46 Cb -0.03 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3d31 h ILE 46 CO -0.05 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.45 3d31 n ALA 47 N -2.38 1.12 -1.60 1.87 0.00 -0.24 -4.86 120.51 114.41 3d31 n ALA 47 Ca -0.11 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3d31 n ALA 47 Cb 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3d31 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d31 n GLY 48 N -1.23 0.56 0.02 0.00 0.00 0.04 -4.20 105.19 100.37 3d31 n GLY 48 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.66 3d31 n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d31 n PHE 49 N -0.99 0.00 -3.70 1.61 3.01 -0.73 -4.07 117.46 112.59 3d31 n PHE 49 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 3d31 n PHE 49 Cb 0.38 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.68 3d31 n PHE 49 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3d31 s HIS 50 N -1.54 0.02 0.13 1.38 3.76 -1.26 -4.97 115.29 112.82 3d31 s HIS 50 Ca 0.03 0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.95 3d31 s HIS 50 Cb 0.05 -0.38 -0.07 0.00 1.11 0.00 0.00 32.58 33.28 3d31 s HIS 50 CO 0.26 -0.17 0.82 0.08 -0.85 0.00 0.00 174.74 174.87 3d31 s VAL 51 N 1.88 4.45 0.72 -0.90 1.01 -1.26 -4.64 120.40 121.65 3d31 s VAL 51 Ca 0.01 1.79 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 3d31 s VAL 51 Cb -0.12 -4.18 0.18 0.00 0.00 0.00 0.00 36.38 32.25 3d31 s VAL 51 CO -0.03 0.45 0.54 -0.81 0.00 0.00 0.00 175.10 175.24 3d31 n PRO 52 N 2.09 -2.75 -0.13 2.72 -0.04 -1.26 -4.98 135.00 130.65 3d31 n PRO 52 Ca -0.03 -0.87 -0.18 0.00 -0.04 0.00 0.00 63.50 62.37 3d31 n PRO 52 Cb 0.49 -0.94 -0.11 0.00 -0.04 0.00 0.00 33.50 32.90 3d31 n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d31 n ASP 53 N -4.22 2.04 -3.86 3.54 8.00 0.18 -4.99 116.55 117.24 3d31 n ASP 53 Ca 0.08 -0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 3d31 n ASP 53 Cb 0.32 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 3d31 n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3d31 s SER 54 N -6.50 0.04 0.00 -2.24 1.04 -1.06 -5.06 113.70 99.92 3d31 s SER 54 Ca -0.34 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3d31 s SER 54 Cb 0.09 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3d31 s SER 54 CO 0.57 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.91 3d31 n GLY 55 N 0.94 1.18 3.36 7.32 0.00 -1.22 -2.15 105.19 114.62 3d31 n GLY 55 Ca -0.20 -2.06 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 3d31 n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d31 s ARG 56 N -1.68 1.38 -0.05 1.61 1.81 -0.36 -4.91 118.95 116.75 3d31 s ARG 56 Ca 0.00 -1.68 -0.02 0.00 -1.72 0.00 0.00 55.73 52.31 3d31 s ARG 56 Cb 0.00 -0.84 0.03 0.00 -0.45 0.00 0.00 34.95 33.69 3d31 s ARG 56 CO 0.00 -0.01 0.03 0.42 -0.68 0.00 0.00 175.30 175.06 3d31 s ILE 57 N -3.23 0.11 -0.35 1.52 1.01 -1.26 -1.66 121.20 117.33 3d31 s ILE 57 Ca 0.27 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.22 3d31 s ILE 57 Cb 0.04 -0.32 0.11 0.00 0.01 0.00 0.00 42.46 42.30 3d31 s ILE 57 CO 0.09 0.21 0.10 -0.76 0.00 0.00 0.00 174.94 174.59 3d31 s LEU 58 N 2.04 3.57 -0.14 2.97 1.43 0.14 -0.93 118.68 127.76 3d31 s LEU 58 Ca 0.04 -2.08 -0.17 0.00 -1.03 0.00 0.00 54.13 50.89 3d31 s LEU 58 Cb -0.12 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 3d31 s LEU 58 CO -0.04 -0.37 0.43 -0.76 0.23 0.00 0.00 176.35 175.84 3d31 s LEU 59 N 1.01 4.26 -0.97 1.79 1.43 -0.73 -1.86 118.68 123.61 3d31 s LEU 59 Ca 0.12 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3d31 s LEU 59 Cb -0.19 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3d31 s LEU 59 CO -0.13 0.01 0.00 -0.67 0.23 0.00 0.00 176.35 175.79 3d31 n ASP 60 N 3.73 -5.65 0.00 2.29 -0.08 0.17 -0.22 116.55 116.80 3d31 n ASP 60 Ca -0.08 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 3d31 n ASP 60 Cb 0.52 -3.95 0.00 0.00 2.34 0.00 0.00 41.12 40.02 3d31 n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3d31 n GLY 61 N 0.20 0.66 3.52 0.27 0.00 -1.24 -5.03 105.19 103.57 3d31 n GLY 61 Ca -0.09 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 3d31 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d31 s LYS 62 N -0.76 3.74 -0.46 1.61 -0.14 0.70 -5.03 119.74 119.40 3d31 s LYS 62 Ca 0.00 -0.46 -0.28 0.00 -1.36 0.00 0.00 55.97 53.87 3d31 s LYS 62 Cb 0.00 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.02 3d31 s LYS 62 CO 0.00 0.12 1.74 0.34 -0.76 0.00 0.00 175.35 176.79 3d31 s ASP 63 N 0.73 5.73 0.00 2.83 2.15 -1.26 -1.76 116.67 125.09 3d31 s ASP 63 Ca 0.01 0.80 0.10 0.00 0.43 0.00 0.00 52.55 53.89 3d31 s ASP 63 Cb -0.14 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 3d31 s ASP 63 CO 0.02 -1.93 0.58 1.33 -0.17 0.00 0.00 175.17 175.01 3d31 n VAL 64 N 7.25 0.00 -0.27 1.11 0.24 -0.10 -4.69 118.33 121.87 3d31 n VAL 64 Ca 0.20 -0.37 0.32 0.00 -2.04 0.00 0.00 64.34 62.45 3d31 n VAL 64 Cb 0.49 1.09 0.54 0.00 -1.47 0.00 0.00 33.84 34.49 3d31 n VAL 64 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3d31 h THR 65 N 0.87 0.05 0.00 3.34 1.35 -1.85 0.67 112.91 117.34 3d31 h THR 65 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3d31 h THR 65 Cb 0.32 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 3d31 h THR 65 CO 0.00 0.00 -0.17 0.47 -0.25 0.00 0.00 175.52 175.57 3d31 n ASP 66 N -3.42 2.08 -1.00 5.36 8.00 -1.26 -4.58 116.55 121.71 3d31 n ASP 66 Ca 0.25 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.49 3d31 n ASP 66 Cb 1.52 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 3d31 n ASP 66 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3d31 n LEU 67 N -1.28 0.00 -4.48 0.64 4.77 0.23 -5.14 117.00 111.75 3d31 n LEU 67 Ca 0.16 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 3d31 n LEU 67 Cb 0.66 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 3d31 n LEU 67 CO -0.00 -0.18 -0.49 -0.44 -1.33 0.00 0.00 177.39 174.95 3d31 s SER 68 N -0.74 3.75 0.28 -1.43 0.01 -1.26 -4.98 113.70 109.32 3d31 s SER 68 Ca 0.00 -0.76 -0.03 0.00 1.31 0.00 0.00 55.95 56.47 3d31 s SER 68 Cb 0.00 -0.43 0.58 0.00 0.21 0.00 0.00 66.02 66.38 3d31 s SER 68 CO 0.00 0.11 1.60 -0.65 0.41 0.00 0.00 173.24 174.72 3d31 h PRO 69 N 3.08 0.06 -0.40 12.44 0.11 -1.73 0.44 132.00 145.99 3d31 h PRO 69 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3d31 h PRO 69 Cb 1.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3d31 h PRO 69 CO 0.50 0.04 0.21 0.93 -0.21 0.00 0.00 178.00 179.47 3d31 h GLU 70 N 0.06 0.55 0.00 1.05 3.07 -1.95 -2.61 114.58 114.75 3d31 h GLU 70 Ca 0.50 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 59.10 3d31 h GLU 70 Cb 0.94 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.71 3d31 h GLU 70 CO -0.81 0.42 -1.00 0.87 -1.40 0.00 0.00 179.01 177.09 3d31 h LYS 71 N 0.56 0.00 -0.01 2.33 1.57 -0.63 -3.22 116.57 117.16 3d31 h LYS 71 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3d31 h LYS 71 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3d31 h LYS 71 CO -0.02 0.90 0.03 0.45 -0.57 0.00 0.00 179.45 180.24 3d31 h HIS 72 N 0.00 0.00 -6.33 -1.35 3.86 -0.60 -3.47 115.15 107.27 3d31 h HIS 72 Ca -0.03 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.77 3d31 h HIS 72 Cb 1.74 0.00 0.04 0.00 1.06 0.00 0.00 27.41 30.25 3d31 h HIS 72 CO 0.00 0.00 -0.85 -3.47 0.86 0.00 0.00 177.93 174.47 3d31 n ASP 73 N -3.29 -5.44 -2.16 2.45 -0.08 -1.21 -5.00 116.55 101.82 3d31 n ASP 73 Ca -0.03 -0.90 -0.02 0.00 -1.51 0.00 0.00 54.79 52.34 3d31 n ASP 73 Cb 0.11 -3.00 -0.00 0.00 2.34 0.00 0.00 41.12 40.56 3d31 n ASP 73 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3d31 n ILE 74 N -3.53 0.00 -4.32 5.18 5.41 -1.26 -4.70 119.36 116.14 3d31 n ILE 74 Ca -0.14 -0.14 -0.25 0.00 1.00 0.00 0.00 62.75 63.22 3d31 n ILE 74 Cb 0.60 0.01 -0.17 0.00 -0.71 0.00 0.00 39.64 39.38 3d31 n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3d31 s ALA 75 N -2.05 1.26 -0.08 -1.39 0.00 -0.99 -4.85 121.76 113.66 3d31 s ALA 75 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 3d31 s ALA 75 Cb -0.00 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3d31 s ALA 75 CO 0.00 -0.08 -0.02 0.12 0.00 0.00 0.00 175.76 175.78 3d31 s PHE 76 N 1.05 0.85 -0.34 0.00 5.36 -1.26 -0.82 117.98 122.81 3d31 s PHE 76 Ca -0.07 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 3d31 s PHE 76 Cb -0.15 -0.88 0.11 0.00 -0.34 0.00 0.00 43.02 41.76 3d31 s PHE 76 CO -0.01 -0.36 0.10 0.08 -1.46 0.00 0.00 175.22 173.58 3d31 s VAL 77 N 1.82 1.51 1.04 3.12 1.01 -0.99 -4.95 120.40 122.97 3d31 s VAL 77 Ca 0.04 -1.96 -0.15 0.00 0.00 0.00 0.00 61.98 59.91 3d31 s VAL 77 Cb -0.12 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.24 3d31 s VAL 77 CO -0.05 -0.68 0.38 -1.22 0.00 0.00 0.00 175.10 173.53 3d31 n TYR 78 N 4.41 -1.23 -0.20 5.22 4.02 -1.26 -3.18 117.16 124.94 3d31 n TYR 78 Ca 0.02 0.17 -0.07 0.00 -0.01 0.00 0.00 57.90 58.00 3d31 n TYR 78 Cb 0.41 -1.71 0.03 0.00 -0.02 0.00 0.00 39.34 38.05 3d31 n TYR 78 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 3d31 h GLN 79 N -1.91 0.81 -2.84 -0.72 4.15 -1.84 -3.06 115.11 109.71 3d31 h GLN 79 Ca -0.49 -0.10 -0.79 0.00 0.77 0.00 0.00 58.65 58.04 3d31 h GLN 79 Cb 1.32 -0.16 -0.22 0.00 0.21 0.00 0.00 27.48 28.63 3d31 h GLN 79 CO 0.38 0.64 1.41 0.09 -1.93 0.00 0.00 178.83 179.42 3d31 n ASN 80 N -4.58 6.62 0.00 -0.69 3.02 -1.26 -4.91 115.26 113.46 3d31 n ASN 80 Ca 0.03 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 3d31 n ASN 80 Cb 0.10 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 3d31 n ASN 80 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3d31 n TYR 81 N 1.65 0.00 -1.11 3.10 4.02 -1.16 -4.66 117.16 119.00 3d31 n TYR 81 Ca 0.40 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.95 3d31 n TYR 81 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.60 3d31 n TYR 81 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3d31 n SER 82 N 0.00 4.40 -4.77 7.72 7.64 -1.26 -4.94 113.62 122.41 3d31 n SER 82 Ca 0.00 -2.56 -0.38 0.00 1.01 0.00 0.00 58.87 56.95 3d31 n SER 82 Cb 0.00 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 3d31 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d31 s LEU 83 N 0.80 4.16 -0.45 -3.43 1.43 -1.26 -4.97 118.68 114.96 3d31 s LEU 83 Ca 0.51 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.58 3d31 s LEU 83 Cb 0.13 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.29 3d31 s LEU 83 CO 0.01 -0.66 1.10 -0.36 0.23 0.00 0.00 176.35 176.67 3d31 s PHE 84 N -1.49 2.88 -0.42 0.29 0.40 -1.26 -4.93 117.98 113.45 3d31 s PHE 84 Ca 0.58 0.76 0.20 0.00 -0.60 0.00 0.00 56.93 57.87 3d31 s PHE 84 Cb -0.28 -4.26 0.96 0.00 0.51 0.00 0.00 43.02 39.95 3d31 s PHE 84 CO 0.35 -1.17 1.60 -0.35 0.70 0.00 0.00 175.22 176.36 3d31 n PRO 85 N 7.61 0.14 -1.37 0.24 -0.04 -1.26 -3.03 135.00 137.28 3d31 n PRO 85 Ca 0.11 0.53 -0.26 0.00 -0.04 0.00 0.00 63.50 63.84 3d31 n PRO 85 Cb 0.49 -1.86 0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3d31 n PRO 85 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3d31 n HIS 86 N -2.13 2.76 -3.65 0.54 1.44 -1.26 -4.79 115.22 108.12 3d31 n HIS 86 Ca 0.00 -2.43 -0.05 0.00 -2.01 0.00 0.00 57.72 53.24 3d31 n HIS 86 Cb 0.10 -0.99 -0.07 0.00 0.12 0.00 0.00 29.99 29.16 3d31 n HIS 86 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3d31 s MET 87 N -3.60 0.50 0.64 -1.40 -1.94 -1.17 -5.10 119.30 107.24 3d31 s MET 87 Ca 0.57 1.25 -0.18 0.00 -1.71 0.00 0.00 55.69 55.62 3d31 s MET 87 Cb 0.47 0.55 -0.02 0.00 2.01 0.00 0.00 34.83 37.84 3d31 s MET 87 CO 0.02 -0.21 1.16 0.27 -0.01 0.00 0.00 175.02 176.25 3d31 n ASN 88 N 5.22 1.52 -0.09 3.03 0.23 -1.26 -4.47 115.26 119.44 3d31 n ASN 88 Ca -0.13 0.81 -0.02 0.00 -0.53 0.00 0.00 54.58 54.71 3d31 n ASN 88 Cb 0.51 -1.49 -0.02 0.00 -2.08 0.00 0.00 39.78 36.69 3d31 n ASN 88 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3d31 n VAL 89 N -1.91 -0.15 -0.29 3.53 0.31 -0.58 0.40 118.33 119.63 3d31 n VAL 89 Ca 0.15 0.80 -0.06 0.00 -0.01 0.00 0.00 64.34 65.22 3d31 n VAL 89 Cb 0.48 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 3d31 n VAL 89 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3d31 h LYS 90 N 0.00 -0.12 -1.02 5.55 3.64 -1.29 0.44 116.57 123.78 3d31 h LYS 90 Ca 0.04 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.67 3d31 h LYS 90 Cb 0.09 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.84 3d31 h LYS 90 CO -0.21 -0.08 0.64 0.87 -2.27 0.00 0.00 179.45 178.41 3d31 h LYS 91 N -0.12 0.46 0.79 1.90 1.57 -0.33 0.46 116.57 121.29 3d31 h LYS 91 Ca 0.23 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3d31 h LYS 91 Cb 0.55 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.77 3d31 h LYS 91 CO -0.81 0.30 -0.38 -0.91 -0.57 0.00 0.00 179.45 177.08 3d31 h ASN 92 N 0.47 -0.89 -0.81 0.86 2.35 0.21 -1.82 115.58 115.94 3d31 h ASN 92 Ca 0.59 0.02 0.15 0.00 -0.55 0.00 0.00 56.30 56.50 3d31 h ASN 92 Cb 1.35 0.23 -0.15 0.00 0.05 0.00 0.00 38.32 39.81 3d31 h ASN 92 CO -0.32 -0.57 -0.28 -0.07 -1.65 0.00 0.00 177.43 174.54 3d31 h LEU 93 N -1.17 -1.01 -0.41 1.61 3.38 -0.14 -0.56 115.31 117.00 3d31 h LEU 93 Ca -0.11 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3d31 h LEU 93 Cb 0.82 0.58 -0.09 0.00 0.09 0.00 0.00 40.66 42.07 3d31 h LEU 93 CO 0.18 -0.29 -0.19 -0.33 0.09 0.00 0.00 178.44 177.90 3d31 h GLU 94 N -0.04 -0.10 -0.27 1.13 4.39 -0.94 -3.21 114.58 115.54 3d31 h GLU 94 Ca 0.35 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.08 3d31 h GLU 94 Cb 0.59 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 3d31 h GLU 94 CO -0.84 -0.07 -0.16 0.34 -1.16 0.00 0.00 179.01 177.12 3d31 n PHE 95 N -5.37 -0.12 -0.30 4.33 7.35 -0.22 0.10 117.46 123.24 3d31 n PHE 95 Ca 0.02 0.33 0.13 0.00 -0.76 0.00 0.00 57.45 57.17 3d31 n PHE 95 Cb 0.28 -0.41 0.29 0.00 0.35 0.00 0.00 39.48 39.99 3d31 n PHE 95 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3d31 h GLY 96 N 0.00 1.43 0.12 7.13 0.00 -1.69 -0.13 103.07 109.93 3d31 h GLY 96 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3d31 h GLY 96 CO -0.25 -0.30 -0.06 -0.33 0.00 0.00 0.00 176.54 175.60 3d31 h MET 97 N 0.32 -0.16 -1.33 4.80 2.86 0.51 -2.66 114.93 119.27 3d31 h MET 97 Ca 0.54 0.01 0.40 0.00 -2.06 0.00 0.00 59.70 58.60 3d31 h MET 97 Cb 1.05 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.65 3d31 h MET 97 CO -0.57 -0.11 0.90 0.00 1.06 0.00 0.00 176.91 178.19 3d31 h ARG 98 N -0.16 0.12 -0.49 1.72 3.08 -1.02 0.10 114.38 117.73 3d31 h ARG 98 Ca -0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3d31 h ARG 98 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3d31 h ARG 98 CO 0.03 0.08 -0.02 0.52 -1.07 0.00 0.00 179.97 179.50 3d31 h MET 99 N 0.12 0.87 -0.70 0.04 2.86 -0.82 -3.14 114.93 114.16 3d31 h MET 99 Ca 0.75 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 3d31 h MET 99 Cb 2.48 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 34.06 3d31 h MET 99 CO -0.27 0.92 0.00 1.63 1.06 0.00 0.00 176.91 180.26 3d31 n LYS 100 N -4.31 2.79 -3.07 1.72 5.02 0.15 -5.00 118.16 115.47 3d31 n LYS 100 Ca 0.01 -2.63 -0.10 0.00 -2.02 0.00 0.00 58.31 53.56 3d31 n LYS 100 Cb 0.33 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3d31 n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3d31 n LYS 101 N 1.54 -1.90 -4.43 1.97 4.76 -0.05 -5.05 118.16 114.99 3d31 n LYS 101 Ca 0.24 1.72 -0.22 0.00 -2.87 0.00 0.00 58.31 57.18 3d31 n LYS 101 Cb 0.62 -5.04 -0.10 0.00 -1.84 0.00 0.00 35.03 28.67 3d31 n LYS 101 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3d31 s ILE 102 N -2.65 1.92 -0.18 -0.18 1.01 -1.15 -5.03 121.20 114.93 3d31 s ILE 102 Ca 0.16 -2.22 -0.11 0.00 0.00 0.00 0.00 60.65 58.48 3d31 s ILE 102 Cb -0.04 -2.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 3d31 s ILE 102 CO 0.79 -0.39 -0.26 0.29 0.00 0.00 0.00 174.94 175.36 3d31 n LYS 103 N -0.56 0.43 -1.33 2.79 5.02 -1.26 -4.71 118.16 118.53 3d31 n LYS 103 Ca -0.06 0.18 -0.55 0.00 -2.02 0.00 0.00 58.31 55.86 3d31 n LYS 103 Cb 0.62 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 3d31 n LYS 103 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3d31 n ASP 104 N -3.99 0.85 0.02 4.39 -0.08 -1.26 -4.84 116.55 111.63 3d31 n ASP 104 Ca -0.33 0.53 0.14 0.00 -1.51 0.00 0.00 54.79 53.61 3d31 n ASP 104 Cb 0.69 -0.96 0.53 0.00 2.34 0.00 0.00 41.12 43.72 3d31 n ASP 104 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3d31 n PRO 105 N 7.80 0.05 0.33 -0.67 -0.02 -1.26 -3.36 135.00 137.87 3d31 n PRO 105 Ca 0.55 0.04 -0.15 0.00 -2.02 0.00 0.00 63.50 61.92 3d31 n PRO 105 Cb 0.01 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 3d31 n PRO 105 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3d31 h LYS 106 N 0.00 -0.82 -0.95 -0.52 1.57 -1.99 -0.64 116.57 113.22 3d31 h LYS 106 Ca 0.00 0.06 0.29 0.00 -1.87 0.00 0.00 60.65 59.13 3d31 h LYS 106 Cb 0.55 0.19 -0.16 0.00 0.08 0.00 0.00 32.23 32.88 3d31 h LYS 106 CO 0.00 -0.51 0.25 -0.09 -0.57 0.00 0.00 179.45 178.53 3d31 h ARG 107 N -1.10 0.10 0.15 3.15 9.65 -1.96 0.69 114.38 125.06 3d31 h ARG 107 Ca -0.09 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3d31 h ARG 107 Cb 0.70 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 3d31 h ARG 107 CO 0.14 0.07 -0.07 0.28 2.80 0.00 0.00 179.97 183.19 3d31 h VAL 108 N 0.11 1.01 -0.26 0.20 2.07 -1.61 0.35 116.25 118.11 3d31 h VAL 108 Ca 0.64 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3d31 h VAL 108 Cb 1.42 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3d31 h VAL 108 CO -0.77 0.21 -0.12 -0.07 0.02 0.00 0.00 177.57 176.85 3d31 h LEU 109 N -0.67 0.40 -0.19 2.57 3.38 0.27 0.29 115.31 121.37 3d31 h LEU 109 Ca -0.02 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 3d31 h LEU 109 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d31 h LEU 109 CO 0.03 0.56 -0.53 0.44 0.09 0.00 0.00 178.44 179.03 3d31 h ASP 110 N 0.39 0.80 -0.50 -0.43 3.32 0.31 -2.05 116.42 118.28 3d31 h ASP 110 Ca 0.08 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 3d31 h ASP 110 Cb 0.45 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3d31 h ASP 110 CO 0.03 1.24 0.23 0.74 -1.72 0.00 0.00 179.24 179.76 3d31 h THR 111 N 0.40 1.20 -0.58 0.35 2.02 -0.05 0.11 112.91 116.36 3d31 h THR 111 Ca -0.01 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.66 3d31 h THR 111 Cb 1.15 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3d31 h THR 111 CO 0.11 0.22 0.39 0.00 0.37 0.00 0.00 175.52 176.61 3d31 h ALA 112 N 1.07 1.82 0.18 6.16 0.00 -0.90 -2.57 119.26 125.02 3d31 h ALA 112 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3d31 h ALA 112 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3d31 h ALA 112 CO -0.02 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 179.23 3d31 h ARG 113 N 0.56 -0.23 -1.49 0.00 3.08 -0.77 0.64 114.38 116.17 3d31 h ARG 113 Ca 0.25 0.02 0.47 0.00 0.07 0.00 0.00 59.98 60.78 3d31 h ARG 113 Cb 0.27 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.26 3d31 h ARG 113 CO -0.07 0.18 1.01 -0.44 -1.07 0.00 0.00 179.97 179.58 3d31 h ASP 114 N -0.89 0.15 -0.49 7.04 3.32 -0.61 0.93 116.42 125.88 3d31 h ASP 114 Ca -0.02 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3d31 h ASP 114 Cb 0.51 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3d31 h ASP 114 CO 0.04 -0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.63 3d31 n LEU 115 N -4.43 4.00 -3.92 1.55 4.77 -1.02 -4.98 117.00 112.96 3d31 n LEU 115 Ca 0.38 -2.40 -0.28 0.00 -0.03 0.00 0.00 56.01 53.68 3d31 n LEU 115 Cb 1.58 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 42.22 3d31 n LEU 115 CO 0.29 0.77 -0.02 0.29 -1.33 0.00 0.00 177.39 177.40 3d31 n LYS 116 N 0.65 -4.57 0.00 3.23 5.02 0.32 -4.89 118.16 117.92 3d31 n LYS 116 Ca 0.21 0.53 0.06 0.00 -2.02 0.00 0.00 58.31 57.09 3d31 n LYS 116 Cb 0.74 -5.17 0.01 0.00 -0.02 0.00 0.00 35.03 30.59 3d31 n LYS 116 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3d31 n ILE 117 N -4.49 0.00 -0.32 -0.18 5.41 0.20 -4.70 119.36 115.29 3d31 n ILE 117 Ca -0.10 -0.41 0.13 0.00 1.00 0.00 0.00 62.75 63.36 3d31 n ILE 117 Cb 0.59 1.18 0.25 0.00 -0.71 0.00 0.00 39.64 40.95 3d31 n ILE 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3d31 n GLU 118 N 0.07 -0.07 0.16 0.38 1.02 -1.20 0.36 120.64 121.36 3d31 n GLU 118 Ca 0.06 1.38 0.13 0.00 -0.02 0.00 0.00 57.16 58.70 3d31 n GLU 118 Cb 0.28 -2.17 0.57 0.00 -0.02 0.00 0.00 31.44 30.10 3d31 n GLU 118 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 3d31 h HIS 119 N 0.00 0.00 0.00 -0.32 2.07 -1.93 -2.85 115.15 112.11 3d31 h HIS 119 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 3d31 h HIS 119 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 3d31 h HIS 119 CO -0.49 0.00 -1.15 1.28 -3.07 0.00 0.00 177.93 174.50 3d31 n LEU 120 N -2.37 0.36 -0.36 6.12 4.77 0.16 -4.68 117.00 121.00 3d31 n LEU 120 Ca 0.01 -0.26 0.30 0.00 -0.03 0.00 0.00 56.01 56.02 3d31 n LEU 120 Cb 0.18 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.73 3d31 n LEU 120 CO 0.18 0.09 0.95 -0.11 -1.33 0.00 0.00 177.39 177.17 3d31 n LEU 121 N -1.66 0.00 -0.08 2.23 7.94 -0.68 0.20 117.00 124.95 3d31 n LEU 121 Ca 0.00 0.61 -0.06 0.00 -1.11 0.00 0.00 56.01 55.46 3d31 n LEU 121 Cb 0.30 -0.28 -0.16 0.00 0.53 0.00 0.00 43.42 43.82 3d31 n LEU 121 CO 0.30 -0.61 -1.05 -0.67 -1.11 0.00 0.00 177.39 174.25 3d31 n ASP 122 N -3.04 0.04 -4.61 1.96 2.03 -1.26 -0.84 116.55 110.83 3d31 n ASP 122 Ca 0.25 0.02 -0.30 0.00 0.52 0.00 0.00 54.79 55.28 3d31 n ASP 122 Cb 1.25 1.14 0.19 0.00 -0.72 0.00 0.00 41.12 42.98 3d31 n ASP 122 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3d31 s ARG 123 N -2.69 0.29 -0.26 -0.67 0.52 0.13 -4.56 118.95 111.71 3d31 s ARG 123 Ca -0.09 1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 56.05 3d31 s ARG 123 Cb 0.08 -1.68 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 3d31 s ARG 123 CO 0.84 -2.97 0.22 -0.80 0.02 0.00 0.00 175.30 172.61 3d31 s ASN 124 N -2.83 6.12 0.01 0.23 0.01 -1.26 -1.53 114.94 115.69 3d31 s ASN 124 Ca 0.66 0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.94 3d31 s ASN 124 Cb -0.22 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.33 3d31 s ASN 124 CO 0.60 -0.02 0.03 -2.65 -1.51 0.00 0.00 177.10 173.55 3d31 n PRO 125 N 4.74 -0.00 0.12 -0.60 -0.02 -1.26 -0.44 135.00 137.54 3d31 n PRO 125 Ca -0.13 0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.50 3d31 n PRO 125 Cb 0.52 -0.04 0.40 0.00 -0.02 0.00 0.00 33.50 34.36 3d31 n PRO 125 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3d31 h LEU 126 N 0.00 0.00 -0.95 2.45 3.38 -1.94 -3.17 115.31 115.08 3d31 h LEU 126 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d31 h LEU 126 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3d31 h LEU 126 CO -0.01 0.00 -0.13 0.35 0.09 0.00 0.00 178.44 178.74 3d31 n THR 127 N -2.34 0.00 -3.17 0.22 -2.24 0.42 -4.92 114.28 102.25 3d31 n THR 127 Ca 0.05 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 3d31 n THR 127 Cb 0.41 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 3d31 n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3d31 s LEU 128 N -2.21 4.12 0.71 3.22 1.43 -1.20 -5.06 118.68 119.69 3d31 s LEU 128 Ca 0.30 1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 3d31 s LEU 128 Cb 0.20 -3.94 0.08 0.00 0.03 0.00 0.00 46.19 42.56 3d31 s LEU 128 CO 0.42 -0.15 1.01 -0.94 0.23 0.00 0.00 176.35 176.92 3d31 s SER 129 N -2.18 4.62 0.00 2.29 1.04 -1.26 -4.70 113.70 113.51 3d31 s SER 129 Ca 0.51 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3d31 s SER 129 Cb -0.11 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.19 3d31 s SER 129 CO 0.18 -1.70 0.73 0.61 0.98 0.00 0.00 173.24 174.05 3d31 n GLY 130 N -2.92 -2.97 0.28 7.32 0.00 -1.26 0.53 105.19 106.17 3d31 n GLY 130 Ca 0.10 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.64 3d31 n GLY 130 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d31 h GLY 131 N 0.00 -0.05 -0.33 -0.02 0.00 -1.97 0.66 103.07 101.35 3d31 h GLY 131 Ca 0.00 0.30 0.13 0.00 0.00 0.00 0.00 47.33 47.77 3d31 h GLY 131 CO 0.00 -0.20 -0.16 0.83 0.00 0.00 0.00 176.54 177.01 3d31 h GLU 132 N -0.19 0.01 0.31 4.80 5.08 -1.66 0.82 114.58 123.74 3d31 h GLU 132 Ca 0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3d31 h GLU 132 Cb 0.47 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3d31 h GLU 132 CO -0.47 0.00 -0.15 1.96 -1.00 0.00 0.00 179.01 179.36 3d31 h GLN 133 N 0.01 -0.40 -0.98 2.33 4.20 0.18 -2.17 115.11 118.28 3d31 h GLN 133 Ca 0.32 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.30 3d31 h GLN 133 Cb 0.50 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.25 3d31 h GLN 133 CO -0.68 -0.14 0.56 0.37 -0.67 0.00 0.00 178.83 178.27 3d31 h GLN 134 N -0.61 0.55 0.67 1.46 4.15 0.26 0.39 115.11 121.97 3d31 h GLN 134 Ca -0.04 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 3d31 h GLN 134 Cb 0.44 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.01 3d31 h GLN 134 CO 0.07 0.36 -0.32 0.00 -1.93 0.00 0.00 178.83 177.01 3d31 h ARG 135 N 0.56 -0.87 -0.98 1.69 2.47 0.62 0.06 114.38 117.93 3d31 h ARG 135 Ca 0.62 0.06 0.26 0.00 -1.26 0.00 0.00 59.98 59.66 3d31 h ARG 135 Cb 1.16 0.20 -0.13 0.00 -1.65 0.00 0.00 29.97 29.55 3d31 h ARG 135 CO -0.48 -0.54 0.55 0.28 0.56 0.00 0.00 179.97 180.34 3d31 h VAL 136 N -1.12 0.47 0.27 2.04 2.07 -0.63 1.07 116.25 120.43 3d31 h VAL 136 Ca -0.09 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3d31 h VAL 136 Cb 0.73 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3d31 h VAL 136 CO 0.15 0.09 -0.18 0.00 0.02 0.00 0.00 177.57 177.65 3d31 h ALA 137 N 1.76 -1.01 -0.95 1.67 0.00 0.16 -1.70 119.26 119.19 3d31 h ALA 137 Ca 0.65 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.70 3d31 h ALA 137 Cb 1.30 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 3d31 h ALA 137 CO -0.52 -1.00 0.63 -0.07 0.00 0.00 0.00 179.25 178.29 3d31 h LEU 138 N -0.43 0.41 0.09 0.00 3.38 0.68 0.24 115.31 119.67 3d31 h LEU 138 Ca -0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d31 h LEU 138 Cb 0.35 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3d31 h LEU 138 CO 0.03 0.14 -0.08 0.00 0.09 0.00 0.00 178.44 178.62 3d31 h ALA 139 N 1.60 -0.83 0.00 1.53 0.00 0.16 0.11 119.26 121.84 3d31 h ALA 139 Ca 0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 3d31 h ALA 139 Cb 1.29 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3d31 h ALA 139 CO -0.21 -0.83 -0.23 0.07 0.00 0.00 0.00 179.25 178.06 3d31 h ARG 140 N -0.17 0.00 0.00 0.00 0.11 -0.84 -1.51 114.38 111.97 3d31 h ARG 140 Ca -0.01 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 3d31 h ARG 140 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 3d31 h ARG 140 CO -0.01 0.23 -0.28 0.00 0.10 0.00 0.00 179.97 180.01 3d31 h ALA 141 N 1.77 1.30 -0.29 0.08 0.00 -0.82 -3.09 119.26 118.22 3d31 h ALA 141 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3d31 h ALA 141 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3d31 h ALA 141 CO 0.03 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.91 3d31 n LEU 142 N -3.86 4.02 0.06 0.00 4.77 0.01 -4.52 117.00 117.48 3d31 n LEU 142 Ca -0.02 -2.99 -0.14 0.00 -0.03 0.00 0.00 56.01 52.83 3d31 n LEU 142 Cb 0.36 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 3d31 n LEU 142 CO 0.36 0.67 -0.23 0.58 -1.33 0.00 0.00 177.39 177.44 3d31 h VAL 143 N 1.98 1.27 0.00 4.08 2.07 -1.35 -3.09 116.25 121.21 3d31 h VAL 143 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.58 3d31 h VAL 143 Cb 1.47 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 3d31 h VAL 143 CO 0.24 0.82 0.00 0.41 0.02 0.00 0.00 177.57 179.06 3d31 n THR 144 N -3.40 0.27 -3.64 2.57 -1.04 -1.26 -4.90 114.28 102.89 3d31 n THR 144 Ca -0.12 0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.76 3d31 n THR 144 Cb 1.02 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 3d31 n THR 144 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3d31 n ASN 145 N -1.14 -5.49 -3.38 8.00 2.85 -1.17 -5.00 115.26 109.93 3d31 n ASN 145 Ca 0.10 -0.78 -0.16 0.00 -0.11 0.00 0.00 54.58 53.62 3d31 n ASN 145 Cb 0.09 -2.53 0.10 0.00 1.24 0.00 0.00 39.78 38.68 3d31 n ASN 145 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3d31 n PRO 146 N -2.57 -0.34 -0.08 1.20 -0.02 -1.26 -5.01 135.00 126.92 3d31 n PRO 146 Ca -0.24 -1.48 -0.09 0.00 -2.02 0.00 0.00 63.50 59.67 3d31 n PRO 146 Cb 0.64 -0.64 -0.11 0.00 -0.02 0.00 0.00 33.50 33.38 3d31 n PRO 146 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3d31 n LYS 147 N -2.46 1.17 -3.20 -0.52 5.02 -1.26 -4.94 118.16 111.97 3d31 n LYS 147 Ca 0.10 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 56.02 3d31 n LYS 147 Cb 0.36 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 3d31 n LYS 147 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d31 s ILE 148 N -2.37 5.01 -0.36 -0.18 1.01 -1.26 -0.94 121.20 122.11 3d31 s ILE 148 Ca -0.14 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 3d31 s ILE 148 Cb 0.05 -3.92 0.08 0.00 0.01 0.00 0.00 42.46 38.68 3d31 s ILE 148 CO 0.55 -0.08 0.12 -0.22 0.00 0.00 0.00 174.94 175.31 3d31 s LEU 149 N 2.43 4.67 -0.26 2.97 2.96 -0.75 -2.34 118.68 128.37 3d31 s LEU 149 Ca 0.22 -1.67 -0.20 0.00 -0.22 0.00 0.00 54.13 52.26 3d31 s LEU 149 Cb -0.15 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3d31 s LEU 149 CO 0.11 -0.42 0.62 -0.76 -1.32 0.00 0.00 176.35 174.59 3d31 s LEU 150 N 1.21 4.07 0.07 -0.68 1.43 0.00 -2.14 118.68 122.65 3d31 s LEU 150 Ca 0.03 0.65 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 3d31 s LEU 150 Cb -0.21 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3d31 s LEU 150 CO -0.02 -0.39 -0.22 -0.76 0.23 0.00 0.00 176.35 175.19 3d31 s LEU 151 N 2.52 2.23 -0.04 1.79 1.43 -0.75 -2.33 118.68 123.53 3d31 s LEU 151 Ca 0.26 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3d31 s LEU 151 Cb -0.15 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.10 3d31 s LEU 151 CO 0.09 0.13 -0.08 1.51 0.23 0.00 0.00 176.35 178.23 3d31 s ASP 152 N -1.53 1.17 -0.93 2.29 -4.77 -1.19 -2.77 116.67 108.95 3d31 s ASP 152 Ca 0.08 -0.18 -0.13 0.00 -3.30 0.00 0.00 52.55 49.02 3d31 s ASP 152 Cb -0.09 -0.44 0.02 0.00 -1.09 0.00 0.00 42.92 41.31 3d31 s ASP 152 CO 0.03 0.02 0.25 -0.62 0.70 0.00 0.00 175.17 175.55 3d31 n GLU 153 N 3.63 -0.69 0.21 2.11 -0.58 -0.63 -3.52 120.64 121.16 3d31 n GLU 153 Ca -0.22 -0.05 0.14 0.00 -0.42 0.00 0.00 57.16 56.62 3d31 n GLU 153 Cb 0.53 -1.83 0.45 0.00 -0.57 0.00 0.00 31.44 30.02 3d31 n GLU 153 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3d31 h PRO 154 N -0.84 0.00 0.00 3.49 0.11 -1.90 -3.41 132.00 129.45 3d31 h PRO 154 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d31 h PRO 154 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3d31 h PRO 154 CO 0.41 0.00 -0.37 1.28 -0.21 0.00 0.00 178.00 179.11 3d31 n LEU 155 N -2.85 1.06 0.00 2.35 4.77 -1.26 -4.75 117.00 116.32 3d31 n LEU 155 Ca 0.03 0.17 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 3d31 n LEU 155 Cb 0.38 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 41.23 3d31 n LEU 155 CO 0.29 -0.49 0.99 -1.54 -1.33 0.00 0.00 177.39 175.31 3d31 n SER 156 N -3.53 0.00 -2.16 -1.43 3.41 -1.26 -1.51 113.62 107.13 3d31 n SER 156 Ca -0.05 0.56 -0.24 0.00 -0.26 0.00 0.00 58.87 58.88 3d31 n SER 156 Cb 0.19 -0.13 0.17 0.00 -0.26 0.00 0.00 64.21 64.18 3d31 n SER 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d31 n ALA 157 N -1.81 5.62 -2.47 7.33 0.00 -1.26 -4.98 120.51 122.93 3d31 n ALA 157 Ca 0.12 -3.01 -0.23 0.00 0.00 0.00 0.00 53.44 50.32 3d31 n ALA 157 Cb 1.14 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 3d31 n ALA 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d31 s LEU 158 N -3.38 2.56 0.25 0.00 1.43 -0.57 -5.10 118.68 113.87 3d31 s LEU 158 Ca 0.57 -1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 3d31 s LEU 158 Cb 0.48 -0.75 -0.10 0.00 0.03 0.00 0.00 46.19 45.85 3d31 s LEU 158 CO 0.08 -0.32 1.34 -1.81 0.23 0.00 0.00 176.35 175.87 3d31 s ASP 159 N -3.51 6.81 0.47 2.29 1.01 -1.26 -4.84 116.67 117.65 3d31 s ASP 159 Ca 0.31 2.55 0.30 0.00 0.71 0.00 0.00 52.55 56.41 3d31 s ASP 159 Cb 0.04 -2.62 1.38 0.00 1.01 0.00 0.00 42.92 42.72 3d31 s ASP 159 CO 0.14 -0.56 1.74 -0.65 0.21 0.00 0.00 175.17 176.05 3d31 h PRO 160 N 4.71 0.15 -0.62 8.23 0.11 -1.98 0.36 132.00 142.97 3d31 h PRO 160 Ca -0.46 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.82 3d31 h PRO 160 Cb 1.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3d31 h PRO 160 CO 0.74 0.10 0.55 0.00 -0.21 0.00 0.00 178.00 179.18 3d31 h ARG 161 N 0.16 0.00 0.00 1.05 3.08 -2.04 -1.68 114.38 114.95 3d31 h ARG 161 Ca 0.65 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.33 3d31 h ARG 161 Cb 2.15 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 32.13 3d31 h ARG 161 CO -0.19 0.00 -2.37 0.25 -1.07 0.00 0.00 179.97 176.59 3d31 n THR 162 N -3.94 1.37 -0.27 2.04 -2.24 0.12 -4.56 114.28 106.81 3d31 n THR 162 Ca 0.12 -0.83 -0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3d31 n THR 162 Cb 0.78 -0.51 0.07 0.00 -2.10 0.00 0.00 70.33 68.57 3d31 n THR 162 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3d31 h GLN 163 N 0.00 -0.04 0.15 -0.78 4.20 -1.02 0.99 115.11 118.60 3d31 h GLN 163 Ca -0.54 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.18 3d31 h GLN 163 Cb 2.22 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.97 3d31 h GLN 163 CO 0.02 -0.03 -0.45 1.49 -0.67 0.00 0.00 178.83 179.19 3d31 h GLU 164 N -0.04 -0.65 -0.02 1.46 4.81 -1.80 0.14 114.58 118.48 3d31 h GLU 164 Ca 0.34 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 3d31 h GLU 164 Cb 0.57 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 3d31 h GLU 164 CO -0.80 -0.43 -0.19 -0.91 -0.73 0.00 0.00 179.01 175.95 3d31 h ASN 165 N -0.67 -0.56 -0.91 1.04 2.35 -1.54 -2.43 115.58 112.86 3d31 h ASN 165 Ca -0.01 0.08 0.14 0.00 -0.55 0.00 0.00 56.30 55.96 3d31 h ASN 165 Cb 0.66 0.24 -0.15 0.00 0.05 0.00 0.00 38.32 39.12 3d31 h ASN 165 CO -0.22 -0.25 -0.38 0.00 -1.65 0.00 0.00 177.43 174.93 3d31 h ALA 166 N 0.62 0.12 -0.62 -0.83 0.00 0.14 0.47 119.26 119.16 3d31 h ALA 166 Ca 0.06 0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.33 3d31 h ALA 166 Cb 0.38 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3d31 h ALA 166 CO -0.19 -0.63 0.23 0.00 0.00 0.00 0.00 179.25 178.66 3d31 h ARG 167 N -0.04 0.40 0.38 0.00 3.08 -0.26 -2.33 114.38 115.61 3d31 h ARG 167 Ca 0.32 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3d31 h ARG 167 Cb 0.59 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3d31 h ARG 167 CO -0.92 0.26 -0.23 1.49 -1.07 0.00 0.00 179.97 179.50 3d31 h GLU 168 N 0.41 -0.55 -0.50 0.04 4.81 0.18 -0.17 114.58 118.81 3d31 h GLU 168 Ca 0.32 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.69 3d31 h GLU 168 Cb 0.40 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 3d31 h GLU 168 CO -0.32 -0.37 -0.09 -0.12 -0.73 0.00 0.00 179.01 177.38 3d31 n MET 169 N -3.72 -0.04 0.19 1.92 1.56 -0.13 0.40 117.12 117.30 3d31 n MET 169 Ca -0.07 0.77 -0.12 0.00 -0.27 0.00 0.00 57.70 58.00 3d31 n MET 169 Cb 0.24 -1.16 -0.07 0.00 2.15 0.00 0.00 33.22 34.37 3d31 n MET 169 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3d31 h LEU 170 N 0.00 -0.44 -0.71 -0.89 3.38 -1.23 -1.69 115.31 113.73 3d31 h LEU 170 Ca 0.25 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.25 3d31 h LEU 170 Cb 0.42 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 3d31 h LEU 170 CO -0.50 -0.03 0.09 -1.28 0.09 0.00 0.00 178.44 176.81 3d31 h SER 171 N -0.95 -0.15 0.33 -0.43 0.87 0.19 0.25 113.55 113.67 3d31 h SER 171 Ca -0.05 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3d31 h SER 171 Cb 0.54 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 3d31 h SER 171 CO 0.09 -0.09 -0.44 0.58 -0.53 0.00 0.00 176.83 176.44 3d31 h VAL 172 N 0.19 0.13 -0.70 2.23 2.07 -0.38 -1.83 116.25 117.96 3d31 h VAL 172 Ca 0.39 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.02 3d31 h VAL 172 Cb 0.67 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3d31 h VAL 172 CO -0.55 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.43 3d31 h LEU 173 N -0.82 0.47 -0.61 2.57 3.38 -0.24 -0.91 115.31 119.16 3d31 h LEU 173 Ca -0.02 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.08 3d31 h LEU 173 Cb 0.75 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 3d31 h LEU 173 CO -0.12 0.28 0.06 -0.74 0.09 0.00 0.00 178.44 178.00 3d31 h HIS 174 N 0.52 0.07 0.00 1.13 2.76 0.31 -2.65 115.15 117.29 3d31 h HIS 174 Ca 0.33 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3d31 h HIS 174 Cb 0.57 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3d31 h HIS 174 CO -0.00 -0.11 -0.00 0.87 -1.30 0.00 0.00 177.93 177.39 3d31 h LYS 175 N 0.18 0.00 0.00 5.26 1.79 -1.03 0.23 116.57 122.99 3d31 h LYS 175 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 3d31 h LYS 175 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3d31 h LYS 175 CO -0.47 0.00 0.18 1.63 -1.08 0.00 0.00 179.45 179.71 3d31 n LYS 176 N -2.13 0.00 0.00 3.15 5.02 -0.45 0.27 118.16 124.01 3d31 n LYS 176 Ca -0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3d31 n LYS 176 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3d31 n LYS 176 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3d31 n ASN 177 N -0.94 0.16 -3.61 4.39 3.02 -1.00 -5.01 115.26 112.27 3d31 n ASN 177 Ca 0.00 -0.50 -0.21 0.00 -0.03 0.00 0.00 54.58 53.85 3d31 n ASN 177 Cb 0.18 0.51 0.06 0.00 -0.61 0.00 0.00 39.78 39.92 3d31 n ASN 177 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3d31 n LYS 178 N -0.51 -5.94 -2.45 3.52 4.76 0.75 -4.93 118.16 113.35 3d31 n LYS 178 Ca 0.00 0.73 -0.32 0.00 -2.87 0.00 0.00 58.31 55.84 3d31 n LYS 178 Cb 0.02 -5.54 -0.04 0.00 -1.84 0.00 0.00 35.03 27.63 3d31 n LYS 178 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d31 s LEU 179 N -6.69 3.68 -0.39 -0.35 1.43 0.77 -4.52 118.68 112.61 3d31 s LEU 179 Ca 0.13 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.84 3d31 s LEU 179 Cb -0.06 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 41.75 3d31 s LEU 179 CO 0.77 -0.60 0.17 -0.89 0.23 0.00 0.00 176.35 176.03 3d31 s THR 180 N -2.50 3.09 -0.16 5.49 2.01 -0.11 -3.65 115.64 119.80 3d31 s THR 180 Ca 0.60 -2.09 -0.10 0.00 0.31 0.00 0.00 61.69 60.41 3d31 s THR 180 Cb -0.11 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 3d31 s THR 180 CO 0.28 -0.66 0.17 -0.69 -0.69 0.00 0.00 174.62 173.03 3d31 s VAL 181 N 1.10 5.40 -0.39 3.82 1.01 -0.98 -1.80 120.40 128.56 3d31 s VAL 181 Ca 0.08 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 3d31 s VAL 181 Cb -0.22 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.75 3d31 s VAL 181 CO -0.05 0.49 0.18 -0.22 0.00 0.00 0.00 175.10 175.50 3d31 s LEU 182 N -0.09 4.87 -0.28 3.92 2.96 -0.91 0.20 118.68 129.35 3d31 s LEU 182 Ca 0.12 -1.57 -0.08 0.00 -0.22 0.00 0.00 54.13 52.38 3d31 s LEU 182 Cb -0.12 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3d31 s LEU 182 CO 0.01 -0.47 0.09 -2.28 -1.32 0.00 0.00 176.35 172.39 3d31 s HIS 183 N 1.31 3.12 -0.24 5.38 5.65 0.11 -1.81 115.29 128.82 3d31 s HIS 183 Ca 0.03 -0.64 -0.06 0.00 0.25 0.00 0.00 55.06 54.63 3d31 s HIS 183 Cb -0.22 -2.27 -0.02 0.00 -1.18 0.00 0.00 32.58 28.89 3d31 s HIS 183 CO -0.00 -0.45 0.03 0.42 -0.65 0.00 0.00 174.74 174.09 3d31 s ILE 184 N 1.58 4.03 0.16 0.89 1.01 -1.11 0.06 121.20 127.81 3d31 s ILE 184 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3d31 s ILE 184 Cb -0.16 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3d31 s ILE 184 CO 0.04 0.37 0.17 -0.89 0.00 0.00 0.00 174.94 174.62 3d31 s THR 185 N 1.54 0.07 -1.05 2.92 2.01 -0.79 -1.61 115.64 118.72 3d31 s THR 185 Ca 0.06 -1.73 0.09 0.00 0.31 0.00 0.00 61.69 60.43 3d31 s THR 185 Cb -0.15 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.34 3d31 s THR 185 CO 0.02 -0.30 0.72 0.00 -0.69 0.00 0.00 174.62 174.36 3d31 n HIS 186 N -0.18 0.00 -3.22 4.92 1.44 -1.26 -2.93 115.22 113.99 3d31 n HIS 186 Ca -0.05 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.23 3d31 n HIS 186 Cb 0.64 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.68 3d31 n HIS 186 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3d31 s ASP 187 N -0.99 6.22 0.34 4.39 -1.08 -1.26 -4.79 116.67 119.49 3d31 s ASP 187 Ca 0.10 -0.81 0.07 0.00 -0.52 0.00 0.00 52.55 51.39 3d31 s ASP 187 Cb 0.08 -2.27 0.60 0.00 -1.46 0.00 0.00 42.92 39.87 3d31 s ASP 187 CO 0.16 -0.77 1.81 0.06 0.52 0.00 0.00 175.17 176.96 3d31 h GLN 188 N 8.88 0.29 -0.52 4.34 3.07 -1.98 -0.37 115.11 128.82 3d31 h GLN 188 Ca -0.27 -0.09 -0.08 0.00 0.09 0.00 0.00 58.65 58.29 3d31 h GLN 188 Cb 1.10 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.61 3d31 h GLN 188 CO 0.90 0.52 -0.01 1.15 0.09 0.00 0.00 178.83 181.48 3d31 h THR 189 N 0.26 1.25 -0.01 1.86 2.02 -1.99 0.16 112.91 116.46 3d31 h THR 189 Ca 0.04 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 3d31 h THR 189 Cb 0.57 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3d31 h THR 189 CO 0.04 0.38 -0.00 -0.33 0.37 0.00 0.00 175.52 175.98 3d31 h GLU 190 N 0.82 0.02 -0.43 6.66 4.39 -1.86 -2.65 114.58 121.52 3d31 h GLU 190 Ca 0.15 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.91 3d31 h GLU 190 Cb 0.50 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 3d31 h GLU 190 CO 0.02 0.41 -0.47 0.00 -1.16 0.00 0.00 179.01 177.81 3d31 h ALA 191 N 0.61 -0.53 -0.89 3.43 0.00 -0.65 -2.25 119.26 118.98 3d31 h ALA 191 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d31 h ALA 191 Cb 0.40 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3d31 h ALA 191 CO 0.00 -0.92 0.00 0.54 0.00 0.00 0.00 179.25 178.87 3d31 n ARG 192 N -5.40 0.00 -0.54 0.00 1.74 0.52 -0.99 116.66 111.98 3d31 n ARG 192 Ca -0.01 0.59 0.41 0.00 -0.77 0.00 0.00 57.85 58.07 3d31 n ARG 192 Cb 0.35 -1.35 0.64 0.00 -1.02 0.00 0.00 32.46 31.08 3d31 n ARG 192 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3d31 n ILE 193 N -1.96 -0.02 -0.16 0.55 5.41 -1.00 -1.98 119.36 120.19 3d31 n ILE 193 Ca 0.00 1.21 0.00 0.00 1.00 0.00 0.00 62.75 64.96 3d31 n ILE 193 Cb 0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 3d31 n ILE 193 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 3d31 n MET 194 N -3.61 -0.19 -2.49 0.38 2.81 -0.87 -5.07 117.12 108.08 3d31 n MET 194 Ca 0.35 -0.37 -0.31 0.00 -1.81 0.00 0.00 57.70 55.56 3d31 n MET 194 Cb 1.56 -0.86 -0.03 0.00 -0.71 0.00 0.00 33.22 33.18 3d31 n MET 194 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d31 s ALA 195 N -0.08 3.18 -0.02 3.04 0.00 -0.16 -4.88 121.76 122.84 3d31 s ALA 195 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.06 3d31 s ALA 195 Cb 0.00 -2.96 -0.17 0.00 0.00 0.00 0.00 23.12 19.99 3d31 s ALA 195 CO 0.00 -0.22 0.24 -0.25 0.00 0.00 0.00 175.76 175.52 3d31 n ASP 196 N -1.67 2.46 -3.56 0.00 9.92 -0.31 -4.83 116.55 118.57 3d31 n ASP 196 Ca 0.05 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.19 3d31 n ASP 196 Cb 0.54 1.48 -0.05 0.00 -0.64 0.00 0.00 41.12 42.45 3d31 n ASP 196 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3d31 s ARG 197 N -2.75 0.70 0.04 -1.24 0.52 -1.24 -4.35 118.95 110.62 3d31 s ARG 197 Ca -0.04 0.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.42 3d31 s ARG 197 Cb 0.07 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.84 3d31 s ARG 197 CO 0.46 -0.22 -0.24 0.42 0.02 0.00 0.00 175.30 175.75 3d31 s ILE 198 N -1.14 2.36 -0.32 1.52 -1.09 -0.76 -0.27 121.20 121.50 3d31 s ILE 198 Ca -0.04 -1.28 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 3d31 s ILE 198 Cb -0.00 -1.93 0.10 0.00 -1.58 0.00 0.00 42.46 39.04 3d31 s ILE 198 CO 0.03 0.38 0.06 0.00 -1.23 0.00 0.00 174.94 174.19 3d31 s ALA 199 N -0.82 2.18 -0.22 9.38 0.00 0.11 -1.50 121.76 130.90 3d31 s ALA 199 Ca 0.12 -2.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.76 3d31 s ALA 199 Cb -0.10 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 3d31 s ALA 199 CO 0.03 -1.64 1.19 0.08 0.00 0.00 0.00 175.76 175.42 3d31 s VAL 200 N 1.28 4.39 -0.20 0.00 1.01 -0.08 -1.04 120.40 125.76 3d31 s VAL 200 Ca 0.09 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.73 3d31 s VAL 200 Cb -0.18 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.10 3d31 s VAL 200 CO -0.16 -0.23 -0.07 -0.69 0.00 0.00 0.00 175.10 173.95 3d31 s VAL 201 N 3.57 1.38 -0.17 2.92 1.01 -0.13 1.00 120.40 129.98 3d31 s VAL 201 Ca 0.51 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3d31 s VAL 201 Cb -0.18 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3d31 s VAL 201 CO 0.14 0.07 -0.10 -0.04 0.00 0.00 0.00 175.10 175.16 3d31 s MET 202 N 1.50 3.36 -1.25 2.72 -1.94 -0.47 -2.70 119.30 120.53 3d31 s MET 202 Ca -0.02 -0.67 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 3d31 s MET 202 Cb -0.17 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 3d31 s MET 202 CO -0.07 0.03 0.72 -3.47 -0.01 0.00 0.00 175.02 172.21 3d31 n ASP 203 N 4.09 -2.59 -3.84 3.03 2.03 -1.26 -2.32 116.55 115.69 3d31 n ASP 203 Ca -0.18 -0.87 -0.27 0.00 0.52 0.00 0.00 54.79 53.99 3d31 n ASP 203 Cb 0.52 -3.95 0.01 0.00 -0.72 0.00 0.00 41.12 36.97 3d31 n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d31 n GLY 204 N -1.59 -0.45 3.05 0.27 0.00 -1.26 -4.76 105.19 100.45 3d31 n GLY 204 Ca -0.23 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3d31 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d31 s LYS 205 N -6.33 0.18 0.13 1.61 -0.14 -0.98 -3.42 119.74 110.79 3d31 s LYS 205 Ca 0.14 0.78 -0.31 0.00 -1.36 0.00 0.00 55.97 55.22 3d31 s LYS 205 Cb -0.05 0.01 -0.08 0.00 -1.68 0.00 0.00 37.83 36.03 3d31 s LYS 205 CO 0.87 -0.27 1.33 -1.17 -0.76 0.00 0.00 175.35 175.35 3d31 s LEU 206 N 2.36 4.38 -0.04 3.17 2.96 -1.26 -1.37 118.68 128.89 3d31 s LEU 206 Ca 0.00 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.21 3d31 s LEU 206 Cb -0.12 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 3d31 s LEU 206 CO -0.09 -0.58 -0.03 -0.38 -1.32 0.00 0.00 176.35 173.94 3d31 n ILE 207 N 3.57 0.24 -3.83 6.68 5.41 0.28 -4.95 119.36 126.76 3d31 n ILE 207 Ca 0.09 -0.10 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3d31 n ILE 207 Cb 0.43 -0.67 -0.06 0.00 -0.71 0.00 0.00 39.64 38.63 3d31 n ILE 207 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3d31 s GLN 208 N -2.08 1.19 -0.15 0.38 0.74 -1.19 -5.00 119.66 113.55 3d31 s GLN 208 Ca -0.05 -0.98 -0.18 0.00 0.05 0.00 0.00 55.36 54.20 3d31 s GLN 208 Cb 0.01 0.44 0.05 0.00 1.10 0.00 0.00 33.01 34.61 3d31 s GLN 208 CO 0.10 -0.46 0.49 0.08 -0.55 0.00 0.00 175.29 174.94 3d31 s VAL 209 N -3.90 0.01 0.00 1.34 1.01 -1.26 -0.90 120.40 116.70 3d31 s VAL 209 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3d31 s VAL 209 Cb 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3d31 s VAL 209 CO -0.04 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3d31 n GLY 210 N 2.42 3.52 3.36 4.51 0.00 -0.56 -4.97 105.19 113.46 3d31 n GLY 210 Ca -0.15 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 3d31 n GLY 210 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d31 n LYS 211 N -1.60 0.25 -0.18 1.61 5.02 -1.26 -1.83 118.16 120.17 3d31 n LYS 211 Ca 0.00 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3d31 n LYS 211 Cb 0.00 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 3d31 n LYS 211 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3d31 h PRO 212 N 0.10 -0.11 -0.99 1.97 0.11 -1.88 -0.66 132.00 130.55 3d31 h PRO 212 Ca -0.43 0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.04 3d31 h PRO 212 Cb 1.42 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.39 3d31 h PRO 212 CO 0.44 -0.07 0.43 0.93 -0.21 0.00 0.00 178.00 179.52 3d31 h GLU 213 N -0.11 0.08 0.00 1.05 5.08 -1.99 0.84 114.58 119.53 3d31 h GLU 213 Ca 0.07 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3d31 h GLU 213 Cb 0.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3d31 h GLU 213 CO -0.48 0.05 -0.30 0.93 -1.00 0.00 0.00 179.01 178.22 3d31 h GLU 214 N 0.09 0.00 0.16 2.33 5.08 -1.43 -1.41 114.58 119.39 3d31 h GLU 214 Ca 0.76 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.82 3d31 h GLU 214 Cb 1.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.12 3d31 h GLU 214 CO -0.76 0.30 -1.38 0.82 -1.00 0.00 0.00 179.01 176.99 3d31 h ILE 215 N 0.00 1.36 0.03 3.13 1.08 1.00 -3.18 117.51 120.92 3d31 h ILE 215 Ca -0.00 -2.90 -0.39 0.00 -0.39 0.00 0.00 64.86 61.18 3d31 h ILE 215 Cb 0.65 2.93 -0.06 0.00 -3.07 0.00 0.00 36.82 37.28 3d31 h ILE 215 CO 0.04 0.86 -2.35 0.49 -0.69 0.00 0.00 178.15 176.49 3d31 n PHE 216 N -3.57 0.31 1.84 1.37 3.01 -1.02 -3.50 117.46 115.90 3d31 n PHE 216 Ca -0.13 0.07 0.16 0.00 1.01 0.00 0.00 57.45 58.56 3d31 n PHE 216 Cb 1.05 -1.04 0.86 0.00 -0.01 0.00 0.00 39.48 40.34 3d31 n PHE 216 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3d31 n GLU 217 N -3.39 0.98 -2.87 -1.08 1.02 -0.54 -4.22 120.64 110.54 3d31 n GLU 217 Ca -0.43 -0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 56.47 3d31 n GLU 217 Cb 0.99 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.95 3d31 n GLU 217 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d31 n LYS 218 N -0.91 0.86 -1.07 3.49 5.02 -1.20 -5.01 118.16 119.35 3d31 n LYS 218 Ca 0.22 -2.24 -0.29 0.00 -2.02 0.00 0.00 58.31 53.98 3d31 n LYS 218 Cb 0.16 -1.32 0.21 0.00 -0.02 0.00 0.00 35.03 34.06 3d31 n LYS 218 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3d31 s PRO 219 N -0.12 -0.33 0.27 1.97 0.02 -1.23 -4.56 135.00 131.02 3d31 s PRO 219 Ca 0.30 0.33 0.04 0.00 0.02 0.00 0.00 61.00 61.70 3d31 s PRO 219 Cb 0.25 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 33.08 3d31 s PRO 219 CO -0.15 -3.20 0.41 0.08 -0.33 0.00 0.00 177.00 173.81 3d31 s VAL 220 N -2.92 5.18 0.49 3.83 1.01 -1.26 -4.93 120.40 121.79 3d31 s VAL 220 Ca 0.67 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3d31 s VAL 220 Cb -0.16 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 3d31 s VAL 220 CO 0.58 -0.37 0.23 -1.84 0.00 0.00 0.00 175.10 173.70 3d31 n GLU 221 N -1.50 0.26 0.00 2.72 0.28 -1.26 -2.94 120.64 118.20 3d31 n GLU 221 Ca -0.08 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3d31 n GLU 221 Cb 0.57 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.13 3d31 n GLU 221 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3d31 n GLY 222 N 2.13 0.29 0.45 -1.84 0.00 -1.26 -3.62 105.19 101.34 3d31 n GLY 222 Ca 0.10 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 3d31 n GLY 222 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d31 h ARG 223 N 0.00 -0.40 -0.45 1.61 3.08 -1.99 0.14 114.38 116.37 3d31 h ARG 223 Ca 0.00 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3d31 h ARG 223 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3d31 h ARG 223 CO 0.00 -0.26 0.16 0.28 -1.07 0.00 0.00 179.97 179.07 3d31 h VAL 224 N -0.41 1.22 -0.65 2.04 2.07 -1.66 -1.81 116.25 117.04 3d31 h VAL 224 Ca 0.07 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3d31 h VAL 224 Cb 0.60 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3d31 h VAL 224 CO -0.58 0.25 0.20 0.00 0.02 0.00 0.00 177.57 177.47 3d31 h ALA 225 N 1.01 0.85 -0.62 1.67 0.00 -1.40 -1.93 119.26 118.85 3d31 h ALA 225 Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3d31 h ALA 225 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3d31 h ALA 225 CO -0.01 0.53 0.16 1.03 0.00 0.00 0.00 179.25 180.97 3d31 h SER 226 N 0.94 0.89 0.82 0.00 0.87 -0.60 0.95 113.55 117.42 3d31 h SER 226 Ca 0.21 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3d31 h SER 226 Cb 0.30 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3d31 h SER 226 CO -0.01 0.85 -0.32 0.15 -0.53 0.00 0.00 176.83 176.97 3d31 h PHE 227 N 0.91 0.00 0.00 2.24 3.57 -0.80 -3.35 116.94 119.51 3d31 h PHE 227 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3d31 h PHE 227 Cb 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3d31 h PHE 227 CO 0.02 0.32 0.00 1.33 -2.23 0.00 0.00 178.31 177.76 3d31 n VAL 228 N -3.53 0.17 -1.22 1.41 0.24 -0.77 -5.07 118.33 109.57 3d31 n VAL 228 Ca -0.00 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.34 61.76 3d31 n VAL 228 Cb 0.47 0.98 0.08 0.00 -1.47 0.00 0.00 33.84 33.91 3d31 n VAL 228 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d31 n GLY 229 N -0.09 -1.27 2.16 7.63 0.00 0.33 -4.42 105.19 109.53 3d31 n GLY 229 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 3d31 n GLY 229 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d31 n PHE 230 N -2.59 -0.62 -3.69 1.61 3.01 -1.26 -5.01 117.46 108.91 3d31 n PHE 230 Ca 0.10 0.26 -0.11 0.00 1.01 0.00 0.00 57.45 58.72 3d31 n PHE 230 Cb 0.50 -0.73 -0.10 0.00 -0.01 0.00 0.00 39.48 39.15 3d31 n PHE 230 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3d31 s GLU 231 N -0.89 0.50 -0.39 -1.08 0.41 -1.26 -4.80 118.70 111.19 3d31 s GLU 231 Ca 0.09 0.83 -0.13 0.00 -0.41 0.00 0.00 54.97 55.35 3d31 s GLU 231 Cb -0.01 0.09 0.02 0.00 -1.78 0.00 0.00 34.13 32.45 3d31 s GLU 231 CO 0.20 -0.13 0.26 -0.80 -0.49 0.00 0.00 175.26 174.30 3d31 s ASN 232 N 1.13 5.95 -0.13 -0.19 0.01 -1.05 -4.89 114.94 115.77 3d31 s ASN 232 Ca -0.07 -0.86 -0.00 0.00 -0.71 0.00 0.00 52.86 51.21 3d31 s ASN 232 Cb -0.06 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.52 3d31 s ASN 232 CO -0.10 -0.39 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.34 3d31 s VAL 233 N 1.64 1.05 -0.22 1.60 1.01 -1.26 0.07 120.40 124.29 3d31 s VAL 233 Ca 0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3d31 s VAL 233 Cb -0.19 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3d31 s VAL 233 CO 0.09 0.27 -0.03 -0.76 0.00 0.00 0.00 175.10 174.67 3d31 s LEU 234 N 1.68 2.97 -0.18 3.92 1.43 -0.01 -4.93 118.68 123.56 3d31 s LEU 234 Ca 0.03 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 3d31 s LEU 234 Cb -0.14 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 3d31 s LEU 234 CO -0.08 -0.02 0.99 -1.59 0.23 0.00 0.00 176.35 175.88 3d31 s LYS 235 N 1.50 4.32 0.29 1.70 -2.85 -1.26 -1.97 119.74 121.47 3d31 s LYS 235 Ca 0.06 1.31 0.06 0.00 -1.00 0.00 0.00 55.97 56.40 3d31 s LYS 235 Cb -0.14 -3.60 -0.02 0.00 -2.06 0.00 0.00 37.83 32.00 3d31 s LYS 235 CO -0.02 -0.48 0.26 0.41 0.10 0.00 0.00 175.35 175.62 3d31 n GLY 236 N 3.28 2.99 2.90 0.59 0.00 0.01 -4.70 105.19 110.26 3d31 n GLY 236 Ca 0.10 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 3d31 n GLY 236 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d31 s ARG 237 N -3.17 1.41 -0.05 1.61 3.52 -0.63 -0.11 118.95 121.53 3d31 s ARG 237 Ca 0.35 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 3d31 s ARG 237 Cb 0.02 -1.47 -0.07 0.00 -1.56 0.00 0.00 34.95 31.87 3d31 s ARG 237 CO 0.25 -0.23 1.87 0.08 -0.81 0.00 0.00 175.30 176.45 3d31 s VAL 238 N 1.59 3.25 -0.10 7.11 1.01 -0.70 -1.19 120.40 131.38 3d31 s VAL 238 Ca 0.02 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.39 3d31 s VAL 238 Cb -0.13 -3.22 -0.24 0.00 0.00 0.00 0.00 36.38 32.80 3d31 s VAL 238 CO -0.06 -0.05 0.45 -0.38 0.00 0.00 0.00 175.10 175.06 3d31 n ILE 239 N 5.88 1.60 -3.83 2.22 5.41 0.14 -0.59 119.36 130.19 3d31 n ILE 239 Ca 0.20 -0.77 -0.12 0.00 1.00 0.00 0.00 62.75 63.06 3d31 n ILE 239 Cb 0.42 -1.09 -0.10 0.00 -0.71 0.00 0.00 39.64 38.16 3d31 n ILE 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3d31 s SER 240 N -6.19 -0.08 -0.44 4.38 0.15 -1.08 -4.84 113.70 105.60 3d31 s SER 240 Ca -0.11 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.62 3d31 s SER 240 Cb 0.07 0.28 0.23 0.00 -1.71 0.00 0.00 66.02 64.90 3d31 s SER 240 CO 0.80 -0.32 0.64 0.00 1.20 0.00 0.00 173.24 175.56 3d31 n ALA 241 N 1.75 0.80 -2.58 5.45 0.00 -1.26 -1.15 120.51 123.51 3d31 n ALA 241 Ca -0.20 -2.49 -0.43 0.00 0.00 0.00 0.00 53.44 50.32 3d31 n ALA 241 Cb 0.56 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3d31 n ALA 241 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d31 s GLU 242 N -0.23 3.14 -0.73 0.00 0.41 -1.14 -4.50 118.70 115.66 3d31 s GLU 242 Ca 0.33 -0.72 -0.02 0.00 -0.41 0.00 0.00 54.97 54.15 3d31 s GLU 242 Cb 0.16 -4.00 -0.03 0.00 -1.78 0.00 0.00 34.13 28.48 3d31 s GLU 242 CO -0.16 -1.00 0.62 0.94 -0.49 0.00 0.00 175.26 175.17 3d31 n GLN 243 N 5.91 -2.67 0.00 1.61 -0.06 -1.26 -3.43 117.38 117.48 3d31 n GLN 243 Ca -0.06 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 3d31 n GLN 243 Cb 0.47 -4.49 0.00 0.00 -4.06 0.00 0.00 30.24 22.16 3d31 n GLN 243 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3d31 n GLY 244 N -1.22 1.99 3.59 1.69 0.00 -1.26 -4.94 105.19 105.02 3d31 n GLY 244 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3d31 n GLY 244 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d31 s LEU 245 N 0.00 4.19 0.35 0.99 2.96 -1.22 -1.34 118.68 124.61 3d31 s LEU 245 Ca 0.00 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3d31 s LEU 245 Cb 0.00 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 3d31 s LEU 245 CO 0.00 -0.48 0.58 -0.76 -1.32 0.00 0.00 176.35 174.37 3d31 s LEU 246 N 2.55 3.98 -0.19 -0.68 1.43 -0.20 -2.87 118.68 122.70 3d31 s LEU 246 Ca 0.23 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 3d31 s LEU 246 Cb -0.15 -3.45 0.06 0.00 0.03 0.00 0.00 46.19 42.68 3d31 s LEU 246 CO 0.12 -0.30 0.04 -0.13 0.23 0.00 0.00 176.35 176.31 3d31 s ARG 247 N -4.14 0.60 0.09 1.70 1.81 -0.30 -1.83 118.95 116.88 3d31 s ARG 247 Ca 0.42 -0.37 0.06 0.00 -1.72 0.00 0.00 55.73 54.11 3d31 s ARG 247 Cb -0.10 -2.05 -0.04 0.00 -0.45 0.00 0.00 34.95 32.31 3d31 s ARG 247 CO 0.35 -0.63 -0.04 0.42 -0.68 0.00 0.00 175.30 174.72 3d31 s ILE 248 N 1.89 3.74 -0.14 1.52 1.01 0.47 0.26 121.20 129.96 3d31 s ILE 248 Ca -0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 3d31 s ILE 248 Cb -0.17 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3d31 s ILE 248 CO -0.08 0.14 -0.06 -0.60 0.00 0.00 0.00 174.94 174.33 3d31 s ARG 249 N -2.20 3.50 -0.10 2.79 3.52 -0.33 -0.22 118.95 125.91 3d31 s ARG 249 Ca 0.23 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3d31 s ARG 249 Cb -0.11 -2.81 0.02 0.00 -1.56 0.00 0.00 34.95 30.49 3d31 s ARG 249 CO 0.16 0.29 -0.09 0.08 -0.81 0.00 0.00 175.30 174.93 3d31 s VAL 250 N 0.22 1.03 0.00 7.11 1.01 -0.66 -1.61 120.40 127.50 3d31 s VAL 250 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3d31 s VAL 250 Cb -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3d31 s VAL 250 CO 0.03 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3d31 n GLY 251 N 4.61 1.85 0.52 4.51 0.00 -1.26 -0.45 105.19 114.96 3d31 n GLY 251 Ca -0.16 0.46 0.06 0.00 0.00 0.00 0.00 46.02 46.39 3d31 n GLY 251 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d31 n GLU 252 N 2.23 0.86 -3.82 1.61 1.02 -1.26 -5.03 120.64 116.25 3d31 n GLU 252 Ca 0.00 -1.30 -0.22 0.00 -0.02 0.00 0.00 57.16 55.62 3d31 n GLU 252 Cb 0.00 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 3d31 n GLU 252 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3d31 s VAL 253 N -1.05 2.58 -0.06 2.62 -7.23 0.40 -5.11 120.40 112.55 3d31 s VAL 253 Ca 0.15 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 58.88 3d31 s VAL 253 Cb 0.11 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3d31 s VAL 253 CO 0.16 -0.02 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.00 3d31 s VAL 254 N -2.51 2.01 -0.06 1.32 1.01 -1.26 -1.65 120.40 119.25 3d31 s VAL 254 Ca 0.44 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3d31 s VAL 254 Cb -0.01 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 3d31 s VAL 254 CO 0.25 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 175.07 3d31 s ILE 255 N -0.09 1.76 -0.09 2.22 1.01 0.69 -4.92 121.20 121.79 3d31 s ILE 255 Ca -0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 3d31 s ILE 255 Cb -0.14 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 3d31 s ILE 255 CO 0.04 0.50 0.37 -1.81 0.00 0.00 0.00 174.94 174.04 3d31 s ASP 256 N 0.06 6.64 0.00 3.58 1.11 -1.26 -0.39 116.67 126.41 3d31 s ASP 256 Ca -0.07 0.76 0.00 0.00 0.18 0.00 0.00 52.55 53.41 3d31 s ASP 256 Cb -0.14 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.62 3d31 s ASP 256 CO 0.04 0.18 0.00 0.00 1.18 0.00 0.00 175.17 176.57 3d31 n ALA 257 N 2.82 0.00 -2.76 5.23 0.00 -0.76 -4.56 120.51 120.48 3d31 n ALA 257 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 3d31 n ALA 257 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 3d31 n ALA 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d31 s ALA 258 N -1.17 0.34 0.00 0.00 0.00 -1.26 -1.03 121.76 118.63 3d31 s ALA 258 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3d31 s ALA 258 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3d31 s ALA 258 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3d31 n GLY 259 N 1.23 4.05 3.54 0.00 0.00 -0.45 -4.47 105.19 109.09 3d31 n GLY 259 Ca -0.21 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3d31 n GLY 259 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d31 s ASP 260 N 0.00 6.40 -0.01 1.61 -4.77 -1.26 -4.61 116.67 114.02 3d31 s ASP 260 Ca 0.00 -0.17 -0.18 0.00 -3.30 0.00 0.00 52.55 48.89 3d31 s ASP 260 Cb 0.00 -2.43 0.03 0.00 -1.09 0.00 0.00 42.92 39.43 3d31 s ASP 260 CO 0.00 -1.12 0.39 -0.04 0.70 0.00 0.00 175.17 175.10 3d31 s MET 261 N 3.78 0.78 0.24 2.11 1.00 -1.26 -5.11 119.30 120.85 3d31 s MET 261 Ca 0.32 -0.14 0.02 0.00 0.00 0.00 0.00 55.69 55.90 3d31 s MET 261 Cb -0.12 0.35 -0.03 0.00 0.00 0.00 0.00 34.83 35.03 3d31 s MET 261 CO 0.22 -0.23 0.40 -1.21 0.00 0.00 0.00 175.02 174.19 3d31 s GLU 262 N -1.48 3.47 0.48 2.03 8.01 -1.26 -4.83 118.70 125.11 3d31 s GLU 262 Ca -0.12 -0.54 -0.23 0.00 0.01 0.00 0.00 54.97 54.09 3d31 s GLU 262 Cb -0.03 -2.84 -0.08 0.00 -4.31 0.00 0.00 34.13 26.87 3d31 s GLU 262 CO 0.04 0.38 1.19 0.28 0.01 0.00 0.00 175.26 177.16 3d31 n VAL 263 N -1.18 3.03 -0.59 2.63 0.31 -1.26 -2.21 118.33 119.05 3d31 n VAL 263 Ca -0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3d31 n VAL 263 Cb 0.56 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3d31 n VAL 263 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d31 n GLY 264 N 0.95 0.77 3.65 2.92 0.00 0.25 -4.98 105.19 108.74 3d31 n GLY 264 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3d31 n GLY 264 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d31 s ASP 265 N -2.73 6.83 -0.43 1.61 1.01 -0.94 -4.83 116.67 117.19 3d31 s ASP 265 Ca 0.00 1.03 -0.28 0.00 0.71 0.00 0.00 52.55 54.00 3d31 s ASP 265 Cb 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3d31 s ASP 265 CO 0.00 -0.48 1.54 -1.10 0.21 0.00 0.00 175.17 175.33 3d31 s GLN 266 N 2.69 3.40 0.48 8.23 -1.52 -1.26 -1.72 119.66 129.96 3d31 s GLN 266 Ca 0.35 0.94 0.03 0.00 -1.95 0.00 0.00 55.36 54.73 3d31 s GLN 266 Cb -0.15 -4.11 -0.04 0.00 -0.22 0.00 0.00 33.01 28.49 3d31 s GLN 266 CO 0.08 -1.79 0.02 0.14 -0.25 0.00 0.00 175.29 173.49 3d31 s VAL 267 N 6.15 1.48 -0.07 1.09 -7.23 0.84 -4.83 120.40 117.84 3d31 s VAL 267 Ca 0.65 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.87 3d31 s VAL 267 Cb -0.15 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3d31 s VAL 267 CO 0.31 0.00 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.61 3d31 s TYR 268 N -2.81 1.92 -0.20 2.82 1.51 0.72 -0.81 117.35 120.50 3d31 s TYR 268 Ca 0.17 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3d31 s TYR 268 Cb 0.04 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.60 3d31 s TYR 268 CO 0.09 -0.27 -0.15 0.00 -1.11 0.00 0.00 175.55 174.11 3d31 s ALA 269 N 0.29 2.47 -0.07 3.71 0.00 -0.83 0.58 121.76 127.90 3d31 s ALA 269 Ca -0.11 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 3d31 s ALA 269 Cb -0.15 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 3d31 s ALA 269 CO 0.05 -0.47 0.36 -0.06 0.00 0.00 0.00 175.76 175.64 3d31 s PHE 270 N 1.32 3.61 -0.17 0.00 0.40 0.88 -0.83 117.98 123.18 3d31 s PHE 270 Ca 0.04 0.83 -0.04 0.00 -0.60 0.00 0.00 56.93 57.15 3d31 s PHE 270 Cb -0.14 -2.32 0.08 0.00 0.51 0.00 0.00 43.02 41.16 3d31 s PHE 270 CO -0.10 0.46 0.24 -1.17 0.70 0.00 0.00 175.22 175.36 3d31 s LEU 271 N -0.37 -0.21 0.38 -0.37 2.96 0.11 -2.13 118.68 119.06 3d31 s LEU 271 Ca 0.21 0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 54.01 3d31 s LEU 271 Cb -0.15 0.53 -0.09 0.00 0.50 0.00 0.00 46.19 46.98 3d31 s LEU 271 CO 0.09 -0.29 1.03 -0.13 -1.32 0.00 0.00 176.35 175.73 3d31 s ARG 272 N 2.37 4.26 0.55 1.98 0.52 -1.26 -2.51 118.95 124.85 3d31 s ARG 272 Ca 0.05 1.47 0.24 0.00 -0.52 0.00 0.00 55.73 56.97 3d31 s ARG 272 Cb -0.14 -2.60 1.46 0.00 0.52 0.00 0.00 34.95 34.19 3d31 s ARG 272 CO -0.11 -0.05 2.08 -1.35 0.02 0.00 0.00 175.30 175.90 3d31 h PRO 273 N 2.64 0.00 -0.49 3.54 0.11 -1.87 -0.91 132.00 135.01 3d31 h PRO 273 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d31 h PRO 273 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d31 h PRO 273 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 3d31 n GLU 274 N -4.22 1.34 0.00 1.05 4.71 -1.26 -1.62 120.64 120.64 3d31 n GLU 274 Ca 0.03 -0.36 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 3d31 n GLU 274 Cb 0.34 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 3d31 n GLU 274 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3d31 n ASN 275 N -0.09 1.06 -4.66 1.62 3.02 -0.35 -5.00 115.26 110.87 3d31 n ASN 275 Ca 0.03 -1.31 -0.35 0.00 -0.03 0.00 0.00 54.58 52.92 3d31 n ASN 275 Cb 0.21 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 3d31 n ASN 275 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3d31 s ILE 276 N -0.31 4.27 0.50 2.41 1.01 -1.17 -3.99 121.20 123.92 3d31 s ILE 276 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3d31 s ILE 276 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3d31 s ILE 276 CO 0.00 0.59 0.24 0.00 0.00 0.00 0.00 174.94 175.77 3d31 s ALA 277 N -0.74 4.13 -0.12 9.38 0.00 0.53 -4.57 121.76 130.37 3d31 s ALA 277 Ca 0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 3d31 s ALA 277 Cb -0.12 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.63 3d31 s ALA 277 CO 0.02 -0.26 0.22 -0.51 0.00 0.00 0.00 175.76 175.23 3d31 s LEU 278 N -4.07 -0.19 0.25 0.00 1.43 -1.26 -2.47 118.68 112.36 3d31 s LEU 278 Ca 0.28 0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.86 3d31 s LEU 278 Cb 0.00 0.50 -0.05 0.00 0.03 0.00 0.00 46.19 46.67 3d31 s LEU 278 CO 0.17 -0.25 -0.14 -0.44 0.23 0.00 0.00 176.35 175.91 3d31 s SER 279 N 2.36 2.99 -0.45 2.29 0.01 -0.92 -4.96 113.70 115.01 3d31 s SER 279 Ca 0.03 -1.06 0.02 0.00 1.31 0.00 0.00 55.95 56.24 3d31 s SER 279 Cb -0.12 -0.20 0.53 0.00 0.21 0.00 0.00 66.02 66.43 3d31 s SER 279 CO -0.08 -0.14 1.87 1.17 0.41 0.00 0.00 173.24 176.47 3d31 n LYS 280 N -0.51 2.20 0.00 12.44 0.00 -1.26 -1.72 118.16 129.31 3d31 n LYS 280 Ca -0.06 -2.70 0.00 0.00 0.00 0.00 0.00 58.31 55.54 3d31 n LYS 280 Cb 0.61 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.58 3d31 n LYS 280 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3d31 n SER 281 N -0.85 0.00 -4.48 3.14 3.41 -1.26 -4.97 113.62 108.61 3d31 n SER 281 Ca 0.53 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.76 3d31 n SER 281 Cb 1.27 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.10 3d31 n SER 281 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3d31 s SER 282 N 0.00 5.62 0.44 4.04 1.04 -1.26 -4.94 113.70 118.64 3d31 s SER 282 Ca 0.00 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.18 3d31 s SER 282 Cb 0.00 -2.03 0.02 0.00 0.10 0.00 0.00 66.02 64.11 3d31 s SER 282 CO 0.00 -0.13 0.60 -0.89 0.98 0.00 0.00 173.24 173.80 3d31 s THR 283 N 1.66 2.89 -0.76 2.02 2.01 -1.26 -5.04 115.64 117.15 3d31 s THR 283 Ca 0.06 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 3d31 s THR 283 Cb -0.16 -2.89 0.13 0.00 0.01 0.00 0.00 72.50 69.59 3d31 s THR 283 CO 0.07 0.00 0.89 -1.10 -0.69 0.00 0.00 174.62 173.79 3d31 s GLN 284 N -4.40 3.36 0.00 4.92 -0.21 -1.26 -4.98 119.66 117.09 3d31 s GLN 284 Ca 0.56 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 54.28 3d31 s GLN 284 Cb -0.09 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 29.39 3d31 s GLN 284 CO 0.34 -1.60 0.00 0.43 -2.12 0.00 0.00 175.29 172.34 3d31 n SER 285 N 6.06 0.25 0.00 5.90 7.64 -1.26 -4.93 113.62 127.28 3d31 n SER 285 Ca 0.07 -0.95 0.11 0.00 1.01 0.00 0.00 58.87 59.12 3d31 n SER 285 Cb 0.46 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.34 3d31 n SER 285 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3d31 n SER 286 N -2.61 0.00 -4.58 6.43 3.41 -1.26 -4.74 113.62 110.28 3d31 n SER 286 Ca 0.00 -0.90 -0.43 0.00 -0.26 0.00 0.00 58.87 57.28 3d31 n SER 286 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3d31 n SER 286 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3d31 s ILE 287 N -2.00 4.32 0.14 -1.33 1.01 -1.26 -4.80 121.20 117.28 3d31 s ILE 287 Ca 0.34 0.92 -0.14 0.00 0.00 0.00 0.00 60.65 61.77 3d31 s ILE 287 Cb 0.16 -4.54 0.01 0.00 0.01 0.00 0.00 42.46 38.10 3d31 s ILE 287 CO 0.26 -0.97 1.63 0.03 0.00 0.00 0.00 174.94 175.90 3d31 h ARG 288 N 9.20 0.76 -5.46 2.79 2.47 -1.85 -3.43 114.38 118.85 3d31 h ARG 288 Ca -0.24 -0.20 -0.60 0.00 -1.26 0.00 0.00 59.98 57.68 3d31 h ARG 288 Cb 1.07 -0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 29.19 3d31 h ARG 288 CO 1.08 0.77 -0.38 -0.80 0.56 0.00 0.00 179.97 181.20 3d31 s ASN 289 N -6.14 6.38 -0.30 7.04 0.01 -1.23 -4.83 114.94 115.86 3d31 s ASN 289 Ca -0.13 0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 52.45 3d31 s ASN 289 Cb 0.11 -2.15 0.19 0.00 0.41 0.00 0.00 41.25 39.81 3d31 s ASN 289 CO 0.79 0.16 0.62 -0.55 -1.51 0.00 0.00 177.10 176.61 3d31 s SER 290 N 0.24 -1.35 0.01 -1.22 0.15 -1.26 -2.51 113.70 107.76 3d31 s SER 290 Ca 0.14 0.81 0.06 0.00 0.70 0.00 0.00 55.95 57.67 3d31 s SER 290 Cb -0.12 2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 66.28 3d31 s SER 290 CO 0.03 -0.25 -0.19 -0.76 1.20 0.00 0.00 173.24 173.27 3d31 s LEU 291 N 2.86 2.54 0.85 3.45 1.43 0.89 -4.92 118.68 125.79 3d31 s LEU 291 Ca 0.19 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3d31 s LEU 291 Cb -0.14 -1.49 0.12 0.00 0.03 0.00 0.00 46.19 44.70 3d31 s LEU 291 CO -0.21 0.29 1.21 -1.10 0.23 0.00 0.00 176.35 176.77 3d31 s GLN 292 N -1.11 1.56 0.00 1.70 -0.21 -1.26 0.29 119.66 120.62 3d31 s GLN 292 Ca 0.13 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.40 3d31 s GLN 292 Cb -0.10 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.96 3d31 s GLN 292 CO 0.03 -1.83 0.00 0.41 -2.12 0.00 0.00 175.29 171.78 3d31 n GLY 293 N -3.42 3.60 3.87 3.09 0.00 -0.67 -4.06 105.19 107.59 3d31 n GLY 293 Ca 0.10 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 3d31 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d31 s ARG 294 N -2.33 2.39 0.29 1.61 0.52 -1.04 0.11 118.95 120.49 3d31 s ARG 294 Ca 0.00 -1.73 -0.21 0.00 -0.52 0.00 0.00 55.73 53.26 3d31 s ARG 294 Cb 0.00 -2.24 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 3d31 s ARG 294 CO 0.00 -0.32 0.82 0.08 0.02 0.00 0.00 175.30 175.90 3d31 s VAL 295 N -2.59 4.44 -0.11 3.52 1.01 -1.03 -0.88 120.40 124.77 3d31 s VAL 295 Ca 0.43 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 3d31 s VAL 295 Cb -0.02 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3d31 s VAL 295 CO 0.25 0.09 -0.26 0.41 0.00 0.00 0.00 175.10 175.60 3d31 n THR 296 N 0.42 1.33 -3.99 3.92 -1.04 0.38 -2.47 114.28 112.82 3d31 n THR 296 Ca 0.01 0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 62.14 3d31 n THR 296 Cb 0.51 -2.13 -0.11 0.00 -1.82 0.00 0.00 70.33 66.79 3d31 n THR 296 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3d31 s GLU 297 N -2.58 0.37 -0.32 -2.82 2.02 -1.17 -4.77 118.70 109.43 3d31 s GLU 297 Ca -0.21 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.11 3d31 s GLU 297 Cb 0.03 0.13 0.09 0.00 0.10 0.00 0.00 34.13 34.48 3d31 s GLU 297 CO 0.31 -0.06 0.02 0.00 0.02 0.00 0.00 175.26 175.55 3d31 s ALA 298 N -1.87 2.83 -1.04 5.21 0.00 -1.26 -1.44 121.76 124.19 3d31 s ALA 298 Ca -0.12 -2.38 -0.16 0.00 0.00 0.00 0.00 51.96 49.30 3d31 s ALA 298 Cb -0.07 -1.89 0.17 0.00 0.00 0.00 0.00 23.12 21.33 3d31 s ALA 298 CO -0.02 -1.59 1.20 -1.58 0.00 0.00 0.00 175.76 173.76 3d31 s TRP 299 N 0.94 3.43 -0.04 0.00 0.52 0.46 -4.96 118.94 119.30 3d31 s TRP 299 Ca 0.07 -1.84 -0.32 0.00 0.02 0.00 0.00 56.10 54.02 3d31 s TRP 299 Cb -0.19 -4.20 -0.10 0.00 -1.15 0.00 0.00 33.47 27.82 3d31 s TRP 299 CO -0.07 -1.35 1.93 0.28 0.02 0.00 0.00 176.95 177.76 3d31 n VAL 300 N 4.76 0.66 -0.02 4.03 0.31 -1.26 -1.55 118.33 125.26 3d31 n VAL 300 Ca 0.27 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3d31 n VAL 300 Cb 0.46 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 3d31 n VAL 300 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3d31 n LEU 301 N 7.16 0.00 0.00 7.52 7.94 -0.73 -4.93 117.00 133.96 3d31 n LEU 301 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 3d31 n LEU 301 Cb 0.35 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 3d31 n LEU 301 CO 0.71 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 3d31 n GLY 302 N 5.00 -0.04 0.06 -3.96 0.00 -1.26 -4.69 105.19 100.30 3d31 n GLY 302 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3d31 n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d31 n ALA 303 N -3.00 2.26 -2.02 4.61 0.00 -1.26 -4.91 120.51 116.19 3d31 n ALA 303 Ca 0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.52 3d31 n ALA 303 Cb 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 19.45 18.81 3d31 n ALA 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d31 s LEU 304 N -5.10 3.45 -0.18 0.00 1.43 -1.26 0.20 118.68 117.21 3d31 s LEU 304 Ca -0.07 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3d31 s LEU 304 Cb 0.10 -2.80 0.06 0.00 0.03 0.00 0.00 46.19 43.59 3d31 s LEU 304 CO 0.86 -0.96 0.08 -0.69 0.23 0.00 0.00 176.35 175.86 3d31 s VAL 305 N -2.59 0.07 0.51 -1.59 1.01 0.73 -1.77 120.40 116.78 3d31 s VAL 305 Ca 0.56 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 3d31 s VAL 305 Cb -0.10 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.49 3d31 s VAL 305 CO 0.36 -0.29 1.14 -0.13 0.00 0.00 0.00 175.10 176.18 3d31 s ARG 306 N 2.06 3.53 -0.11 2.72 0.52 -0.60 -1.66 118.95 125.42 3d31 s ARG 306 Ca 0.02 1.66 -0.07 0.00 -0.52 0.00 0.00 55.73 56.82 3d31 s ARG 306 Cb -0.16 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.18 3d31 s ARG 306 CO -0.11 -0.71 0.27 0.08 0.02 0.00 0.00 175.30 174.85 3d31 s VAL 307 N -1.69 -0.02 -0.20 3.52 1.01 0.03 -0.40 120.40 122.64 3d31 s VAL 307 Ca 0.69 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 3d31 s VAL 307 Cb -0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3d31 s VAL 307 CO 0.30 0.03 0.04 -0.54 0.00 0.00 0.00 175.10 174.93 3d31 s LYS 308 N 0.82 3.75 0.14 2.72 1.02 -0.52 -0.36 119.74 127.30 3d31 s LYS 308 Ca -0.06 -0.45 0.10 0.00 0.02 0.00 0.00 55.97 55.58 3d31 s LYS 308 Cb -0.07 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3d31 s LYS 308 CO -0.05 0.06 -0.21 0.08 -0.92 0.00 0.00 175.35 174.31 3d31 s VAL 309 N 0.91 2.64 -0.37 3.17 1.01 -0.31 0.14 120.40 127.58 3d31 s VAL 309 Ca 0.03 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 3d31 s VAL 309 Cb -0.14 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.12 3d31 s VAL 309 CO 0.02 0.05 0.14 -0.62 0.00 0.00 0.00 175.10 174.69 3d31 s ASP 310 N -2.25 5.10 -0.39 3.32 -1.08 -0.05 -1.73 116.67 119.60 3d31 s ASP 310 Ca 0.18 -1.89 0.05 0.00 -0.52 0.00 0.00 52.55 50.37 3d31 s ASP 310 Cb -0.10 -1.77 0.44 0.00 -1.46 0.00 0.00 42.92 40.03 3d31 s ASP 310 CO 0.09 -0.46 1.28 0.00 0.52 0.00 0.00 175.17 176.60 3d31 n GLY 312 N -0.66 3.00 2.82 0.00 0.00 -1.26 -4.81 105.19 104.28 3d31 n GLY 312 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 3d31 n GLY 312 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d31 s VAL 313 N -1.18 0.45 0.12 1.61 1.01 -1.26 -4.58 120.40 116.56 3d31 s VAL 313 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3d31 s VAL 313 Cb 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.73 3d31 s VAL 313 CO 0.00 0.25 1.86 -2.65 0.00 0.00 0.00 175.10 174.56 3d31 n PRO 314 N 4.69 2.84 -4.69 2.72 -0.02 -1.26 -4.62 135.00 134.65 3d31 n PRO 314 Ca -0.15 1.03 -0.24 0.00 -2.02 0.00 0.00 63.50 62.13 3d31 n PRO 314 Cb 0.50 -2.94 -0.16 0.00 -0.02 0.00 0.00 33.50 30.89 3d31 n PRO 314 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d31 s LEU 315 N 2.98 1.90 -0.41 2.45 1.43 -0.70 -4.98 118.68 121.35 3d31 s LEU 315 Ca 0.83 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 3d31 s LEU 315 Cb -0.47 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3d31 s LEU 315 CO 0.38 0.14 0.30 0.20 0.23 0.00 0.00 176.35 177.59 3d31 s ASN 316 N 0.00 6.09 0.14 2.29 0.01 -1.26 -1.16 114.94 121.04 3d31 s ASN 316 Ca -0.02 -0.95 0.05 0.00 -0.71 0.00 0.00 52.86 51.23 3d31 s ASN 316 Cb -0.10 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 3d31 s ASN 316 CO 0.01 -0.47 0.09 -0.69 -1.51 0.00 0.00 177.10 174.54 3d31 s VAL 317 N 1.67 4.34 -0.04 1.60 1.01 0.52 -3.87 120.40 125.62 3d31 s VAL 317 Ca 0.05 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3d31 s VAL 317 Cb -0.20 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3d31 s VAL 317 CO 0.09 -0.04 -0.21 -0.22 0.00 0.00 0.00 175.10 174.72 3d31 s LEU 318 N -2.86 2.00 0.03 3.92 2.96 -0.64 -0.78 118.68 123.30 3d31 s LEU 318 Ca 0.30 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3d31 s LEU 318 Cb -0.11 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3d31 s LEU 318 CO 0.22 0.21 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.83 3d31 s ILE 319 N -0.15 0.13 0.27 6.68 1.01 -0.66 -4.72 121.20 123.74 3d31 s ILE 319 Ca -0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 3d31 s ILE 319 Cb -0.12 -0.54 -0.10 0.00 0.01 0.00 0.00 42.46 41.71 3d31 s ILE 319 CO 0.02 -0.58 1.47 0.42 0.00 0.00 0.00 174.94 176.27 3d31 s THR 320 N -1.97 2.50 0.36 2.92 -4.23 -1.26 0.26 115.64 114.22 3d31 s THR 320 Ca -0.11 0.42 0.12 0.00 -1.18 0.00 0.00 61.69 60.95 3d31 s THR 320 Cb -0.06 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.86 3d31 s THR 320 CO -0.03 0.07 1.80 -0.09 -0.54 0.00 0.00 174.62 175.83 3d31 h ARG 321 N 4.83 0.55 -0.59 3.99 2.43 0.20 -1.69 114.38 124.10 3d31 h ARG 321 Ca -0.47 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 3d31 h ARG 321 Cb 1.22 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3d31 h ARG 321 CO 0.77 0.36 0.18 -0.09 -1.51 0.00 0.00 179.97 179.68 3d31 h ARG 322 N 0.57 0.92 -0.14 0.20 9.65 -1.89 -2.10 114.38 121.58 3d31 h ARG 322 Ca 0.55 -0.20 -0.08 0.00 -1.10 0.00 0.00 59.98 59.16 3d31 h ARG 322 Cb 1.13 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 3d31 h ARG 322 CO -0.30 0.83 -0.26 0.77 2.80 0.00 0.00 179.97 183.80 3d31 h SER 323 N 0.84 0.24 0.34 -3.80 0.02 -1.69 -1.47 113.55 108.02 3d31 h SER 323 Ca 0.19 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3d31 h SER 323 Cb 0.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3d31 h SER 323 CO -0.01 0.50 0.00 0.00 -1.14 0.00 0.00 176.83 176.19 3d31 h ALA 324 N 1.52 1.00 0.02 3.77 0.00 -0.91 -0.97 119.26 123.68 3d31 h ALA 324 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 3d31 h ALA 324 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3d31 h ALA 324 CO 0.04 0.00 -2.20 0.39 0.00 0.00 0.00 179.25 177.49 3d31 n GLU 325 N -3.05 0.68 0.22 0.00 1.02 -0.61 -4.07 120.64 114.83 3d31 n GLU 325 Ca -0.02 0.14 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 3d31 n GLU 325 Cb 0.15 -1.61 0.50 0.00 -0.02 0.00 0.00 31.44 30.46 3d31 n GLU 325 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3d31 h GLU 326 N 0.01 0.00 0.00 3.49 5.08 -0.98 -3.43 114.58 118.76 3d31 h GLU 326 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3d31 h GLU 326 Cb 2.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.34 3d31 h GLU 326 CO 0.02 0.26 0.00 -1.33 -1.00 0.00 0.00 179.01 176.96 3d31 n MET 327 N -3.83 2.40 -4.69 2.33 2.81 -0.41 -5.10 117.12 110.62 3d31 n MET 327 Ca -0.02 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.54 3d31 n MET 327 Cb 0.35 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.71 3d31 n MET 327 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3d31 s GLU 328 N 1.13 3.31 0.00 0.03 2.02 -1.26 -4.89 118.70 119.03 3d31 s GLU 328 Ca 0.00 -0.71 0.29 0.00 0.02 0.00 0.00 54.97 54.57 3d31 s GLU 328 Cb 0.00 -2.63 1.44 0.00 0.10 0.00 0.00 34.13 33.04 3d31 s GLU 328 CO 0.00 0.13 2.00 -0.11 0.02 0.00 0.00 175.26 177.31 3d31 n LEU 329 N 3.75 0.00 -4.51 1.80 7.94 -1.26 -4.87 117.00 119.85 3d31 n LEU 329 Ca -0.18 0.33 -0.55 0.00 -1.11 0.00 0.00 56.01 54.50 3d31 n LEU 329 Cb 0.52 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 44.07 3d31 n LEU 329 CO 0.30 -0.01 1.62 -1.20 -1.11 0.00 0.00 177.39 176.99 3d31 n SER 330 N -1.33 2.01 -4.55 1.96 7.64 -1.26 -4.77 113.62 113.33 3d31 n SER 330 Ca 0.13 0.70 -0.24 0.00 1.01 0.00 0.00 58.87 60.47 3d31 n SER 330 Cb 0.25 -1.16 -0.08 0.00 -1.01 0.00 0.00 64.21 62.21 3d31 n SER 330 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3d31 n PRO 331 N 7.07 1.06 0.00 1.43 -0.02 -1.26 -1.77 135.00 141.51 3d31 n PRO 331 Ca 0.38 -2.18 0.00 0.00 -2.02 0.00 0.00 63.50 59.68 3d31 n PRO 331 Cb 0.15 -3.79 0.00 0.00 -0.02 0.00 0.00 33.50 29.84 3d31 n PRO 331 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d31 n GLY 332 N 5.88 -0.45 3.76 -1.23 0.00 -1.03 -4.89 105.19 107.23 3d31 n GLY 332 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 3d31 n GLY 332 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d31 s VAL 333 N 0.00 2.78 0.47 1.61 1.01 -0.73 -4.57 120.40 120.97 3d31 s VAL 333 Ca 0.00 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 3d31 s VAL 333 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 3d31 s VAL 333 CO 0.00 0.17 1.39 -1.58 0.00 0.00 0.00 175.10 175.07 3d31 s GLN 334 N -1.43 3.59 0.07 2.72 0.74 -1.26 -2.45 119.66 121.64 3d31 s GLN 334 Ca 0.51 2.32 -0.13 0.00 0.05 0.00 0.00 55.36 58.11 3d31 s GLN 334 Cb -0.39 -2.56 0.02 0.00 1.10 0.00 0.00 33.01 31.17 3d31 s GLN 334 CO 0.50 -0.86 0.31 0.42 -0.55 0.00 0.00 175.29 175.10 3d31 s ILE 335 N -1.24 0.09 -0.27 -2.34 1.01 0.30 -4.89 121.20 113.85 3d31 s ILE 335 Ca 0.63 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3d31 s ILE 335 Cb -0.42 -1.08 0.07 0.00 0.01 0.00 0.00 42.46 41.04 3d31 s ILE 335 CO 0.53 -0.42 -0.08 -0.31 0.00 0.00 0.00 174.94 174.66 3d31 s TYR 336 N -3.12 3.29 -0.49 3.97 1.51 -0.70 -1.67 117.35 120.13 3d31 s TYR 336 Ca -0.01 -2.40 -0.22 0.00 -1.01 0.00 0.00 57.07 53.42 3d31 s TYR 336 Cb 0.01 -2.07 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 3d31 s TYR 336 CO -0.07 -0.88 0.79 0.00 -1.11 0.00 0.00 175.55 174.27 3d31 s ALA 337 N 1.09 3.27 -0.13 3.71 0.00 0.14 -2.16 121.76 127.68 3d31 s ALA 337 Ca -0.05 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.70 3d31 s ALA 337 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3d31 s ALA 337 CO -0.06 -2.06 -0.19 -0.98 0.00 0.00 0.00 175.76 172.47 3d31 s ARG 338 N 3.32 3.14 0.01 0.00 1.70 -1.03 -0.08 118.95 126.01 3d31 s ARG 338 Ca 0.27 -0.80 0.02 0.00 -0.47 0.00 0.00 55.73 54.74 3d31 s ARG 338 Cb -0.14 -2.50 -0.01 0.00 -0.57 0.00 0.00 34.95 31.74 3d31 s ARG 338 CO 0.19 0.07 -0.06 -0.59 -1.08 0.00 0.00 175.30 173.84 3d31 s PHE 339 N 0.64 0.50 0.35 5.89 -0.12 -1.04 -0.34 117.98 123.85 3d31 s PHE 339 Ca -0.10 -0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 56.32 3d31 s PHE 339 Cb -0.16 -0.31 -0.11 0.00 -0.63 0.00 0.00 43.02 41.81 3d31 s PHE 339 CO 0.02 -0.03 1.49 0.21 -0.05 0.00 0.00 175.22 176.87 3d31 s LYS 340 N -0.44 4.14 0.21 1.99 2.20 -1.26 -3.55 119.74 123.03 3d31 s LYS 340 Ca -0.01 2.53 -0.02 0.00 -0.36 0.00 0.00 55.97 58.11 3d31 s LYS 340 Cb -0.04 -3.00 0.16 0.00 -1.51 0.00 0.00 37.83 33.45 3d31 s LYS 340 CO -0.00 -0.52 1.55 0.00 -0.36 0.00 0.00 175.35 176.02 3d31 h ALA 341 N 3.58 0.77 0.00 3.13 0.00 -1.87 -3.03 119.26 121.85 3d31 h ALA 341 Ca -0.49 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3d31 h ALA 341 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3d31 h ALA 341 CO 0.69 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 179.47 3d31 n SER 342 N -3.99 0.00 -0.51 0.00 3.41 -1.26 -2.18 113.62 109.09 3d31 n SER 342 Ca -0.02 -1.13 0.05 0.00 -0.26 0.00 0.00 58.87 57.50 3d31 n SER 342 Cb 0.56 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 3d31 n SER 342 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3d31 n SER 343 N -0.79 2.77 -4.34 4.04 3.41 -1.14 -4.87 113.62 112.70 3d31 n SER 343 Ca 0.11 -2.08 -0.40 0.00 -0.26 0.00 0.00 58.87 56.24 3d31 n SER 343 Cb 0.05 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 3d31 n SER 343 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d31 s VAL 344 N -1.13 4.35 -0.12 -3.33 1.01 -0.92 -4.69 120.40 115.57 3d31 s VAL 344 Ca 0.19 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3d31 s VAL 344 Cb 0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3d31 s VAL 344 CO 0.12 -0.25 0.64 -2.28 0.00 0.00 0.00 175.10 173.33 3d31 s HIS 345 N 1.51 3.50 -0.11 5.22 2.46 -0.91 -4.35 115.29 122.61 3d31 s HIS 345 Ca 0.01 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.63 3d31 s HIS 345 Cb -0.20 -2.76 -0.02 0.00 -0.13 0.00 0.00 32.58 29.47 3d31 s HIS 345 CO 0.05 0.02 -0.11 0.08 -2.47 0.00 0.00 174.74 172.31 3d31 s VAL 346 N 1.14 3.24 0.21 0.89 1.01 -1.26 -0.08 120.40 125.55 3d31 s VAL 346 Ca 0.33 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3d31 s VAL 346 Cb -0.17 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3d31 s VAL 346 CO 0.14 0.55 -0.18 -0.76 0.00 0.00 0.00 175.10 174.85 3d31 s LEU 347 N -0.05 2.51 0.00 3.92 1.43 0.20 -4.93 118.68 121.76 3d31 s LEU 347 Ca -0.02 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 3d31 s LEU 347 Cb -0.14 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3d31 s LEU 347 CO 0.04 -0.05 0.13 -1.14 0.23 0.00 0.00 176.35 175.56