#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 5.28 -0.10 2.02 1.01 -1.04 0.59 121.20 128.95 3d31 s ILE 2 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 3d31 s ILE 2 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3d31 s ILE 2 CO 0.00 0.16 -0.07 -0.70 0.00 0.00 0.00 174.94 174.33 3d31 s GLU 3 N 1.81 1.40 -0.23 2.79 2.12 -0.81 -0.45 118.70 125.33 3d31 s GLU 3 Ca 0.08 -0.21 -0.10 0.00 0.36 0.00 0.00 54.97 55.10 3d31 s GLU 3 Cb -0.16 -1.48 -0.05 0.00 0.26 0.00 0.00 34.13 32.70 3d31 s GLU 3 CO 0.11 -0.25 0.15 0.42 -0.54 0.00 0.00 175.26 175.14 3d31 s ILE 4 N 1.66 5.33 -0.34 -3.70 1.01 -0.48 -0.77 121.20 123.91 3d31 s ILE 4 Ca 0.03 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 3d31 s ILE 4 Cb -0.13 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 38.96 3d31 s ILE 4 CO -0.07 0.38 0.06 -0.70 0.00 0.00 0.00 174.94 174.61 3d31 s GLU 5 N 0.83 2.07 -1.30 2.79 2.12 -0.64 -1.03 118.70 123.54 3d31 s GLU 5 Ca 0.07 -1.58 -0.09 0.00 0.36 0.00 0.00 54.97 53.73 3d31 s GLU 5 Cb -0.13 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 3d31 s GLU 5 CO 0.02 -0.82 0.56 0.43 -0.54 0.00 0.00 175.26 174.91 3d31 n SER 6 N 4.51 -2.19 -4.83 -1.70 7.64 -0.93 -1.12 113.62 115.00 3d31 n SER 6 Ca -0.06 -1.02 -0.33 0.00 1.01 0.00 0.00 58.87 58.47 3d31 n SER 6 Cb 0.42 -3.12 -0.06 0.00 -1.01 0.00 0.00 64.21 60.45 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 -6.82 3.93 -0.29 -3.43 0.20 -0.33 -3.36 118.68 108.58 3d31 s LEU 7 Ca 0.19 1.52 -0.15 0.00 0.69 0.00 0.00 54.13 56.37 3d31 s LEU 7 Cb -0.07 -4.37 0.13 0.00 -0.43 0.00 0.00 46.19 41.46 3d31 s LEU 7 CO 0.88 -0.34 0.88 -0.44 -0.29 0.00 0.00 176.35 177.04 3d31 s SER 8 N -2.37 -0.68 -0.05 3.68 0.01 -0.92 -1.47 113.70 111.91 3d31 s SER 8 Ca 0.59 1.04 -0.11 0.00 1.31 0.00 0.00 55.95 58.78 3d31 s SER 8 Cb -0.10 1.43 0.02 0.00 0.21 0.00 0.00 66.02 67.58 3d31 s SER 8 CO 0.18 -0.16 0.25 -0.60 0.41 0.00 0.00 173.24 173.32 3d31 s ARG 9 N 1.74 0.48 -0.15 12.44 6.06 -0.91 -0.75 118.95 137.87 3d31 s ARG 9 Ca -0.08 -0.01 0.00 0.00 -2.50 0.00 0.00 55.73 53.14 3d31 s ARG 9 Cb -0.05 0.21 0.03 0.00 0.06 0.00 0.00 34.95 35.20 3d31 s ARG 9 CO -0.17 -0.11 -0.10 0.15 -2.50 0.00 0.00 175.30 172.57 3d31 s LYS 10 N -0.74 1.87 0.00 5.12 1.02 -1.26 -1.74 119.74 124.01 3d31 s LYS 10 Ca -0.08 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.40 3d31 s LYS 10 Cb -0.04 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3d31 s LYS 10 CO 0.02 -0.31 0.00 0.91 -0.92 0.00 0.00 175.35 175.05 3d31 n TRP 11 N 4.83 -1.30 0.82 3.18 8.01 -0.87 -5.03 117.44 127.07 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 0.52 0.00 -2.01 0.00 0.00 31.31 30.31 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 -0.43 0.12 0.00 -0.99 5.02 -1.26 -4.33 118.16 116.28 3d31 n LYS 12 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3d31 n LYS 12 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 -1.84 0.00 -4.22 4.39 6.94 -1.26 -5.09 115.26 114.18 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 0.37 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 2.27 -0.13 -2.53 5.36 -1.26 -5.05 117.98 116.64 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 -1.51 0.01 0.00 -0.34 0.00 0.00 43.02 41.19 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 2.75 -0.25 6.13 0.01 -1.26 -2.06 113.70 119.03 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 64.84 3d31 s SER 15 CO 0.04 0.04 -0.01 -0.76 0.41 0.00 0.00 173.24 172.96 3d31 s LEU 16 N 0.96 3.22 -0.05 2.44 1.43 -0.71 -4.06 118.68 121.90 3d31 s LEU 16 Ca -0.06 -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 44.31 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 2.61 -0.28 2.29 -4.77 -1.22 -2.14 116.67 114.61 3d31 s ASP 17 Ca 0.04 -0.43 -0.25 0.00 -3.30 0.00 0.00 52.55 48.60 3d31 s ASP 17 Cb -0.16 -0.72 0.04 0.00 -1.09 0.00 0.00 42.92 40.99 3d31 s ASP 17 CO -0.02 0.20 0.42 -3.20 0.70 0.00 0.00 175.17 173.27 3d31 n ASN 18 N 3.05 -3.62 -4.32 2.11 5.15 -0.54 -4.66 115.26 112.43 3d31 n ASN 18 Ca -0.18 -0.10 -0.35 0.00 -0.60 0.00 0.00 54.58 53.36 3d31 n ASN 18 Cb 0.52 -1.04 -0.14 0.00 -0.53 0.00 0.00 39.78 38.59 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 -1.58 2.87 -0.07 1.20 1.43 -0.54 -4.75 118.68 117.25 3d31 s LEU 19 Ca 0.25 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3d31 s LEU 19 Cb -0.03 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3d31 s LEU 19 CO 0.56 0.01 -0.13 -0.44 0.23 0.00 0.00 176.35 176.57 3d31 s SER 20 N 1.32 1.94 0.04 2.29 0.01 -1.26 -1.19 113.70 116.85 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 -0.03 0.03 0.39 -0.76 0.41 0.00 0.00 173.24 173.28 3d31 s LEU 21 N 0.73 0.51 -0.19 2.44 1.43 -0.20 -4.96 118.68 118.45 3d31 s LEU 21 Ca -0.13 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3d31 s LEU 21 Cb -0.16 1.65 0.06 0.00 0.03 0.00 0.00 46.19 47.77 3d31 s LEU 21 CO 0.03 -0.65 0.04 -0.54 0.23 0.00 0.00 176.35 175.47 3d31 s LYS 22 N -2.44 0.60 -0.31 1.70 1.02 -1.26 -1.39 119.74 117.66 3d31 s LYS 22 Ca -0.06 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 3d31 s LYS 22 Cb -0.01 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 3d31 s LYS 22 CO -0.02 -0.65 0.19 0.08 -0.92 0.00 0.00 175.35 174.03 3d31 s VAL 23 N 1.88 5.03 0.41 3.17 1.01 0.40 -5.03 120.40 127.27 3d31 s VAL 23 Ca -0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3d31 s VAL 23 Cb -0.17 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 3d31 s VAL 23 CO -0.08 0.10 0.88 -1.61 0.00 0.00 0.00 175.10 174.38 3d31 s GLU 24 N 1.69 4.08 0.14 2.72 8.01 -1.26 -0.27 118.70 133.81 3d31 s GLU 24 Ca 0.06 0.91 -0.33 0.00 0.01 0.00 0.00 54.97 55.62 3d31 s GLU 24 Cb -0.17 -2.26 -0.17 0.00 -4.31 0.00 0.00 34.13 27.22 3d31 s GLU 24 CO 0.09 -0.01 0.91 -1.13 0.01 0.00 0.00 175.26 175.12 3d31 n SER 25 N -0.76 0.08 0.00 -0.19 3.41 -1.26 -1.55 113.62 113.35 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 -1.05 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 2.04 3.75 5.00 0.00 -1.24 -4.97 105.19 111.59 3d31 n GLY 26 Ca 0.17 0.00 -0.40 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 -0.03 4.71 -0.98 1.61 2.12 -0.60 -4.69 118.70 120.84 3d31 s GLU 27 Ca 0.00 1.66 -0.13 0.00 0.36 0.00 0.00 54.97 56.86 3d31 s GLU 27 Cb 0.00 -3.25 0.23 0.00 0.26 0.00 0.00 34.13 31.37 3d31 s GLU 27 CO 0.00 0.28 1.00 -0.47 -0.54 0.00 0.00 175.26 175.53 3d31 s TYR 28 N -0.89 3.86 0.14 5.30 6.14 -1.26 -2.34 117.35 128.29 3d31 s TYR 28 Ca 0.45 -2.20 -0.29 0.00 0.64 0.00 0.00 57.07 55.67 3d31 s TYR 28 Cb -0.29 -3.93 -0.07 0.00 0.42 0.00 0.00 41.96 38.10 3d31 s TYR 28 CO 0.36 -1.07 0.90 0.12 0.64 0.00 0.00 175.55 176.50 3d31 s PHE 29 N 0.06 3.86 -0.13 4.97 5.36 1.00 -1.21 117.98 131.89 3d31 s PHE 29 Ca 0.27 1.76 0.01 0.00 -0.96 0.00 0.00 56.93 58.00 3d31 s PHE 29 Cb -0.09 -2.96 0.02 0.00 -0.34 0.00 0.00 43.02 39.66 3d31 s PHE 29 CO -0.08 0.33 -0.15 0.08 -1.46 0.00 0.00 175.22 173.94 3d31 s VAL 30 N -0.49 1.55 -0.07 3.12 1.01 0.44 0.11 120.40 126.07 3d31 s VAL 30 Ca 0.42 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3d31 s VAL 30 Cb -0.24 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3d31 s VAL 30 CO 0.29 0.45 0.50 -0.63 0.00 0.00 0.00 175.10 175.71 3d31 s ILE 31 N 1.26 5.09 -0.01 2.22 1.01 0.89 0.07 121.20 131.73 3d31 s ILE 31 Ca -0.00 1.02 0.05 0.00 0.00 0.00 0.00 60.65 61.72 3d31 s ILE 31 Cb -0.14 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3d31 s ILE 31 CO -0.07 0.38 -0.17 -0.22 0.00 0.00 0.00 174.94 174.86 3d31 s LEU 32 N 0.19 2.03 0.00 2.97 2.96 -0.20 -2.00 118.68 124.62 3d31 s LEU 32 Ca 0.27 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3d31 s LEU 32 Cb -0.16 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.63 3d31 s LEU 32 CO 0.13 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.98 3d31 n GLY 33 N 2.67 2.05 3.07 7.98 0.00 -1.15 -0.90 105.19 118.91 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 -1.11 -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 32.30 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 -1.99 1.74 0.00 0.52 2.01 -1.26 -4.53 115.64 112.12 3d31 s THR 35 Ca 0.46 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3d31 s THR 35 Cb -0.29 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3d31 s THR 35 CO 0.77 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.74 3d31 n GLY 36 N 4.71 0.42 0.34 4.40 0.00 -1.26 -2.56 105.19 111.24 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 4.48 -0.03 -0.14 4.61 0.00 -1.26 -2.07 120.51 126.10 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 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.46 -2.00 0.00 0.00 0.00 -1.06 -3.09 105.19 97.58 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 -1.79 0.00 -0.35 1.61 5.02 -1.03 -0.25 118.16 121.36 3d31 n LYS 39 Ca 0.00 0.52 0.25 0.00 -2.02 0.00 0.00 58.31 57.06 3d31 n LYS 39 Cb 0.00 -0.80 0.51 0.00 -0.02 0.00 0.00 35.03 34.72 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 -1.76 112.91 111.81 3d31 h THR 40 Ca 0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 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 -0.17 -0.07 0.37 0.00 0.00 175.52 175.71 3d31 h LEU 41 N 0.34 0.13 -0.75 2.58 3.38 -0.55 -1.62 115.31 118.81 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 1.74 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 42.33 3d31 h LEU 41 CO -0.42 0.97 0.14 0.15 0.09 0.00 0.00 178.44 179.37 3d31 h PHE 42 N -0.70 0.20 -0.60 1.13 3.57 -0.48 0.41 116.94 120.46 3d31 h PHE 42 Ca -0.03 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 3d31 h PHE 42 Cb 1.01 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3d31 h PHE 42 CO 0.22 -0.14 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.07 3d31 h LEU 43 N 0.22 1.05 -0.70 0.59 3.38 -1.39 -2.27 115.31 116.19 3d31 h LEU 43 Ca 0.43 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3d31 h LEU 43 Cb 0.76 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3d31 h LEU 43 CO -0.56 1.11 0.28 -0.33 0.09 0.00 0.00 178.44 179.02 3d31 h GLU 44 N 0.97 1.06 -0.79 1.13 5.08 0.45 -0.51 114.58 121.96 3d31 h GLU 44 Ca 0.17 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3d31 h GLU 44 Cb 0.58 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3d31 h GLU 44 CO 0.03 0.87 0.46 1.25 -1.00 0.00 0.00 179.01 180.62 3d31 h LEU 45 N 1.01 0.97 0.33 1.33 5.85 -0.17 0.52 115.31 125.15 3d31 h LEU 45 Ca 0.23 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3d31 h LEU 45 Cb 0.21 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3d31 h LEU 45 CO -0.02 0.76 -0.16 0.40 -0.34 0.00 0.00 178.44 179.08 3d31 h ILE 46 N 1.10 0.69 0.00 4.05 1.08 -0.82 -2.41 117.51 121.20 3d31 h ILE 46 Ca 0.28 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.61 3d31 h ILE 46 Cb -0.01 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3d31 h ILE 46 CO -0.05 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.44 3d31 n ALA 47 N -2.33 1.17 -1.63 1.87 0.00 -0.26 -4.87 120.51 114.47 3d31 n ALA 47 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3d31 n ALA 47 Cb 0.22 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.13 0.60 0.03 0.00 0.00 0.09 -4.22 105.19 100.56 3d31 n GLY 48 Ca 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.09 0.00 -3.70 1.61 3.01 -0.68 -4.08 117.46 112.53 3d31 n PHE 49 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 3d31 n PHE 49 Cb 0.38 0.00 -0.18 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.53 0.07 0.15 1.38 3.76 -1.26 -4.96 115.29 112.90 3d31 s HIS 50 Ca 0.03 0.22 -0.27 0.00 -0.15 0.00 0.00 55.06 54.89 3d31 s HIS 50 Cb 0.05 -0.44 -0.07 0.00 1.11 0.00 0.00 32.58 33.23 3d31 s HIS 50 CO 0.25 -0.17 0.84 0.08 -0.85 0.00 0.00 174.74 174.90 3d31 s VAL 51 N 1.93 4.38 0.73 -0.90 1.01 -1.26 -4.64 120.40 121.65 3d31 s VAL 51 Ca 0.02 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 3d31 s VAL 51 Cb -0.12 -4.21 0.19 0.00 0.00 0.00 0.00 36.38 32.23 3d31 s VAL 51 CO -0.03 0.45 0.56 -0.81 0.00 0.00 0.00 175.10 175.28 3d31 n PRO 52 N 1.99 -2.71 -0.13 2.72 -0.04 -1.26 -4.99 135.00 130.59 3d31 n PRO 52 Ca -0.03 -0.92 -0.18 0.00 -0.04 0.00 0.00 63.50 62.34 3d31 n PRO 52 Cb 0.49 -0.96 -0.11 0.00 -0.04 0.00 0.00 33.50 32.87 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 -4.24 2.05 -3.87 3.54 8.00 0.07 -4.99 116.55 117.12 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 0.33 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 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 -6.49 0.05 0.00 -2.24 1.04 -1.07 -5.05 113.70 99.94 3d31 s SER 54 Ca -0.34 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3d31 s SER 54 Cb 0.09 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.46 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 1.31 3.37 7.32 0.00 -1.21 -2.17 105.19 114.74 3d31 n GLY 55 Ca -0.20 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.79 1.42 -0.06 1.61 1.81 -0.27 -4.90 118.95 116.77 3d31 s ARG 56 Ca 0.00 -1.70 -0.02 0.00 -1.72 0.00 0.00 55.73 52.29 3d31 s ARG 56 Cb 0.00 -0.90 0.03 0.00 -0.45 0.00 0.00 34.95 33.62 3d31 s ARG 56 CO 0.00 -0.00 0.03 0.42 -0.68 0.00 0.00 175.30 175.07 3d31 s ILE 57 N -3.19 0.16 -0.36 1.52 1.01 -1.26 -1.61 121.20 117.46 3d31 s ILE 57 Ca 0.28 0.26 0.02 0.00 0.00 0.00 0.00 60.65 61.21 3d31 s ILE 57 Cb 0.04 -0.36 0.11 0.00 0.01 0.00 0.00 42.46 42.26 3d31 s ILE 57 CO 0.09 0.22 0.11 -0.76 0.00 0.00 0.00 174.94 174.60 3d31 s LEU 58 N 2.05 3.66 -0.14 2.97 1.43 0.05 -0.89 118.68 127.80 3d31 s LEU 58 Ca 0.05 -2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 50.86 3d31 s LEU 58 Cb -0.12 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3d31 s LEU 58 CO -0.04 -0.37 0.43 -0.76 0.23 0.00 0.00 176.35 175.85 3d31 s LEU 59 N 0.97 4.25 -0.92 1.79 1.43 -0.77 -1.93 118.68 123.49 3d31 s LEU 59 Ca 0.12 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3d31 s LEU 59 Cb -0.20 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.41 3d31 s LEU 59 CO -0.12 -0.00 0.00 -0.67 0.23 0.00 0.00 176.35 175.79 3d31 n ASP 60 N 3.82 -5.63 0.00 2.29 -0.08 0.20 -0.22 116.55 116.93 3d31 n ASP 60 Ca -0.08 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 3d31 n ASP 60 Cb 0.51 -3.90 0.00 0.00 2.34 0.00 0.00 41.12 40.08 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 0.19 0.67 3.54 0.27 0.00 -1.24 -5.02 105.19 103.59 3d31 n GLY 61 Ca -0.09 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.74 3.78 -0.46 1.61 -0.14 0.69 -5.03 119.74 119.45 3d31 s LYS 62 Ca 0.00 -0.45 -0.28 0.00 -1.36 0.00 0.00 55.97 53.89 3d31 s LYS 62 Cb 0.00 -3.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.02 3d31 s LYS 62 CO 0.00 0.16 1.68 0.34 -0.76 0.00 0.00 175.35 176.77 3d31 s ASP 63 N 0.65 5.83 0.00 2.83 2.15 -1.26 -1.84 116.67 125.02 3d31 s ASP 63 Ca 0.01 0.77 0.10 0.00 0.43 0.00 0.00 52.55 53.86 3d31 s ASP 63 Cb -0.14 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 3d31 s ASP 63 CO 0.02 -1.86 0.60 1.33 -0.17 0.00 0.00 175.17 175.10 3d31 n VAL 64 N 7.20 0.00 -0.26 1.11 0.24 -0.07 -4.69 118.33 121.86 3d31 n VAL 64 Ca 0.19 -0.36 0.31 0.00 -2.04 0.00 0.00 64.34 62.45 3d31 n VAL 64 Cb 0.49 1.10 0.53 0.00 -1.47 0.00 0.00 33.84 34.48 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 0.91 0.04 0.00 3.34 1.35 -1.85 0.67 112.91 117.38 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 0.33 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 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 -3.41 2.06 -0.91 5.36 8.00 -1.26 -4.59 116.55 121.80 3d31 n ASP 66 Ca 0.25 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.52 3d31 n ASP 66 Cb 1.52 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 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 -1.26 0.00 -4.49 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 -0.17 -0.48 -0.44 -1.33 0.00 0.00 177.39 174.97 3d31 s SER 68 N -0.72 3.79 0.28 -1.43 0.01 -1.26 -4.98 113.70 109.39 3d31 s SER 68 Ca 0.00 -0.75 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 3d31 s SER 68 Cb 0.00 -0.46 0.58 0.00 0.21 0.00 0.00 66.02 66.35 3d31 s SER 68 CO 0.00 0.11 1.60 -0.65 0.41 0.00 0.00 173.24 174.71 3d31 h PRO 69 N 3.04 0.06 -0.40 12.44 0.11 -1.73 0.46 132.00 145.98 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 0.51 0.04 0.21 0.93 -0.21 0.00 0.00 178.00 179.48 3d31 h GLU 70 N 0.06 0.54 0.00 1.05 3.07 -1.95 -2.55 114.58 114.80 3d31 h GLU 70 Ca 0.50 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 59.10 3d31 h GLU 70 Cb 0.95 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.71 3d31 h GLU 70 CO -0.81 0.41 -1.03 0.87 -1.40 0.00 0.00 179.01 177.05 3d31 h LYS 71 N 0.55 0.00 -0.01 2.33 1.57 -0.58 -3.22 116.57 117.21 3d31 h LYS 71 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3d31 h LYS 71 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3d31 h LYS 71 CO -0.02 0.91 0.03 0.45 -0.57 0.00 0.00 179.45 180.25 3d31 h HIS 72 N 0.00 0.00 -6.35 -1.35 3.86 -0.57 -3.47 115.15 107.27 3d31 h HIS 72 Ca -0.04 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.77 3d31 h HIS 72 Cb 1.76 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.26 3d31 h HIS 72 CO 0.00 0.00 -0.84 -3.47 0.86 0.00 0.00 177.93 174.48 3d31 n ASP 73 N -3.24 -5.43 -2.13 2.45 -0.08 -1.21 -5.00 116.55 101.90 3d31 n ASP 73 Ca -0.03 -0.89 -0.02 0.00 -1.51 0.00 0.00 54.79 52.35 3d31 n ASP 73 Cb 0.11 -2.93 -0.00 0.00 2.34 0.00 0.00 41.12 40.63 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 -3.44 0.00 -4.29 5.18 5.41 -1.26 -4.71 119.36 116.25 3d31 n ILE 74 Ca -0.15 -0.13 -0.25 0.00 1.00 0.00 0.00 62.75 63.23 3d31 n ILE 74 Cb 0.60 0.03 -0.17 0.00 -0.71 0.00 0.00 39.64 39.39 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 1.20 -0.08 -1.39 0.00 -1.00 -4.85 121.76 113.60 3d31 s ALA 75 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3d31 s ALA 75 Cb 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.47 3d31 s ALA 75 CO 0.00 -0.09 -0.02 0.12 0.00 0.00 0.00 175.76 175.76 3d31 s PHE 76 N 1.07 0.87 -0.34 0.00 5.36 -1.26 -0.86 117.98 122.82 3d31 s PHE 76 Ca -0.07 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 55.61 3d31 s PHE 76 Cb -0.14 -0.87 0.11 0.00 -0.34 0.00 0.00 43.02 41.77 3d31 s PHE 76 CO -0.01 -0.34 0.10 0.08 -1.46 0.00 0.00 175.22 173.59 3d31 s VAL 77 N 1.72 1.50 1.06 3.12 1.01 -0.99 -4.95 120.40 122.88 3d31 s VAL 77 Ca 0.02 -1.95 -0.15 0.00 0.00 0.00 0.00 61.98 59.90 3d31 s VAL 77 Cb -0.13 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.26 3d31 s VAL 77 CO -0.05 -0.68 0.40 -1.22 0.00 0.00 0.00 175.10 173.55 3d31 n TYR 78 N 4.42 -1.21 -0.20 5.22 4.02 -1.26 -3.17 117.16 124.98 3d31 n TYR 78 Ca 0.02 0.14 -0.07 0.00 -0.01 0.00 0.00 57.90 57.97 3d31 n TYR 78 Cb 0.41 -1.69 0.02 0.00 -0.02 0.00 0.00 39.34 38.06 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 -2.02 0.81 -2.88 -0.72 4.15 -1.84 -3.12 115.11 109.49 3d31 h GLN 79 Ca -0.51 -0.12 -0.79 0.00 0.77 0.00 0.00 58.65 58.00 3d31 h GLN 79 Cb 1.32 -0.14 -0.22 0.00 0.21 0.00 0.00 27.48 28.65 3d31 h GLN 79 CO 0.39 0.67 1.40 0.09 -1.93 0.00 0.00 178.83 179.45 3d31 n ASN 80 N -4.55 6.52 0.00 -0.69 3.02 -1.26 -4.91 115.26 113.39 3d31 n ASN 80 Ca 0.03 -3.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 3d31 n ASN 80 Cb 0.13 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 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 1.75 0.00 -1.20 3.10 4.02 -1.18 -4.66 117.16 118.99 3d31 n TYR 81 Ca 0.39 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.91 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 4.35 -4.77 7.72 7.64 -1.26 -4.94 113.62 122.35 3d31 n SER 82 Ca 0.00 -2.61 -0.37 0.00 1.01 0.00 0.00 58.87 56.90 3d31 n SER 82 Cb 0.00 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 61.87 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 0.99 4.13 -0.46 -3.43 1.43 -1.26 -4.97 118.68 115.11 3d31 s LEU 83 Ca 0.52 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.53 3d31 s LEU 83 Cb 0.14 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.24 3d31 s LEU 83 CO 0.00 -0.65 1.11 -0.36 0.23 0.00 0.00 176.35 176.68 3d31 s PHE 84 N -1.55 2.87 -0.42 0.29 0.40 -1.26 -4.93 117.98 113.38 3d31 s PHE 84 Ca 0.59 0.73 0.19 0.00 -0.60 0.00 0.00 56.93 57.84 3d31 s PHE 84 Cb -0.26 -4.30 0.95 0.00 0.51 0.00 0.00 43.02 39.92 3d31 s PHE 84 CO 0.33 -1.19 1.59 -0.35 0.70 0.00 0.00 175.22 176.29 3d31 n PRO 85 N 7.65 0.13 -1.35 0.24 -0.04 -1.26 -3.00 135.00 137.38 3d31 n PRO 85 Ca 0.11 0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 63.86 3d31 n PRO 85 Cb 0.49 -1.86 0.11 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.12 2.70 -3.66 0.54 1.44 -1.26 -4.80 115.22 108.06 3d31 n HIS 86 Ca 0.00 -2.37 -0.05 0.00 -2.01 0.00 0.00 57.72 53.28 3d31 n HIS 86 Cb 0.09 -0.96 -0.07 0.00 0.12 0.00 0.00 29.99 29.18 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 -3.57 0.49 0.63 -1.40 -1.94 -1.16 -5.10 119.30 107.25 3d31 s MET 87 Ca 0.57 1.21 -0.18 0.00 -1.71 0.00 0.00 55.69 55.58 3d31 s MET 87 Cb 0.47 0.49 -0.02 0.00 2.01 0.00 0.00 34.83 37.78 3d31 s MET 87 CO 0.02 -0.21 1.22 0.27 -0.01 0.00 0.00 175.02 176.32 3d31 n ASN 88 N 5.15 1.82 -0.08 3.03 0.23 -1.26 -4.47 115.26 119.68 3d31 n ASN 88 Ca -0.13 0.83 -0.02 0.00 -0.53 0.00 0.00 54.58 54.73 3d31 n ASN 88 Cb 0.51 -1.52 -0.02 0.00 -2.08 0.00 0.00 39.78 36.67 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 -1.82 -0.13 -0.29 3.53 0.31 -0.65 0.32 118.33 119.60 3d31 n VAL 89 Ca 0.15 0.71 -0.06 0.00 -0.01 0.00 0.00 64.34 65.13 3d31 n VAL 89 Cb 0.48 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.48 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 -0.11 -1.01 5.55 3.64 -1.36 0.44 116.57 123.71 3d31 h LYS 90 Ca 0.03 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.66 3d31 h LYS 90 Cb 0.08 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.83 3d31 h LYS 90 CO -0.18 -0.08 0.64 0.87 -2.27 0.00 0.00 179.45 178.44 3d31 h LYS 91 N -0.12 0.45 0.84 1.90 1.57 -0.41 0.63 116.57 121.45 3d31 h LYS 91 Ca 0.23 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3d31 h LYS 91 Cb 0.55 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3d31 h LYS 91 CO -0.82 0.30 -0.41 -0.91 -0.57 0.00 0.00 179.45 177.05 3d31 h ASN 92 N 0.47 -0.96 -0.81 0.86 2.35 0.18 -1.89 115.58 115.79 3d31 h ASN 92 Ca 0.58 0.03 0.16 0.00 -0.55 0.00 0.00 56.30 56.51 3d31 h ASN 92 Cb 1.35 0.25 -0.15 0.00 0.05 0.00 0.00 38.32 39.82 3d31 h ASN 92 CO -0.31 -0.63 -0.24 -0.07 -1.65 0.00 0.00 177.43 174.53 3d31 h LEU 93 N -1.24 -0.89 -0.41 1.61 3.38 -0.08 -0.33 115.31 117.35 3d31 h LEU 93 Ca -0.12 0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3d31 h LEU 93 Cb 0.88 0.54 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 3d31 h LEU 93 CO 0.19 -0.28 -0.17 -0.33 0.09 0.00 0.00 178.44 177.94 3d31 h GLU 94 N -0.02 -0.08 -0.29 1.13 4.39 -0.95 -3.22 114.58 115.54 3d31 h GLU 94 Ca 0.37 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.10 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 -0.06 -0.17 0.34 -1.16 0.00 0.00 179.01 177.13 3d31 n PHE 95 N -5.36 -0.13 -0.29 4.33 7.35 -0.13 0.12 117.46 123.35 3d31 n PHE 95 Ca 0.02 0.36 0.11 0.00 -0.76 0.00 0.00 57.45 57.18 3d31 n PHE 95 Cb 0.27 -0.43 0.26 0.00 0.35 0.00 0.00 39.48 39.93 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 1.29 0.16 7.13 0.00 -1.69 -0.22 103.07 109.74 3d31 h GLY 96 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3d31 h GLY 96 CO -0.27 -0.29 -0.08 -0.33 0.00 0.00 0.00 176.54 175.56 3d31 h MET 97 N 0.27 -0.21 -1.32 4.80 2.86 0.69 -2.63 114.93 119.38 3d31 h MET 97 Ca 0.51 0.01 0.40 0.00 -2.06 0.00 0.00 59.70 58.56 3d31 h MET 97 Cb 0.97 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.58 3d31 h MET 97 CO -0.59 -0.14 0.89 0.00 1.06 0.00 0.00 176.91 178.13 3d31 h ARG 98 N -0.22 0.12 -0.49 1.72 3.08 -1.00 0.91 114.38 118.51 3d31 h ARG 98 Ca -0.02 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3d31 h ARG 98 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3d31 h ARG 98 CO 0.03 0.08 -0.04 0.52 -1.07 0.00 0.00 179.97 179.49 3d31 h MET 99 N 0.13 0.89 -0.70 0.04 2.86 -0.81 -3.14 114.93 114.19 3d31 h MET 99 Ca 0.74 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3d31 h MET 99 Cb 2.44 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 34.03 3d31 h MET 99 CO -0.26 0.94 0.00 1.63 1.06 0.00 0.00 176.91 180.29 3d31 n LYS 100 N -4.29 2.84 -3.08 1.72 5.02 0.12 -5.00 118.16 115.50 3d31 n LYS 100 Ca 0.01 -2.65 -0.10 0.00 -2.02 0.00 0.00 58.31 53.55 3d31 n LYS 100 Cb 0.34 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.51 -1.89 -4.43 1.97 4.76 -0.09 -5.05 118.16 114.94 3d31 n LYS 101 Ca 0.24 1.71 -0.22 0.00 -2.87 0.00 0.00 58.31 57.18 3d31 n LYS 101 Cb 0.64 -5.01 -0.10 0.00 -1.84 0.00 0.00 35.03 28.71 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 1.93 -0.18 -0.18 1.01 -1.15 -5.03 121.20 114.95 3d31 s ILE 102 Ca 0.16 -2.22 -0.11 0.00 0.00 0.00 0.00 60.65 58.47 3d31 s ILE 102 Cb -0.04 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 3d31 s ILE 102 CO 0.79 -0.40 -0.27 0.29 0.00 0.00 0.00 174.94 175.35 3d31 n LYS 103 N -0.56 0.43 -1.32 2.79 5.02 -1.26 -4.71 118.16 118.54 3d31 n LYS 103 Ca -0.06 0.18 -0.55 0.00 -2.02 0.00 0.00 58.31 55.87 3d31 n LYS 103 Cb 0.62 -1.23 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 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 -4.01 0.81 0.02 4.39 -0.08 -1.26 -4.84 116.55 111.59 3d31 n ASP 104 Ca -0.33 0.53 0.14 0.00 -1.51 0.00 0.00 54.79 53.62 3d31 n ASP 104 Cb 0.69 -0.95 0.52 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 0.07 0.32 -0.67 -0.02 -1.26 -3.35 135.00 137.88 3d31 n PRO 105 Ca 0.56 0.05 -0.15 0.00 -2.02 0.00 0.00 63.50 61.93 3d31 n PRO 105 Cb 0.01 -1.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.80 -0.95 -0.52 1.57 -1.99 -0.69 116.57 113.19 3d31 h LYS 106 Ca 0.00 0.05 0.29 0.00 -1.87 0.00 0.00 60.65 59.13 3d31 h LYS 106 Cb 0.56 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 32.89 3d31 h LYS 106 CO 0.00 -0.48 0.28 -0.09 -0.57 0.00 0.00 179.45 178.58 3d31 h ARG 107 N -1.06 0.12 0.11 3.15 9.65 -1.96 0.75 114.38 125.14 3d31 h ARG 107 Ca -0.08 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3d31 h ARG 107 Cb 0.69 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3d31 h ARG 107 CO 0.14 0.08 -0.05 0.28 2.80 0.00 0.00 179.97 183.22 3d31 h VAL 108 N 0.13 1.10 -0.23 0.20 2.07 -1.61 0.33 116.25 118.23 3d31 h VAL 108 Ca 0.64 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3d31 h VAL 108 Cb 1.43 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3d31 h VAL 108 CO -0.75 0.23 -0.17 -0.07 0.02 0.00 0.00 177.57 176.84 3d31 h LEU 109 N -0.63 0.39 -0.21 2.57 3.38 0.37 0.31 115.31 121.48 3d31 h LEU 109 Ca -0.02 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 3d31 h LEU 109 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d31 h LEU 109 CO 0.02 0.59 -0.53 0.44 0.09 0.00 0.00 178.44 179.05 3d31 h ASP 110 N 0.37 0.84 -0.53 -0.43 3.32 0.43 -2.09 116.42 118.33 3d31 h ASP 110 Ca 0.07 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 3d31 h ASP 110 Cb 0.52 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3d31 h ASP 110 CO 0.03 1.25 0.22 0.74 -1.72 0.00 0.00 179.24 179.76 3d31 h THR 111 N 0.46 1.21 -0.48 0.35 2.02 -0.08 0.12 112.91 116.51 3d31 h THR 111 Ca -0.01 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.56 3d31 h THR 111 Cb 1.14 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3d31 h THR 111 CO 0.11 0.25 0.32 0.00 0.37 0.00 0.00 175.52 176.58 3d31 h ALA 112 N 1.06 1.81 0.17 6.16 0.00 -0.88 -2.57 119.26 125.01 3d31 h ALA 112 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3d31 h ALA 112 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3d31 h ALA 112 CO -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.27 3d31 h ARG 113 N 0.51 -0.22 -1.54 0.00 3.08 -0.78 0.66 114.38 116.09 3d31 h ARG 113 Ca 0.20 0.02 0.47 0.00 0.07 0.00 0.00 59.98 60.74 3d31 h ARG 113 Cb 0.16 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.16 3d31 h ARG 113 CO -0.05 0.18 1.05 -0.44 -1.07 0.00 0.00 179.97 179.64 3d31 h ASP 114 N -0.90 0.13 -0.47 7.04 3.32 -0.61 0.91 116.42 125.84 3d31 h ASP 114 Ca -0.02 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3d31 h ASP 114 Cb 0.51 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3d31 h ASP 114 CO 0.04 -0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.64 3d31 n LEU 115 N -4.36 3.95 -3.91 1.55 4.77 -1.03 -4.98 117.00 112.98 3d31 n LEU 115 Ca 0.38 -2.41 -0.28 0.00 -0.03 0.00 0.00 56.01 53.68 3d31 n LEU 115 Cb 1.61 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 42.26 3d31 n LEU 115 CO 0.32 0.77 -0.02 0.29 -1.33 0.00 0.00 177.39 177.41 3d31 n LYS 116 N 0.60 -4.62 0.00 3.23 5.02 0.32 -4.89 118.16 117.81 3d31 n LYS 116 Ca 0.20 0.53 0.06 0.00 -2.02 0.00 0.00 58.31 57.09 3d31 n LYS 116 Cb 0.73 -5.18 0.02 0.00 -0.02 0.00 0.00 35.03 30.58 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 0.21 -4.70 119.36 115.29 3d31 n ILE 117 Ca -0.10 -0.42 0.13 0.00 1.00 0.00 0.00 62.75 63.35 3d31 n ILE 117 Cb 0.59 1.19 0.25 0.00 -0.71 0.00 0.00 39.64 40.96 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 0.15 -0.08 0.17 0.38 1.02 -1.20 0.47 120.64 121.55 3d31 n GLU 118 Ca 0.06 1.40 0.13 0.00 -0.02 0.00 0.00 57.16 58.73 3d31 n GLU 118 Cb 0.28 -2.21 0.58 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.83 115.15 112.14 3d31 h HIS 119 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 3d31 h HIS 119 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 3d31 h HIS 119 CO -0.51 0.00 -1.17 1.28 -3.07 0.00 0.00 177.93 174.46 3d31 n LEU 120 N -2.38 0.34 -0.33 6.12 4.77 0.18 -4.68 117.00 121.03 3d31 n LEU 120 Ca 0.01 -0.25 0.28 0.00 -0.03 0.00 0.00 56.01 56.01 3d31 n LEU 120 Cb 0.17 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.69 3d31 n LEU 120 CO 0.18 0.09 0.93 -0.11 -1.33 0.00 0.00 177.39 177.14 3d31 n LEU 121 N -1.67 0.00 -0.08 2.23 7.94 -0.65 0.17 117.00 124.94 3d31 n LEU 121 Ca 0.00 0.59 -0.05 0.00 -1.11 0.00 0.00 56.01 55.45 3d31 n LEU 121 Cb 0.30 -0.26 -0.16 0.00 0.53 0.00 0.00 43.42 43.83 3d31 n LEU 121 CO 0.30 -0.59 -1.05 -0.67 -1.11 0.00 0.00 177.39 174.27 3d31 n ASP 122 N -2.97 0.06 -4.62 1.96 2.03 -1.26 -0.98 116.55 110.78 3d31 n ASP 122 Ca 0.23 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.25 3d31 n ASP 122 Cb 1.21 1.25 0.19 0.00 -0.72 0.00 0.00 41.12 43.04 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 -2.74 0.35 -0.26 -0.67 0.52 0.13 -4.58 118.95 111.70 3d31 s ARG 123 Ca -0.09 1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 56.06 3d31 s ARG 123 Cb 0.08 -1.69 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 3d31 s ARG 123 CO 0.84 -2.93 0.22 -0.80 0.02 0.00 0.00 175.30 172.65 3d31 s ASN 124 N -2.85 6.11 0.00 0.23 0.01 -1.26 -1.63 114.94 115.55 3d31 s ASN 124 Ca 0.66 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.92 3d31 s ASN 124 Cb -0.22 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.31 3d31 s ASN 124 CO 0.60 -0.03 0.01 -2.65 -1.51 0.00 0.00 177.10 173.52 3d31 n PRO 125 N 4.80 -0.00 0.13 -0.60 -0.02 -1.26 -0.47 135.00 137.58 3d31 n PRO 125 Ca -0.13 0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.48 3d31 n PRO 125 Cb 0.52 -0.01 0.39 0.00 -0.02 0.00 0.00 33.50 34.37 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 -0.87 2.45 3.38 -1.94 -3.17 115.31 115.16 3d31 h LEU 126 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d31 h LEU 126 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d31 h LEU 126 CO -0.00 0.00 -0.15 0.35 0.09 0.00 0.00 178.44 178.73 3d31 n THR 127 N -2.40 0.00 -3.17 0.22 -2.24 0.38 -4.92 114.28 102.15 3d31 n THR 127 Ca 0.05 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 3d31 n THR 127 Cb 0.42 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.24 4.10 0.71 3.22 1.43 -1.20 -5.06 118.68 119.64 3d31 s LEU 128 Ca 0.30 1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 54.59 3d31 s LEU 128 Cb 0.20 -3.97 0.09 0.00 0.03 0.00 0.00 46.19 42.53 3d31 s LEU 128 CO 0.43 -0.16 1.01 -0.94 0.23 0.00 0.00 176.35 176.91 3d31 s SER 129 N -2.22 4.60 0.00 2.29 1.04 -1.26 -4.70 113.70 113.45 3d31 s SER 129 Ca 0.52 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3d31 s SER 129 Cb -0.11 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.25 3d31 s SER 129 CO 0.18 -1.71 0.72 0.61 0.98 0.00 0.00 173.24 174.03 3d31 n GLY 130 N -2.91 -2.98 0.27 7.32 0.00 -1.26 0.46 105.19 106.08 3d31 n GLY 130 Ca 0.10 0.59 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.01 -0.31 -0.02 0.00 -1.97 0.62 103.07 101.38 3d31 h GLY 131 Ca 0.00 0.29 0.14 0.00 0.00 0.00 0.00 47.33 47.76 3d31 h GLY 131 CO 0.00 -0.20 -0.12 0.83 0.00 0.00 0.00 176.54 177.05 3d31 h GLU 132 N -0.17 0.03 0.30 4.80 5.08 -1.67 0.81 114.58 123.75 3d31 h GLU 132 Ca 0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3d31 h GLU 132 Cb 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3d31 h GLU 132 CO -0.48 0.02 -0.14 1.96 -1.00 0.00 0.00 179.01 179.37 3d31 h GLN 133 N 0.03 -0.39 -0.97 2.33 4.20 0.19 -2.25 115.11 118.26 3d31 h GLN 133 Ca 0.34 0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.30 3d31 h GLN 133 Cb 0.53 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.28 3d31 h GLN 133 CO -0.67 -0.12 0.54 0.37 -0.67 0.00 0.00 178.83 178.28 3d31 h GLN 134 N -0.62 0.54 0.66 1.46 4.15 0.23 0.38 115.11 121.90 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 0.45 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.02 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 0.55 -0.86 -1.00 1.69 2.47 0.61 -0.15 114.38 117.70 3d31 h ARG 135 Ca 0.61 0.06 0.26 0.00 -1.26 0.00 0.00 59.98 59.65 3d31 h ARG 135 Cb 1.12 0.20 -0.13 0.00 -1.65 0.00 0.00 29.97 29.50 3d31 h ARG 135 CO -0.47 -0.54 0.57 0.28 0.56 0.00 0.00 179.97 180.37 3d31 h VAL 136 N -1.09 0.48 0.28 2.04 2.07 -0.69 0.98 116.25 120.31 3d31 h VAL 136 Ca -0.09 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3d31 h VAL 136 Cb 0.72 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 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 -1.02 -0.97 1.67 0.00 0.15 -1.71 119.26 119.15 3d31 h ALA 137 Ca 0.66 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.70 3d31 h ALA 137 Cb 1.31 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 3d31 h ALA 137 CO -0.51 -1.00 0.63 -0.07 0.00 0.00 0.00 179.25 178.29 3d31 h LEU 138 N -0.44 0.47 0.09 0.00 3.38 0.33 0.62 115.31 119.76 3d31 h LEU 138 Ca -0.04 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 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 0.16 -0.09 0.00 0.09 0.00 0.00 178.44 178.62 3d31 h ALA 139 N 1.61 -0.81 0.00 1.53 0.00 0.14 0.24 119.26 121.97 3d31 h ALA 139 Ca 0.53 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 3d31 h ALA 139 Cb 1.25 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3d31 h ALA 139 CO -0.24 -0.82 -0.26 0.07 0.00 0.00 0.00 179.25 178.01 3d31 h ARG 140 N -0.18 0.00 0.00 0.00 0.11 -0.80 -1.50 114.38 112.01 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 0.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 3d31 h ARG 140 CO -0.02 0.26 -0.27 0.00 0.10 0.00 0.00 179.97 180.04 3d31 h ALA 141 N 1.74 1.32 -0.30 0.08 0.00 -0.75 -3.09 119.26 118.26 3d31 h ALA 141 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3d31 h ALA 141 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3d31 h ALA 141 CO 0.03 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.90 3d31 n LEU 142 N -3.88 4.08 0.06 0.00 4.77 0.06 -4.53 117.00 117.56 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 0.35 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 3d31 n LEU 142 CO 0.35 0.67 -0.22 0.58 -1.33 0.00 0.00 177.39 177.44 3d31 h VAL 143 N 2.05 1.28 0.00 4.08 2.07 -1.36 -3.10 116.25 121.27 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 1.49 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 3d31 h VAL 143 CO 0.25 0.83 0.00 0.41 0.02 0.00 0.00 177.57 179.07 3d31 n THR 144 N -3.41 0.24 -3.65 2.57 -1.04 -1.26 -4.90 114.28 102.84 3d31 n THR 144 Ca -0.12 0.06 -0.20 0.00 -2.04 0.00 0.00 64.05 61.74 3d31 n THR 144 Cb 1.02 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 -1.12 -5.46 -3.40 8.00 2.85 -1.17 -5.00 115.26 109.96 3d31 n ASN 145 Ca 0.10 -0.79 -0.16 0.00 -0.11 0.00 0.00 54.58 53.61 3d31 n ASN 145 Cb 0.08 -2.50 0.10 0.00 1.24 0.00 0.00 39.78 38.71 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 -2.59 -0.33 -0.08 1.20 -0.02 -1.26 -5.01 135.00 126.91 3d31 n PRO 146 Ca -0.24 -1.50 -0.09 0.00 -2.02 0.00 0.00 63.50 59.65 3d31 n PRO 146 Cb 0.65 -0.64 -0.10 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 -2.47 1.31 -3.25 -0.52 5.02 -1.26 -4.93 118.16 112.06 3d31 n LYS 147 Ca 0.10 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 3d31 n LYS 147 Cb 0.37 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.35 5.05 -0.37 -0.18 1.01 -1.26 -1.01 121.20 122.09 3d31 s ILE 148 Ca -0.12 0.62 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 3d31 s ILE 148 Cb 0.05 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.72 3d31 s ILE 148 CO 0.53 -0.05 0.13 -0.22 0.00 0.00 0.00 174.94 175.33 3d31 s LEU 149 N 2.34 4.73 -0.25 2.97 2.96 -0.78 -2.39 118.68 128.26 3d31 s LEU 149 Ca 0.20 -1.70 -0.21 0.00 -0.22 0.00 0.00 54.13 52.20 3d31 s LEU 149 Cb -0.15 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3d31 s LEU 149 CO 0.11 -0.43 0.65 -0.76 -1.32 0.00 0.00 176.35 174.60 3d31 s LEU 150 N 1.20 4.06 0.07 -0.68 1.43 -0.04 -2.15 118.68 122.58 3d31 s LEU 150 Ca 0.03 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 53.94 3d31 s LEU 150 Cb -0.21 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 3d31 s LEU 150 CO -0.02 -0.39 -0.21 -0.76 0.23 0.00 0.00 176.35 175.20 3d31 s LEU 151 N 2.54 2.23 -0.04 1.79 1.43 -0.77 -2.35 118.68 123.52 3d31 s LEU 151 Ca 0.27 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3d31 s LEU 151 Cb -0.15 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3d31 s LEU 151 CO 0.08 0.11 -0.08 1.51 0.23 0.00 0.00 176.35 178.20 3d31 s ASP 152 N -1.54 1.19 -0.89 2.29 -4.77 -1.19 -2.82 116.67 108.94 3d31 s ASP 152 Ca 0.07 -0.18 -0.15 0.00 -3.30 0.00 0.00 52.55 48.99 3d31 s ASP 152 Cb -0.09 -0.45 0.02 0.00 -1.09 0.00 0.00 42.92 41.31 3d31 s ASP 152 CO 0.03 0.02 0.28 -0.62 0.70 0.00 0.00 175.17 175.58 3d31 n GLU 153 N 3.62 -0.66 0.21 2.11 -0.58 -0.64 -3.54 120.64 121.17 3d31 n GLU 153 Ca -0.21 -0.07 0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3d31 n GLU 153 Cb 0.53 -1.70 0.42 0.00 -0.57 0.00 0.00 31.44 30.12 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 -0.78 0.00 0.00 3.49 0.11 -1.89 -3.41 132.00 129.51 3d31 h PRO 154 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d31 h PRO 154 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3d31 h PRO 154 CO 0.39 0.00 -0.36 1.28 -0.21 0.00 0.00 178.00 179.11 3d31 n LEU 155 N -2.84 1.02 0.05 2.35 4.77 -1.26 -4.75 117.00 116.34 3d31 n LEU 155 Ca 0.03 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 3d31 n LEU 155 Cb 0.40 -0.46 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 3d31 n LEU 155 CO 0.29 -0.49 0.95 -1.54 -1.33 0.00 0.00 177.39 175.27 3d31 n SER 156 N -3.49 0.00 -2.11 -1.43 3.41 -1.26 -1.50 113.62 107.23 3d31 n SER 156 Ca -0.05 0.53 -0.24 0.00 -0.26 0.00 0.00 58.87 58.85 3d31 n SER 156 Cb 0.19 -0.11 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.71 5.57 -2.47 7.33 0.00 -1.26 -4.98 120.51 122.99 3d31 n ALA 157 Ca 0.10 -3.05 -0.23 0.00 0.00 0.00 0.00 53.44 50.26 3d31 n ALA 157 Cb 1.07 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.39 2.55 0.24 0.00 1.43 -0.56 -5.10 118.68 113.85 3d31 s LEU 158 Ca 0.57 -1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 3d31 s LEU 158 Cb 0.48 -0.74 -0.10 0.00 0.03 0.00 0.00 46.19 45.86 3d31 s LEU 158 CO 0.07 -0.31 1.35 -1.81 0.23 0.00 0.00 176.35 175.88 3d31 s ASP 159 N -3.50 6.80 0.47 2.29 1.01 -1.26 -4.84 116.67 117.64 3d31 s ASP 159 Ca 0.31 2.54 0.29 0.00 0.71 0.00 0.00 52.55 56.40 3d31 s ASP 159 Cb 0.04 -2.62 1.37 0.00 1.01 0.00 0.00 42.92 42.71 3d31 s ASP 159 CO 0.14 -0.58 1.73 -0.65 0.21 0.00 0.00 175.17 176.02 3d31 h PRO 160 N 4.84 0.16 -0.63 8.23 0.11 -1.98 0.36 132.00 143.10 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 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3d31 h PRO 160 CO 0.75 0.11 0.56 0.00 -0.21 0.00 0.00 178.00 179.21 3d31 h ARG 161 N 0.17 0.00 0.00 1.05 3.08 -2.04 -1.56 114.38 115.08 3d31 h ARG 161 Ca 0.66 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.35 3d31 h ARG 161 Cb 2.15 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 32.14 3d31 h ARG 161 CO -0.21 0.00 -2.36 0.25 -1.07 0.00 0.00 179.97 176.58 3d31 n THR 162 N -3.92 1.36 -0.26 2.04 -2.24 0.13 -4.56 114.28 106.83 3d31 n THR 162 Ca 0.13 -0.84 -0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3d31 n THR 162 Cb 0.80 -0.49 0.06 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.16 -0.78 4.20 -0.99 0.84 115.11 118.50 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 0.03 -0.03 -0.48 1.49 -0.67 0.00 0.00 178.83 179.17 3d31 h GLU 164 N -0.05 -0.69 -0.02 1.46 4.81 -1.80 0.12 114.58 118.41 3d31 h GLU 164 Ca 0.33 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 3d31 h GLU 164 Cb 0.56 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 3d31 h GLU 164 CO -0.78 -0.46 -0.18 -0.91 -0.73 0.00 0.00 179.01 175.95 3d31 h ASN 165 N -0.72 -0.54 -0.91 1.04 2.35 -1.54 -2.53 115.58 112.73 3d31 h ASN 165 Ca -0.01 0.08 0.13 0.00 -0.55 0.00 0.00 56.30 55.95 3d31 h ASN 165 Cb 0.70 0.23 -0.14 0.00 0.05 0.00 0.00 38.32 39.16 3d31 h ASN 165 CO -0.23 -0.25 -0.41 0.00 -1.65 0.00 0.00 177.43 174.89 3d31 h ALA 166 N 0.64 -0.00 -0.65 -0.83 0.00 0.11 0.49 119.26 119.02 3d31 h ALA 166 Ca 0.06 0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3d31 h ALA 166 Cb 0.37 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 3d31 h ALA 166 CO -0.19 -0.69 0.22 0.00 0.00 0.00 0.00 179.25 178.59 3d31 h ARG 167 N -0.04 0.37 0.40 0.00 3.08 -0.36 -2.27 114.38 115.56 3d31 h ARG 167 Ca 0.29 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 3d31 h ARG 167 Cb 0.57 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3d31 h ARG 167 CO -0.92 0.25 -0.24 1.49 -1.07 0.00 0.00 179.97 179.48 3d31 h GLU 168 N 0.38 -0.57 -0.51 0.04 4.81 0.19 -0.26 114.58 118.65 3d31 h GLU 168 Ca 0.34 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.72 3d31 h GLU 168 Cb 0.47 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.88 3d31 h GLU 168 CO -0.36 -0.38 -0.09 -0.12 -0.73 0.00 0.00 179.01 177.33 3d31 n MET 169 N -3.77 -0.04 0.18 1.92 1.56 -0.08 0.30 117.12 117.18 3d31 n MET 169 Ca -0.07 0.79 -0.12 0.00 -0.27 0.00 0.00 57.70 58.03 3d31 n MET 169 Cb 0.24 -1.20 -0.07 0.00 2.15 0.00 0.00 33.22 34.34 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 -0.42 -0.72 -0.89 3.38 -1.21 -1.70 115.31 113.75 3d31 h LEU 170 Ca 0.27 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.26 3d31 h LEU 170 Cb 0.45 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 3d31 h LEU 170 CO -0.52 0.00 0.11 -1.28 0.09 0.00 0.00 178.44 176.84 3d31 h SER 171 N -0.95 -0.12 0.31 -0.43 0.87 0.17 0.23 113.55 113.64 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 0.53 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 3d31 h SER 171 CO 0.08 -0.09 -0.41 0.58 -0.53 0.00 0.00 176.83 176.47 3d31 h VAL 172 N 0.20 0.18 -0.67 2.23 2.07 -0.42 -1.90 116.25 117.94 3d31 h VAL 172 Ca 0.40 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.02 3d31 h VAL 172 Cb 0.69 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3d31 h VAL 172 CO -0.55 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.42 3d31 h LEU 173 N -0.77 0.44 -0.57 2.57 3.38 -0.20 -1.02 115.31 119.14 3d31 h LEU 173 Ca -0.02 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3d31 h LEU 173 Cb 0.72 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 3d31 h LEU 173 CO -0.12 0.26 0.04 -0.74 0.09 0.00 0.00 178.44 177.97 3d31 h HIS 174 N 0.49 0.04 0.00 1.13 2.76 0.22 -2.71 115.15 117.08 3d31 h HIS 174 Ca 0.31 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 3d31 h HIS 174 Cb 0.56 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3d31 h HIS 174 CO -0.00 -0.10 -0.01 0.87 -1.30 0.00 0.00 177.93 177.38 3d31 h LYS 175 N 0.16 0.00 0.00 5.26 1.79 -1.05 0.19 116.57 122.92 3d31 h LYS 175 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3d31 h LYS 175 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3d31 h LYS 175 CO -0.44 0.00 0.19 1.63 -1.08 0.00 0.00 179.45 179.75 3d31 n LYS 176 N -2.32 0.00 0.00 3.15 5.02 -0.49 0.26 118.16 123.77 3d31 n LYS 176 Ca -0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3d31 n LYS 176 Cb 0.01 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 -0.97 0.20 -3.61 4.39 3.02 -1.02 -5.00 115.26 112.26 3d31 n ASN 177 Ca 0.00 -0.53 -0.21 0.00 -0.03 0.00 0.00 54.58 53.81 3d31 n ASN 177 Cb 0.19 0.47 0.06 0.00 -0.61 0.00 0.00 39.78 39.89 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 -0.47 -5.97 -2.37 3.52 4.76 0.72 -4.93 118.16 113.41 3d31 n LYS 178 Ca 0.00 0.73 -0.32 0.00 -2.87 0.00 0.00 58.31 55.85 3d31 n LYS 178 Cb 0.02 -5.55 -0.03 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 3.61 -0.38 -0.35 1.43 0.63 -4.53 118.68 112.41 3d31 s LEU 179 Ca 0.13 1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 3d31 s LEU 179 Cb -0.06 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.75 3d31 s LEU 179 CO 0.77 -0.62 0.15 -0.89 0.23 0.00 0.00 176.35 175.99 3d31 s THR 180 N -2.62 3.01 -0.16 5.49 2.01 -0.18 -3.64 115.64 119.55 3d31 s THR 180 Ca 0.59 -2.09 -0.09 0.00 0.31 0.00 0.00 61.69 60.41 3d31 s THR 180 Cb -0.10 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 3d31 s THR 180 CO 0.32 -0.63 0.15 -0.69 -0.69 0.00 0.00 174.62 173.08 3d31 s VAL 181 N 1.09 5.44 -0.38 3.82 1.01 -0.99 -1.87 120.40 128.52 3d31 s VAL 181 Ca 0.08 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 3d31 s VAL 181 Cb -0.22 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.79 3d31 s VAL 181 CO -0.05 0.52 0.16 -0.22 0.00 0.00 0.00 175.10 175.51 3d31 s LEU 182 N -0.29 4.77 -0.28 3.92 2.96 -0.91 -0.00 118.68 128.85 3d31 s LEU 182 Ca 0.12 -1.59 -0.08 0.00 -0.22 0.00 0.00 54.13 52.36 3d31 s LEU 182 Cb -0.12 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3d31 s LEU 182 CO 0.01 -0.44 0.09 -2.28 -1.32 0.00 0.00 176.35 172.41 3d31 s HIS 183 N 1.28 3.12 -0.23 5.38 5.65 0.12 -1.86 115.29 128.75 3d31 s HIS 183 Ca 0.02 -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 -0.01 -0.45 0.02 0.42 -0.65 0.00 0.00 174.74 174.07 3d31 s ILE 184 N 1.58 3.96 0.17 0.89 1.01 -1.13 -0.08 121.20 127.61 3d31 s ILE 184 Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 3d31 s ILE 184 Cb -0.16 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3d31 s ILE 184 CO 0.04 0.38 0.19 -0.89 0.00 0.00 0.00 174.94 174.65 3d31 s THR 185 N 1.46 0.06 -0.99 2.92 2.01 -0.85 -1.61 115.64 118.63 3d31 s THR 185 Ca 0.05 -1.71 0.09 0.00 0.31 0.00 0.00 61.69 60.43 3d31 s THR 185 Cb -0.15 -2.10 0.04 0.00 0.01 0.00 0.00 72.50 70.31 3d31 s THR 185 CO 0.01 -0.26 0.70 0.00 -0.69 0.00 0.00 174.62 174.38 3d31 n HIS 186 N -0.20 0.00 -3.21 4.92 1.44 -1.26 -2.95 115.22 113.96 3d31 n HIS 186 Ca -0.04 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.24 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 -0.97 6.23 0.34 4.39 -1.08 -1.26 -4.79 116.67 119.52 3d31 s ASP 187 Ca 0.09 -0.78 0.08 0.00 -0.52 0.00 0.00 52.55 51.42 3d31 s ASP 187 Cb 0.07 -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 1.80 0.06 0.52 0.00 0.00 175.17 176.94 3d31 h GLN 188 N 8.88 0.26 -0.50 4.34 3.07 -1.98 -0.45 115.11 128.73 3d31 h GLN 188 Ca -0.27 -0.09 -0.08 0.00 0.09 0.00 0.00 58.65 58.30 3d31 h GLN 188 Cb 1.10 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.62 3d31 h GLN 188 CO 0.90 0.51 -0.02 1.15 0.09 0.00 0.00 178.83 181.46 3d31 h THR 189 N 0.23 1.25 -0.01 1.86 2.02 -1.99 0.13 112.91 116.39 3d31 h THR 189 Ca 0.04 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 3d31 h THR 189 Cb 0.60 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3d31 h THR 189 CO 0.04 0.38 -0.01 -0.33 0.37 0.00 0.00 175.52 175.98 3d31 h GLU 190 N 0.80 0.03 -0.42 6.66 4.39 -1.87 -2.64 114.58 121.53 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 0.51 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 3d31 h GLU 190 CO 0.03 0.42 -0.44 0.00 -1.16 0.00 0.00 179.01 177.86 3d31 h ALA 191 N 0.61 -0.44 -0.88 3.43 0.00 -0.68 -2.34 119.26 118.95 3d31 h ALA 191 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3d31 h ALA 191 Cb 0.41 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3d31 h ALA 191 CO 0.00 -0.87 0.00 0.54 0.00 0.00 0.00 179.25 178.92 3d31 n ARG 192 N -5.41 0.00 -0.53 0.00 1.74 0.41 -1.06 116.66 111.80 3d31 n ARG 192 Ca -0.01 0.57 0.41 0.00 -0.77 0.00 0.00 57.85 58.05 3d31 n ARG 192 Cb 0.35 -1.35 0.63 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.94 -0.03 -0.17 0.55 5.41 -1.00 -2.04 119.36 120.14 3d31 n ILE 193 Ca 0.00 1.20 0.00 0.00 1.00 0.00 0.00 62.75 64.95 3d31 n ILE 193 Cb 0.00 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 36.93 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 -0.24 -2.46 0.38 2.81 -0.90 -5.07 117.12 108.02 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 1.54 -0.86 -0.02 0.00 -0.71 0.00 0.00 33.22 33.16 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 -0.07 3.20 -0.02 3.04 0.00 -0.23 -4.88 121.76 122.80 3d31 s ALA 195 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.00 3d31 s ALA 195 Cb 0.00 -2.93 -0.16 0.00 0.00 0.00 0.00 23.12 20.04 3d31 s ALA 195 CO 0.00 -0.26 0.22 -0.25 0.00 0.00 0.00 175.76 175.46 3d31 n ASP 196 N -1.78 2.65 -3.56 0.00 9.92 -0.35 -4.83 116.55 118.60 3d31 n ASP 196 Ca 0.05 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.18 3d31 n ASP 196 Cb 0.54 1.43 -0.05 0.00 -0.64 0.00 0.00 41.12 42.40 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 -2.69 0.72 0.04 -1.24 0.52 -1.24 -4.37 118.95 110.69 3d31 s ARG 197 Ca -0.04 0.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.42 3d31 s ARG 197 Cb 0.06 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.85 3d31 s ARG 197 CO 0.43 -0.23 -0.26 0.42 0.02 0.00 0.00 175.30 175.68 3d31 s ILE 198 N -1.19 2.20 -0.32 1.52 -1.09 -0.79 -0.42 121.20 121.11 3d31 s ILE 198 Ca -0.04 -1.35 0.01 0.00 -2.23 0.00 0.00 60.65 57.04 3d31 s ILE 198 Cb -0.00 -1.85 0.10 0.00 -1.58 0.00 0.00 42.46 39.12 3d31 s ILE 198 CO 0.03 0.38 0.07 0.00 -1.23 0.00 0.00 174.94 174.19 3d31 s ALA 199 N -0.80 2.17 -0.22 9.38 0.00 0.11 -1.47 121.76 130.93 3d31 s ALA 199 Ca 0.12 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.75 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 0.02 -1.64 1.19 0.08 0.00 0.00 0.00 175.76 175.41 3d31 s VAL 200 N 1.28 4.39 -0.19 0.00 1.01 -0.18 -1.04 120.40 125.67 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 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.09 3d31 s VAL 200 CO -0.16 -0.24 -0.07 -0.69 0.00 0.00 0.00 175.10 173.93 3d31 s VAL 201 N 3.59 1.38 -0.17 2.92 1.01 -0.08 0.94 120.40 129.99 3d31 s VAL 201 Ca 0.51 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3d31 s VAL 201 Cb -0.18 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3d31 s VAL 201 CO 0.14 0.09 -0.10 -0.04 0.00 0.00 0.00 175.10 175.18 3d31 s MET 202 N 1.50 3.35 -1.26 2.72 -1.94 -0.47 -2.73 119.30 120.47 3d31 s MET 202 Ca -0.01 -0.67 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 3d31 s MET 202 Cb -0.16 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 33.91 3d31 s MET 202 CO -0.08 0.03 0.71 -3.47 -0.01 0.00 0.00 175.02 172.20 3d31 n ASP 203 N 4.07 -2.41 -3.82 3.03 2.03 -1.26 -2.28 116.55 115.92 3d31 n ASP 203 Ca -0.18 -0.87 -0.26 0.00 0.52 0.00 0.00 54.79 54.00 3d31 n ASP 203 Cb 0.52 -3.93 0.01 0.00 -0.72 0.00 0.00 41.12 36.99 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 -1.60 -0.44 3.05 0.27 0.00 -1.26 -4.76 105.19 100.46 3d31 n GLY 204 Ca -0.24 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.26 0.18 0.12 1.61 -0.14 -0.96 -3.44 119.74 110.85 3d31 s LYS 205 Ca 0.12 0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 55.18 3d31 s LYS 205 Cb -0.04 -0.00 -0.07 0.00 -1.68 0.00 0.00 37.83 36.03 3d31 s LYS 205 CO 0.86 -0.26 1.31 -1.17 -0.76 0.00 0.00 175.35 175.33 3d31 s LEU 206 N 2.26 4.38 -0.05 3.17 2.96 -1.26 -1.37 118.68 128.77 3d31 s LEU 206 Ca -0.01 2.24 0.01 0.00 -0.22 0.00 0.00 54.13 56.15 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 -0.56 -0.04 -0.38 -1.32 0.00 0.00 176.35 173.96 3d31 n ILE 207 N 3.66 0.27 -3.83 6.68 5.41 0.27 -4.95 119.36 126.87 3d31 n ILE 207 Ca 0.09 -0.11 -0.10 0.00 1.00 0.00 0.00 62.75 63.64 3d31 n ILE 207 Cb 0.44 -0.69 -0.06 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.10 1.16 -0.15 0.38 0.74 -1.19 -5.00 119.66 113.50 3d31 s GLN 208 Ca -0.06 -0.98 -0.17 0.00 0.05 0.00 0.00 55.36 54.20 3d31 s GLN 208 Cb 0.02 0.43 0.04 0.00 1.10 0.00 0.00 33.01 34.60 3d31 s GLN 208 CO 0.11 -0.45 0.46 0.08 -0.55 0.00 0.00 175.29 174.95 3d31 s VAL 209 N -3.90 0.01 0.00 1.34 1.01 -1.26 -1.01 120.40 116.58 3d31 s VAL 209 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3d31 s VAL 209 Cb 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3d31 s VAL 209 CO -0.04 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3d31 n GLY 210 N 2.53 3.44 3.36 4.51 0.00 -0.54 -4.97 105.19 113.52 3d31 n GLY 210 Ca -0.15 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.55 0.26 -0.17 1.61 5.02 -1.26 -1.88 118.16 120.18 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 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.03 -0.13 -0.99 1.97 0.11 -1.88 -0.88 132.00 130.23 3d31 h PRO 212 Ca -0.44 0.01 0.35 0.00 0.11 0.00 0.00 66.00 66.04 3d31 h PRO 212 Cb 1.41 0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.38 3d31 h PRO 212 CO 0.44 -0.09 0.43 0.93 -0.21 0.00 0.00 178.00 179.50 3d31 h GLU 213 N -0.14 0.09 0.00 1.05 5.08 -1.99 0.70 114.58 119.38 3d31 h GLU 213 Ca 0.07 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3d31 h GLU 213 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3d31 h GLU 213 CO -0.48 0.06 -0.32 0.93 -1.00 0.00 0.00 179.01 178.20 3d31 h GLU 214 N 0.10 0.00 0.16 2.33 5.08 -1.47 -1.35 114.58 119.43 3d31 h GLU 214 Ca 0.75 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.82 3d31 h GLU 214 Cb 1.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.10 3d31 h GLU 214 CO -0.75 0.32 -1.36 0.82 -1.00 0.00 0.00 179.01 177.04 3d31 h ILE 215 N 0.00 1.38 0.03 3.13 1.08 0.70 -3.18 117.51 120.65 3d31 h ILE 215 Ca -0.00 -2.92 -0.39 0.00 -0.39 0.00 0.00 64.86 61.16 3d31 h ILE 215 Cb 0.67 2.94 -0.06 0.00 -3.07 0.00 0.00 36.82 37.30 3d31 h ILE 215 CO 0.04 0.86 -2.37 0.49 -0.69 0.00 0.00 178.15 176.49 3d31 n PHE 216 N -3.57 0.29 1.85 1.37 3.01 -1.03 -3.49 117.46 115.88 3d31 n PHE 216 Ca -0.12 0.06 0.16 0.00 1.01 0.00 0.00 57.45 58.56 3d31 n PHE 216 Cb 1.05 -1.04 0.85 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 -3.35 1.04 -2.87 -1.08 1.02 -0.51 -4.22 120.64 110.67 3d31 n GLU 217 Ca -0.43 -0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 56.43 3d31 n GLU 217 Cb 1.00 -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 -0.84 0.87 -1.04 3.49 5.02 -1.20 -5.01 118.16 119.46 3d31 n LYS 218 Ca 0.22 -2.25 -0.29 0.00 -2.02 0.00 0.00 58.31 53.97 3d31 n LYS 218 Cb 0.17 -1.32 0.21 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.15 -0.41 0.27 1.97 0.02 -1.23 -4.56 135.00 130.91 3d31 s PRO 219 Ca 0.30 0.34 0.04 0.00 0.02 0.00 0.00 61.00 61.71 3d31 s PRO 219 Cb 0.26 -1.65 -0.03 0.00 0.02 0.00 0.00 34.50 33.09 3d31 s PRO 219 CO -0.14 -3.26 0.40 0.08 -0.33 0.00 0.00 177.00 173.75 3d31 s VAL 220 N -2.89 5.17 0.55 3.83 1.01 -1.26 -4.93 120.40 121.87 3d31 s VAL 220 Ca 0.67 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3d31 s VAL 220 Cb -0.17 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 3d31 s VAL 220 CO 0.58 -0.37 0.30 -1.84 0.00 0.00 0.00 175.10 173.77 3d31 n GLU 221 N -1.50 0.33 0.00 2.72 0.28 -1.26 -2.97 120.64 118.24 3d31 n GLU 221 Ca -0.08 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 3d31 n GLU 221 Cb 0.57 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 2.03 0.29 0.45 -1.84 0.00 -1.26 -3.64 105.19 101.22 3d31 n GLY 222 Ca 0.10 0.29 -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 -0.41 -0.43 1.61 3.08 -1.99 0.12 114.38 116.36 3d31 h ARG 223 Ca 0.00 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 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 -0.27 0.16 0.28 -1.07 0.00 0.00 179.97 179.07 3d31 h VAL 224 N -0.42 1.20 -0.69 2.04 2.07 -1.67 -1.79 116.25 117.00 3d31 h VAL 224 Ca 0.06 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3d31 h VAL 224 Cb 0.60 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3d31 h VAL 224 CO -0.56 0.23 0.24 0.00 0.02 0.00 0.00 177.57 177.50 3d31 h ALA 225 N 1.01 0.90 -0.63 1.67 0.00 -1.41 -1.92 119.26 118.87 3d31 h ALA 225 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3d31 h ALA 225 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3d31 h ALA 225 CO -0.01 0.56 0.16 1.03 0.00 0.00 0.00 179.25 180.99 3d31 h SER 226 N 1.00 0.92 0.79 0.00 0.87 -0.66 0.82 113.55 117.29 3d31 h SER 226 Ca 0.22 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3d31 h SER 226 Cb 0.27 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3d31 h SER 226 CO -0.01 0.89 -0.32 0.15 -0.53 0.00 0.00 176.83 177.01 3d31 h PHE 227 N 0.94 0.00 0.00 2.24 3.57 -0.76 -3.35 116.94 119.58 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 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3d31 h PHE 227 CO 0.02 0.32 -0.05 1.33 -2.23 0.00 0.00 178.31 177.70 3d31 n VAL 228 N -3.55 0.20 -1.67 1.41 0.24 -0.77 -5.07 118.33 109.13 3d31 n VAL 228 Ca -0.00 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 61.71 3d31 n VAL 228 Cb 0.46 0.85 0.05 0.00 -1.47 0.00 0.00 33.84 33.73 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 -0.11 0.10 2.97 7.63 0.00 0.28 -4.42 105.19 111.63 3d31 n GLY 229 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.59 -1.11 -3.69 1.61 3.01 -1.26 -5.02 117.46 109.41 3d31 n PHE 230 Ca 0.13 0.47 -0.10 0.00 1.01 0.00 0.00 57.45 58.96 3d31 n PHE 230 Cb 0.47 -1.16 -0.10 0.00 -0.01 0.00 0.00 39.48 38.68 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 -1.45 0.51 -0.39 -1.08 0.41 -1.26 -4.80 118.70 110.64 3d31 s GLU 231 Ca 0.16 0.86 -0.14 0.00 -0.41 0.00 0.00 54.97 55.44 3d31 s GLU 231 Cb -0.02 0.09 0.01 0.00 -1.78 0.00 0.00 34.13 32.43 3d31 s GLU 231 CO 0.36 -0.13 0.26 -0.80 -0.49 0.00 0.00 175.26 174.46 3d31 s ASN 232 N 1.16 5.99 -0.13 -0.19 0.01 -1.05 -4.89 114.94 115.84 3d31 s ASN 232 Ca -0.07 -0.82 -0.00 0.00 -0.71 0.00 0.00 52.86 51.25 3d31 s ASN 232 Cb -0.06 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.51 3d31 s ASN 232 CO -0.11 -0.39 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.33 3d31 s VAL 233 N 1.66 1.06 -0.23 1.60 1.01 -1.26 0.03 120.40 124.28 3d31 s VAL 233 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3d31 s VAL 233 Cb -0.19 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3d31 s VAL 233 CO 0.09 0.29 -0.02 -0.76 0.00 0.00 0.00 175.10 174.70 3d31 s LEU 234 N 1.68 2.99 -0.18 3.92 1.43 -0.05 -4.93 118.68 123.55 3d31 s LEU 234 Ca 0.04 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 3d31 s LEU 234 Cb -0.13 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 3d31 s LEU 234 CO -0.08 -0.02 1.01 -1.59 0.23 0.00 0.00 176.35 175.89 3d31 s LYS 235 N 1.50 4.32 0.29 1.70 -2.85 -1.26 -2.02 119.74 121.42 3d31 s LYS 235 Ca 0.06 1.33 0.06 0.00 -1.00 0.00 0.00 55.97 56.42 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 -0.49 0.26 0.41 0.10 0.00 0.00 175.35 175.61 3d31 n GLY 236 N 3.26 2.97 2.90 0.59 0.00 0.07 -4.70 105.19 110.28 3d31 n GLY 236 Ca 0.10 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.12 1.37 -0.05 1.61 3.52 -0.61 -0.10 118.95 121.57 3d31 s ARG 237 Ca 0.34 -0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 3d31 s ARG 237 Cb 0.01 -1.43 -0.07 0.00 -1.56 0.00 0.00 34.95 31.91 3d31 s ARG 237 CO 0.24 -0.23 1.88 0.08 -0.81 0.00 0.00 175.30 176.46 3d31 s VAL 238 N 1.58 3.24 -0.10 7.11 1.01 -0.68 -1.14 120.40 131.43 3d31 s VAL 238 Ca 0.02 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.38 3d31 s VAL 238 Cb -0.13 -3.21 -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 0.00 175.10 175.05 3d31 n ILE 239 N 5.93 1.59 -3.82 2.22 5.41 0.15 -0.46 119.36 130.39 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 0.43 -1.08 -0.10 0.00 -0.71 0.00 0.00 39.64 38.18 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 -6.18 -0.09 -0.44 4.38 0.15 -1.07 -4.84 113.70 105.61 3d31 s SER 240 Ca -0.11 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.63 3d31 s SER 240 Cb 0.07 0.29 0.23 0.00 -1.71 0.00 0.00 66.02 64.91 3d31 s SER 240 CO 0.80 -0.34 0.65 0.00 1.20 0.00 0.00 173.24 175.55 3d31 n ALA 241 N 1.67 0.75 -2.57 5.45 0.00 -1.26 -1.04 120.51 123.51 3d31 n ALA 241 Ca -0.21 -2.46 -0.43 0.00 0.00 0.00 0.00 53.44 50.35 3d31 n ALA 241 Cb 0.56 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.21 3.15 -0.74 0.00 0.41 -1.13 -4.49 118.70 115.68 3d31 s GLU 242 Ca 0.33 -0.71 -0.02 0.00 -0.41 0.00 0.00 54.97 54.16 3d31 s GLU 242 Cb 0.16 -4.00 -0.03 0.00 -1.78 0.00 0.00 34.13 28.49 3d31 s GLU 242 CO -0.16 -0.99 0.64 0.94 -0.49 0.00 0.00 175.26 175.19 3d31 n GLN 243 N 5.90 -2.73 0.00 1.61 -0.06 -1.26 -3.42 117.38 117.42 3d31 n GLN 243 Ca -0.06 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 55.52 3d31 n GLN 243 Cb 0.47 -4.54 0.00 0.00 -4.06 0.00 0.00 30.24 22.11 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 2.05 3.59 1.69 0.00 -1.26 -4.94 105.19 105.10 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 4.16 0.33 0.99 2.96 -1.22 -1.38 118.68 124.52 3d31 s LEU 245 Ca 0.00 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3d31 s LEU 245 Cb 0.00 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3d31 s LEU 245 CO 0.00 -0.43 0.56 -0.76 -1.32 0.00 0.00 176.35 174.39 3d31 s LEU 246 N 2.49 4.01 -0.19 -0.68 1.43 -0.14 -2.84 118.68 122.76 3d31 s LEU 246 Ca 0.23 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 3d31 s LEU 246 Cb -0.15 -3.41 0.06 0.00 0.03 0.00 0.00 46.19 42.71 3d31 s LEU 246 CO 0.12 -0.27 0.03 -0.13 0.23 0.00 0.00 176.35 176.32 3d31 s ARG 247 N -4.05 0.70 0.08 1.70 1.81 -0.20 -1.75 118.95 117.24 3d31 s ARG 247 Ca 0.42 -0.43 0.05 0.00 -1.72 0.00 0.00 55.73 54.04 3d31 s ARG 247 Cb -0.10 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 3d31 s ARG 247 CO 0.34 -0.63 -0.03 0.42 -0.68 0.00 0.00 175.30 174.72 3d31 s ILE 248 N 1.84 3.83 -0.14 1.52 1.01 0.46 0.31 121.20 130.02 3d31 s ILE 248 Ca -0.01 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 3d31 s ILE 248 Cb -0.17 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3d31 s ILE 248 CO -0.08 0.15 -0.06 -0.60 0.00 0.00 0.00 174.94 174.36 3d31 s ARG 249 N -2.18 3.51 -0.10 2.79 3.52 -0.29 -0.21 118.95 125.99 3d31 s ARG 249 Ca 0.24 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3d31 s ARG 249 Cb -0.11 -2.83 0.02 0.00 -1.56 0.00 0.00 34.95 30.47 3d31 s ARG 249 CO 0.16 0.29 -0.09 0.08 -0.81 0.00 0.00 175.30 174.94 3d31 s VAL 250 N 0.20 1.03 0.00 7.11 1.01 -0.65 -1.57 120.40 127.54 3d31 s VAL 250 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.62 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 4.62 1.87 0.52 4.51 0.00 -1.26 -0.49 105.19 114.96 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 2.41 0.86 -3.81 1.61 1.02 -1.26 -5.03 120.64 116.43 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 -1.07 2.62 -0.06 2.62 -7.23 0.36 -5.11 120.40 112.53 3d31 s VAL 253 Ca 0.15 -1.49 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 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 0.00 175.10 173.99 3d31 s VAL 254 N -2.50 2.00 -0.06 1.32 1.01 -1.26 -1.64 120.40 119.27 3d31 s VAL 254 Ca 0.45 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3d31 s VAL 254 Cb -0.01 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3d31 s VAL 254 CO 0.26 0.56 -0.22 -0.63 0.00 0.00 0.00 175.10 175.07 3d31 s ILE 255 N -0.09 1.81 -0.08 2.22 1.01 0.71 -4.92 121.20 121.85 3d31 s ILE 255 Ca -0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 3d31 s ILE 255 Cb -0.14 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3d31 s ILE 255 CO 0.04 0.51 0.36 -1.81 0.00 0.00 0.00 174.94 174.04 3d31 s ASP 256 N 0.02 6.64 0.00 3.58 1.11 -1.26 -0.41 116.67 126.35 3d31 s ASP 256 Ca -0.07 0.76 0.00 0.00 0.18 0.00 0.00 52.55 53.42 3d31 s ASP 256 Cb -0.14 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.63 3d31 s ASP 256 CO 0.04 0.21 0.00 0.00 1.18 0.00 0.00 175.17 176.60 3d31 n ALA 257 N 2.68 0.00 -2.77 5.23 0.00 -0.72 -4.57 120.51 120.36 3d31 n ALA 257 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 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 -1.16 0.39 0.00 0.00 0.00 -1.26 -0.96 121.76 118.76 3d31 s ALA 258 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3d31 s ALA 258 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3d31 s ALA 258 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3d31 n GLY 259 N 1.24 4.06 3.54 0.00 0.00 -0.48 -4.48 105.19 109.07 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 6.42 -0.01 1.61 -4.77 -1.26 -4.61 116.67 114.05 3d31 s ASP 260 Ca 0.00 -0.12 -0.19 0.00 -3.30 0.00 0.00 52.55 48.94 3d31 s ASP 260 Cb 0.00 -2.43 0.04 0.00 -1.09 0.00 0.00 42.92 39.43 3d31 s ASP 260 CO 0.00 -1.09 0.41 -0.04 0.70 0.00 0.00 175.17 175.15 3d31 s MET 261 N 3.73 0.81 0.24 2.11 1.00 -1.26 -5.11 119.30 120.82 3d31 s MET 261 Ca 0.33 -0.14 0.03 0.00 0.00 0.00 0.00 55.69 55.90 3d31 s MET 261 Cb -0.11 0.36 -0.03 0.00 0.00 0.00 0.00 34.83 35.05 3d31 s MET 261 CO 0.23 -0.24 0.39 -1.21 0.00 0.00 0.00 175.02 174.19 3d31 s GLU 262 N -1.57 3.46 0.49 2.03 8.01 -1.26 -4.83 118.70 125.03 3d31 s GLU 262 Ca -0.11 -0.58 -0.23 0.00 0.01 0.00 0.00 54.97 54.06 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 1.21 0.28 0.01 0.00 0.00 175.26 177.18 3d31 n VAL 263 N -1.23 3.12 -0.60 2.63 0.31 -1.26 -2.19 118.33 119.11 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 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.93 0.78 3.65 2.92 0.00 0.40 -4.98 105.19 108.88 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 -2.74 6.85 -0.43 1.61 1.01 -0.93 -4.83 116.67 117.21 3d31 s ASP 265 Ca 0.00 1.05 -0.28 0.00 0.71 0.00 0.00 52.55 54.03 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 1.51 -1.10 0.21 0.00 0.00 175.17 175.31 3d31 s GLN 266 N 2.63 3.43 0.47 8.23 -1.52 -1.26 -1.68 119.66 129.96 3d31 s GLN 266 Ca 0.35 0.93 0.04 0.00 -1.95 0.00 0.00 55.36 54.72 3d31 s GLN 266 Cb -0.16 -4.09 -0.04 0.00 -0.22 0.00 0.00 33.01 28.50 3d31 s GLN 266 CO 0.09 -1.75 0.01 0.14 -0.25 0.00 0.00 175.29 173.53 3d31 s VAL 267 N 6.01 1.52 -0.07 1.09 -7.23 0.86 -4.82 120.40 117.75 3d31 s VAL 267 Ca 0.64 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 3d31 s VAL 267 Cb -0.15 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3d31 s VAL 267 CO 0.31 0.00 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.60 3d31 s TYR 268 N -2.81 2.02 -0.20 2.82 1.51 0.72 -0.75 117.35 120.66 3d31 s TYR 268 Ca 0.18 -0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 55.52 3d31 s TYR 268 Cb 0.05 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 3d31 s TYR 268 CO 0.09 -0.29 -0.15 0.00 -1.11 0.00 0.00 175.55 174.10 3d31 s ALA 269 N 0.30 2.48 -0.07 3.71 0.00 -0.85 0.58 121.76 127.90 3d31 s ALA 269 Ca -0.12 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 3d31 s ALA 269 Cb -0.15 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 3d31 s ALA 269 CO 0.05 -0.49 0.37 -0.06 0.00 0.00 0.00 175.76 175.63 3d31 s PHE 270 N 1.31 3.61 -0.18 0.00 0.40 0.77 -0.87 117.98 123.03 3d31 s PHE 270 Ca 0.03 0.83 -0.04 0.00 -0.60 0.00 0.00 56.93 57.16 3d31 s PHE 270 Cb -0.14 -2.32 0.08 0.00 0.51 0.00 0.00 43.02 41.15 3d31 s PHE 270 CO -0.10 0.45 0.23 -1.17 0.70 0.00 0.00 175.22 175.34 3d31 s LEU 271 N -0.34 -0.17 0.42 -0.37 2.96 0.10 -2.20 118.68 119.09 3d31 s LEU 271 Ca 0.22 0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 3d31 s LEU 271 Cb -0.15 0.47 -0.09 0.00 0.50 0.00 0.00 46.19 46.92 3d31 s LEU 271 CO 0.09 -0.30 1.04 -0.13 -1.32 0.00 0.00 176.35 175.73 3d31 s ARG 272 N 2.35 4.11 0.54 1.98 0.52 -1.26 -2.54 118.95 124.64 3d31 s ARG 272 Ca 0.06 1.45 0.21 0.00 -0.52 0.00 0.00 55.73 56.93 3d31 s ARG 272 Cb -0.14 -2.44 1.39 0.00 0.52 0.00 0.00 34.95 34.28 3d31 s ARG 272 CO -0.11 -0.18 2.10 -1.35 0.02 0.00 0.00 175.30 175.79 3d31 h PRO 273 N 2.30 0.00 -0.47 3.54 0.11 -1.87 -1.09 132.00 134.51 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 0.62 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 3d31 n GLU 274 N -4.36 1.19 0.00 1.05 4.71 -1.26 -1.69 120.64 120.28 3d31 n GLU 274 Ca 0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 3d31 n GLU 274 Cb 0.28 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 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 -0.17 1.06 -4.68 1.62 5.03 -0.41 -5.00 115.26 112.72 3d31 n ASN 275 Ca 0.02 -1.31 -0.35 0.00 0.87 0.00 0.00 54.58 53.81 3d31 n ASN 275 Cb 0.17 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.83 3d31 n ASN 275 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3d31 s ILE 276 N -0.31 4.31 0.50 2.41 1.01 -1.16 -3.98 121.20 123.99 3d31 s ILE 276 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.45 3d31 s ILE 276 Cb 0.00 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 3d31 s ILE 276 CO 0.00 0.60 0.19 0.00 0.00 0.00 0.00 174.94 175.74 3d31 s ALA 277 N -0.83 4.11 -0.12 9.38 0.00 0.51 -4.57 121.76 130.24 3d31 s ALA 277 Ca 0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3d31 s ALA 277 Cb -0.11 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.72 3d31 s ALA 277 CO 0.02 -0.22 0.24 -0.51 0.00 0.00 0.00 175.76 175.29 3d31 s LEU 278 N -4.04 -0.24 0.25 0.00 1.43 -1.26 -2.48 118.68 112.35 3d31 s LEU 278 Ca 0.24 0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.90 3d31 s LEU 278 Cb 0.01 0.58 -0.05 0.00 0.03 0.00 0.00 46.19 46.76 3d31 s LEU 278 CO 0.14 -0.25 -0.13 -0.44 0.23 0.00 0.00 176.35 175.90 3d31 s SER 279 N 2.38 2.90 -0.44 2.29 0.01 -0.88 -4.96 113.70 115.00 3d31 s SER 279 Ca 0.02 -1.07 0.02 0.00 1.31 0.00 0.00 55.95 56.23 3d31 s SER 279 Cb -0.12 -0.19 0.54 0.00 0.21 0.00 0.00 66.02 66.45 3d31 s SER 279 CO -0.08 -0.16 1.86 1.17 0.41 0.00 0.00 173.24 176.43 3d31 n LYS 280 N -0.50 2.18 0.00 12.44 0.00 -1.26 -1.72 118.16 129.31 3d31 n LYS 280 Ca -0.07 -2.68 0.00 0.00 0.00 0.00 0.00 58.31 55.56 3d31 n LYS 280 Cb 0.61 -2.05 0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 -0.86 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 1.31 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.14 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 5.60 0.44 4.04 1.04 -1.26 -4.94 113.70 118.61 3d31 s SER 282 Ca 0.00 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.15 3d31 s SER 282 Cb 0.00 -2.02 0.02 0.00 0.10 0.00 0.00 66.02 64.11 3d31 s SER 282 CO 0.00 -0.14 0.60 -0.89 0.98 0.00 0.00 173.24 173.79 3d31 s THR 283 N 1.65 2.93 -0.79 2.02 2.01 -1.26 -5.04 115.64 117.17 3d31 s THR 283 Ca 0.06 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 60.90 3d31 s THR 283 Cb -0.16 -2.96 0.13 0.00 0.01 0.00 0.00 72.50 69.52 3d31 s THR 283 CO 0.07 0.00 0.93 -1.10 -0.69 0.00 0.00 174.62 173.83 3d31 s GLN 284 N -4.39 3.40 0.00 4.92 -0.21 -1.26 -4.97 119.66 117.14 3d31 s GLN 284 Ca 0.56 -1.68 0.00 0.00 0.02 0.00 0.00 55.36 54.25 3d31 s GLN 284 Cb -0.10 -4.58 0.00 0.00 1.00 0.00 0.00 33.01 29.34 3d31 s GLN 284 CO 0.34 -1.62 0.00 0.43 -2.12 0.00 0.00 175.29 172.31 3d31 n SER 285 N 6.11 0.17 -0.77 5.90 7.64 -1.26 -4.93 113.62 126.48 3d31 n SER 285 Ca 0.10 -0.90 0.03 0.00 1.01 0.00 0.00 58.87 59.10 3d31 n SER 285 Cb 0.46 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.55 2.08 -4.51 6.43 3.41 -1.26 -4.74 113.62 112.48 3d31 n SER 286 Ca 0.00 -2.20 -0.43 0.00 -0.26 0.00 0.00 58.87 55.98 3d31 n SER 286 Cb 0.00 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.59 4.90 0.15 -1.33 1.01 -1.26 -4.76 121.20 118.32 3d31 s ILE 287 Ca 0.16 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 3d31 s ILE 287 Cb 0.11 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.46 3d31 s ILE 287 CO 0.07 -0.52 1.62 0.03 0.00 0.00 0.00 174.94 176.13 3d31 h ARG 288 N 8.80 0.85 -5.41 2.79 2.47 -1.85 -3.43 114.38 118.60 3d31 h ARG 288 Ca -0.26 -0.25 -0.60 0.00 -1.26 0.00 0.00 59.98 57.61 3d31 h ARG 288 Cb 1.10 -0.09 -0.11 0.00 -1.65 0.00 0.00 29.97 29.23 3d31 h ARG 288 CO 0.86 0.87 -0.40 -0.80 0.56 0.00 0.00 179.97 181.06 3d31 s ASN 289 N -6.30 6.34 -0.30 7.04 0.01 -1.23 -4.83 114.94 115.67 3d31 s ASN 289 Ca -0.13 0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.41 3d31 s ASN 289 Cb 0.12 -2.14 0.19 0.00 0.41 0.00 0.00 41.25 39.83 3d31 s ASN 289 CO 0.81 0.15 0.60 -0.55 -1.51 0.00 0.00 177.10 176.60 3d31 s SER 290 N 0.35 -1.38 0.01 -1.22 0.15 -1.26 -2.46 113.70 107.89 3d31 s SER 290 Ca 0.13 0.86 0.07 0.00 0.70 0.00 0.00 55.95 57.71 3d31 s SER 290 Cb -0.12 2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 66.32 3d31 s SER 290 CO 0.01 -0.26 -0.19 -0.76 1.20 0.00 0.00 173.24 173.24 3d31 s LEU 291 N 2.86 2.50 0.85 3.45 1.43 0.11 -4.92 118.68 124.95 3d31 s LEU 291 Ca 0.21 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 3d31 s LEU 291 Cb -0.15 -1.47 0.12 0.00 0.03 0.00 0.00 46.19 44.71 3d31 s LEU 291 CO -0.21 0.28 1.21 -1.10 0.23 0.00 0.00 176.35 176.76 3d31 s GLN 292 N -1.16 1.56 0.00 1.70 -0.21 -1.26 0.26 119.66 120.55 3d31 s GLN 292 Ca 0.13 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.41 3d31 s GLN 292 Cb -0.10 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.97 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 3.54 3.86 3.09 0.00 -0.68 -4.06 105.19 107.51 3d31 n GLY 293 Ca 0.10 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.28 2.37 0.29 1.61 0.52 -1.03 0.11 118.95 120.53 3d31 s ARG 294 Ca 0.00 -1.77 -0.22 0.00 -0.52 0.00 0.00 55.73 53.22 3d31 s ARG 294 Cb 0.00 -2.20 -0.09 0.00 0.52 0.00 0.00 34.95 33.18 3d31 s ARG 294 CO 0.00 -0.33 0.83 0.08 0.02 0.00 0.00 175.30 175.91 3d31 s VAL 295 N -2.60 4.43 -0.11 3.52 1.01 -1.02 -0.81 120.40 124.82 3d31 s VAL 295 Ca 0.42 1.47 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 3d31 s VAL 295 Cb -0.01 -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 -0.25 0.41 0.00 0.00 0.00 175.10 175.59 3d31 n THR 296 N 0.40 1.34 -4.00 3.92 -1.04 0.38 -2.43 114.28 112.86 3d31 n THR 296 Ca 0.01 0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 62.15 3d31 n THR 296 Cb 0.51 -2.12 -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 -2.59 0.38 -0.32 -2.82 2.02 -1.17 -4.76 118.70 109.45 3d31 s GLU 297 Ca -0.21 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.07 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 -0.07 0.02 0.00 0.02 0.00 0.00 175.26 175.54 3d31 s ALA 298 N -2.02 2.76 -1.05 5.21 0.00 -1.26 -1.50 121.76 123.90 3d31 s ALA 298 Ca -0.11 -2.33 -0.15 0.00 0.00 0.00 0.00 51.96 49.37 3d31 s ALA 298 Cb -0.06 -1.87 0.17 0.00 0.00 0.00 0.00 23.12 21.36 3d31 s ALA 298 CO -0.03 -1.58 1.21 -1.58 0.00 0.00 0.00 175.76 173.78 3d31 s TRP 299 N 0.98 3.45 -0.04 0.00 0.52 0.38 -4.96 118.94 119.27 3d31 s TRP 299 Ca 0.07 -1.88 -0.33 0.00 0.02 0.00 0.00 56.10 53.98 3d31 s TRP 299 Cb -0.19 -4.21 -0.11 0.00 -1.15 0.00 0.00 33.47 27.81 3d31 s TRP 299 CO -0.08 -1.35 1.91 0.28 0.02 0.00 0.00 176.95 177.73 3d31 n VAL 300 N 4.72 0.63 -0.07 4.03 0.31 -1.26 -1.57 118.33 125.12 3d31 n VAL 300 Ca 0.28 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3d31 n VAL 300 Cb 0.45 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 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 6.87 0.00 0.00 7.52 7.94 -0.70 -4.93 117.00 133.70 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 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 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 -0.22 0.07 -3.96 0.00 -1.26 -4.68 105.19 100.13 3d31 n GLY 302 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 2.17 -1.99 4.61 0.00 -1.26 -4.91 120.51 116.13 3d31 n ALA 303 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 53.44 52.49 3d31 n ALA 303 Cb 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -5.19 3.39 -0.19 0.00 1.43 -1.26 0.20 118.68 117.06 3d31 s LEU 304 Ca -0.07 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3d31 s LEU 304 Cb 0.10 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.57 3d31 s LEU 304 CO 0.85 -1.02 0.09 -0.69 0.23 0.00 0.00 176.35 175.81 3d31 s VAL 305 N -2.64 -0.04 0.51 -1.59 1.01 0.77 -1.73 120.40 116.70 3d31 s VAL 305 Ca 0.56 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 3d31 s VAL 305 Cb -0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 3d31 s VAL 305 CO 0.37 -0.33 1.16 -0.13 0.00 0.00 0.00 175.10 176.16 3d31 s ARG 306 N 2.11 3.51 -0.11 2.72 0.52 -0.61 -1.63 118.95 125.46 3d31 s ARG 306 Ca 0.03 1.72 -0.07 0.00 -0.52 0.00 0.00 55.73 56.88 3d31 s ARG 306 Cb -0.16 -2.19 0.04 0.00 0.52 0.00 0.00 34.95 33.15 3d31 s ARG 306 CO -0.12 -0.74 0.27 0.08 0.02 0.00 0.00 175.30 174.81 3d31 s VAL 307 N -1.64 -0.02 -0.20 3.52 1.01 0.06 -0.47 120.40 122.65 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 -0.27 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3d31 s VAL 307 CO 0.31 0.03 0.03 -0.54 0.00 0.00 0.00 175.10 174.94 3d31 s LYS 308 N 0.83 3.73 0.13 2.72 1.02 -0.56 -0.42 119.74 127.19 3d31 s LYS 308 Ca -0.06 -0.46 0.10 0.00 0.02 0.00 0.00 55.97 55.57 3d31 s LYS 308 Cb -0.07 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3d31 s LYS 308 CO -0.05 0.05 -0.21 0.08 -0.92 0.00 0.00 175.35 174.29 3d31 s VAL 309 N 0.94 2.64 -0.38 3.17 1.01 -0.23 0.14 120.40 127.69 3d31 s VAL 309 Ca 0.02 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 60.36 3d31 s VAL 309 Cb -0.14 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.13 3d31 s VAL 309 CO 0.02 0.08 0.14 -0.62 0.00 0.00 0.00 175.10 174.72 3d31 s ASP 310 N -2.17 5.11 -0.39 3.32 -1.08 0.01 -1.62 116.67 119.86 3d31 s ASP 310 Ca 0.17 -1.90 0.05 0.00 -0.52 0.00 0.00 52.55 50.36 3d31 s ASP 310 Cb -0.10 -1.78 0.44 0.00 -1.46 0.00 0.00 42.92 40.03 3d31 s ASP 310 CO 0.09 -0.46 1.27 0.00 0.52 0.00 0.00 175.17 176.59 3d31 n GLY 312 N -0.66 3.01 2.81 0.00 0.00 -1.26 -4.81 105.19 104.28 3d31 n GLY 312 Ca 0.45 0.00 -0.21 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 -1.19 0.41 0.12 1.61 1.01 -1.26 -4.58 120.40 116.52 3d31 s VAL 313 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 3d31 s VAL 313 Cb 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 36.38 35.76 3d31 s VAL 313 CO 0.00 0.24 1.86 -2.65 0.00 0.00 0.00 175.10 174.55 3d31 n PRO 314 N 4.73 2.83 -4.67 2.72 -0.02 -1.26 -4.62 135.00 134.70 3d31 n PRO 314 Ca -0.14 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 2.89 1.90 -0.42 2.45 1.43 -0.64 -4.98 118.68 121.31 3d31 s LEU 315 Ca 0.82 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 3d31 s LEU 315 Cb -0.47 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 44.98 3d31 s LEU 315 CO 0.37 0.14 0.32 0.20 0.23 0.00 0.00 176.35 177.61 3d31 s ASN 316 N -0.01 6.12 0.14 2.29 0.01 -1.26 -1.07 114.94 121.15 3d31 s ASN 316 Ca -0.01 -0.99 0.05 0.00 -0.71 0.00 0.00 52.86 51.19 3d31 s ASN 316 Cb -0.09 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 3d31 s ASN 316 CO 0.01 -0.49 0.10 -0.69 -1.51 0.00 0.00 177.10 174.51 3d31 s VAL 317 N 1.67 4.39 -0.04 1.60 1.01 0.44 -3.84 120.40 125.62 3d31 s VAL 317 Ca 0.05 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3d31 s VAL 317 Cb -0.20 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3d31 s VAL 317 CO 0.09 -0.03 -0.21 -0.22 0.00 0.00 0.00 175.10 174.73 3d31 s LEU 318 N -2.84 2.00 0.02 3.92 2.96 -0.68 -0.76 118.68 123.30 3d31 s LEU 318 Ca 0.30 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3d31 s LEU 318 Cb -0.11 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 3d31 s LEU 318 CO 0.22 0.21 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.82 3d31 s ILE 319 N -0.16 0.12 0.26 6.68 1.01 -0.65 -4.72 121.20 123.74 3d31 s ILE 319 Ca -0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 3d31 s ILE 319 Cb -0.12 -0.45 -0.11 0.00 0.01 0.00 0.00 42.46 41.80 3d31 s ILE 319 CO 0.02 -0.55 1.50 0.42 0.00 0.00 0.00 174.94 176.32 3d31 s THR 320 N -1.79 2.45 0.36 2.92 -4.23 -1.26 0.27 115.64 114.36 3d31 s THR 320 Ca -0.13 0.37 0.13 0.00 -1.18 0.00 0.00 61.69 60.89 3d31 s THR 320 Cb -0.07 -3.24 0.35 0.00 1.34 0.00 0.00 72.50 70.88 3d31 s THR 320 CO -0.02 0.06 1.79 -0.09 -0.54 0.00 0.00 174.62 175.82 3d31 h ARG 321 N 5.02 0.53 -0.62 3.99 2.43 0.20 -1.62 114.38 124.31 3d31 h ARG 321 Ca -0.46 -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 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3d31 h ARG 321 CO 0.79 0.35 0.18 -0.09 -1.51 0.00 0.00 179.97 179.69 3d31 h ARG 322 N 0.55 0.97 -0.13 0.20 9.65 -1.89 -2.14 114.38 121.59 3d31 h ARG 322 Ca 0.56 -0.22 -0.08 0.00 -1.10 0.00 0.00 59.98 59.14 3d31 h ARG 322 Cb 1.19 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.62 3d31 h ARG 322 CO -0.31 0.86 -0.30 0.77 2.80 0.00 0.00 179.97 183.79 3d31 h SER 323 N 0.89 0.24 0.30 -3.80 0.02 -1.68 -1.53 113.55 107.98 3d31 h SER 323 Ca 0.20 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3d31 h SER 323 Cb 0.31 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3d31 h SER 323 CO -0.00 0.54 -0.00 0.00 -1.14 0.00 0.00 176.83 176.22 3d31 h ALA 324 N 1.48 1.02 0.02 3.77 0.00 -0.89 -0.93 119.26 123.73 3d31 h ALA 324 Ca 0.03 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.58 3d31 h ALA 324 Cb 0.65 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3d31 h ALA 324 CO 0.05 0.01 -2.18 0.39 0.00 0.00 0.00 179.25 177.51 3d31 n GLU 325 N -3.12 0.68 0.22 0.00 1.02 -0.63 -4.06 120.64 114.75 3d31 n GLU 325 Ca -0.02 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 3d31 n GLU 325 Cb 0.14 -1.62 0.51 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.94 -3.43 114.58 118.79 3d31 h GLU 326 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 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 0.03 0.25 0.00 -1.33 -1.00 0.00 0.00 179.01 176.96 3d31 n MET 327 N -3.79 2.34 -4.61 2.33 2.81 -0.40 -5.10 117.12 110.70 3d31 n MET 327 Ca -0.01 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 32.72 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 0.91 3.32 0.00 0.03 2.02 -1.26 -4.89 118.70 118.83 3d31 s GLU 328 Ca 0.00 -0.70 0.29 0.00 0.02 0.00 0.00 54.97 54.57 3d31 s GLU 328 Cb 0.00 -2.66 1.41 0.00 0.10 0.00 0.00 34.13 32.98 3d31 s GLU 328 CO 0.00 0.10 1.98 -0.11 0.02 0.00 0.00 175.26 177.25 3d31 n LEU 329 N 3.83 0.00 -4.50 1.80 7.94 -1.26 -4.86 117.00 119.95 3d31 n LEU 329 Ca -0.18 0.32 -0.54 0.00 -1.11 0.00 0.00 56.01 54.49 3d31 n LEU 329 Cb 0.52 -0.32 -0.08 0.00 0.53 0.00 0.00 43.42 44.07 3d31 n LEU 329 CO 0.30 -0.02 1.64 -1.20 -1.11 0.00 0.00 177.39 177.00 3d31 n SER 330 N -1.32 2.00 -4.58 1.96 7.64 -1.26 -4.77 113.62 113.30 3d31 n SER 330 Ca 0.12 0.68 -0.23 0.00 1.01 0.00 0.00 58.87 60.45 3d31 n SER 330 Cb 0.25 -1.16 -0.08 0.00 -1.01 0.00 0.00 64.21 62.20 3d31 n SER 330 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3d31 s PRO 331 N 5.31 1.99 0.00 1.43 0.02 -1.26 -1.76 135.00 140.72 3d31 s PRO 331 Ca 1.08 -0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.20 3d31 s PRO 331 Cb -1.03 -5.15 0.00 0.00 0.02 0.00 0.00 34.50 28.34 3d31 s PRO 331 CO 0.57 -4.58 0.00 0.41 -0.33 0.00 0.00 177.00 173.07 3d31 n GLY 332 N 5.93 -0.48 3.76 0.52 0.00 -1.02 -4.89 105.19 109.02 3d31 n GLY 332 Ca 0.43 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 2.76 0.47 1.61 1.01 -0.72 -4.57 120.40 120.95 3d31 s VAL 333 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 3d31 s VAL 333 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 3d31 s VAL 333 CO 0.00 0.16 1.39 -1.58 0.00 0.00 0.00 175.10 175.07 3d31 s GLN 334 N -1.37 3.60 0.08 2.72 0.74 -1.26 -2.44 119.66 121.72 3d31 s GLN 334 Ca 0.51 2.33 -0.13 0.00 0.05 0.00 0.00 55.36 58.12 3d31 s GLN 334 Cb -0.40 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.16 3d31 s GLN 334 CO 0.50 -0.86 0.31 0.42 -0.55 0.00 0.00 175.29 175.11 3d31 s ILE 335 N -1.24 0.09 -0.27 -2.34 1.01 0.30 -4.90 121.20 113.85 3d31 s ILE 335 Ca 0.63 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3d31 s ILE 335 Cb -0.42 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.02 3d31 s ILE 335 CO 0.53 -0.42 -0.07 -0.31 0.00 0.00 0.00 174.94 174.67 3d31 s TYR 336 N -3.22 3.24 -0.49 3.97 1.51 -0.70 -1.69 117.35 119.98 3d31 s TYR 336 Ca -0.00 -2.38 -0.23 0.00 -1.01 0.00 0.00 57.07 53.45 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 -0.08 -0.88 0.80 0.00 -1.11 0.00 0.00 175.55 174.29 3d31 s ALA 337 N 1.11 3.26 -0.13 3.71 0.00 0.14 -2.07 121.76 127.78 3d31 s ALA 337 Ca -0.05 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3d31 s ALA 337 Cb -0.20 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.39 3d31 s ALA 337 CO -0.06 -2.08 -0.20 -0.98 0.00 0.00 0.00 175.76 172.44 3d31 s ARG 338 N 3.38 3.13 0.01 0.00 1.70 -1.03 0.04 118.95 126.18 3d31 s ARG 338 Ca 0.27 -0.81 0.02 0.00 -0.47 0.00 0.00 55.73 54.74 3d31 s ARG 338 Cb -0.13 -2.47 -0.01 0.00 -0.57 0.00 0.00 34.95 31.77 3d31 s ARG 338 CO 0.20 0.09 -0.05 -0.59 -1.08 0.00 0.00 175.30 173.87 3d31 s PHE 339 N 0.58 0.48 0.35 5.89 -0.12 -1.03 -0.36 117.98 123.77 3d31 s PHE 339 Ca -0.11 -0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 56.30 3d31 s PHE 339 Cb -0.16 -0.30 -0.11 0.00 -0.63 0.00 0.00 43.02 41.81 3d31 s PHE 339 CO 0.03 -0.03 1.49 0.21 -0.05 0.00 0.00 175.22 176.87 3d31 s LYS 340 N -0.46 4.15 0.21 1.99 2.20 -1.26 -3.54 119.74 123.03 3d31 s LYS 340 Ca -0.01 2.52 -0.02 0.00 -0.36 0.00 0.00 55.97 58.10 3d31 s LYS 340 Cb -0.04 -3.00 0.16 0.00 -1.51 0.00 0.00 37.83 33.44 3d31 s LYS 340 CO -0.00 -0.51 1.54 0.00 -0.36 0.00 0.00 175.35 176.02 3d31 h ALA 341 N 3.55 0.76 0.00 3.13 0.00 -1.86 -3.03 119.26 121.82 3d31 h ALA 341 Ca -0.50 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3d31 h ALA 341 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3d31 h ALA 341 CO 0.68 0.68 0.00 -1.13 0.00 0.00 0.00 179.25 179.48 3d31 n SER 342 N -3.97 0.00 -0.48 0.00 3.41 -1.26 -2.15 113.62 109.16 3d31 n SER 342 Ca -0.03 -1.20 0.04 0.00 -0.26 0.00 0.00 58.87 57.43 3d31 n SER 342 Cb 0.58 0.00 0.12 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 -0.76 2.71 -4.34 4.04 3.41 -1.14 -4.87 113.62 112.67 3d31 n SER 343 Ca 0.10 -2.03 -0.40 0.00 -0.26 0.00 0.00 58.87 56.29 3d31 n SER 343 Cb 0.05 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.05 4.37 -0.12 -3.33 1.01 -0.92 -4.69 120.40 115.67 3d31 s VAL 344 Ca 0.18 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 3d31 s VAL 344 Cb 0.10 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3d31 s VAL 344 CO 0.12 -0.28 0.67 -2.28 0.00 0.00 0.00 175.10 173.33 3d31 s HIS 345 N 1.50 3.49 -0.10 5.22 2.46 -0.93 -4.35 115.29 122.58 3d31 s HIS 345 Ca 0.01 1.12 0.01 0.00 0.47 0.00 0.00 55.06 56.67 3d31 s HIS 345 Cb -0.20 -2.80 -0.02 0.00 -0.13 0.00 0.00 32.58 29.43 3d31 s HIS 345 CO 0.05 -0.02 -0.12 0.08 -2.47 0.00 0.00 174.74 172.27 3d31 s VAL 346 N 1.27 3.23 0.21 0.89 1.01 -1.26 -0.16 120.40 125.58 3d31 s VAL 346 Ca 0.34 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.79 3d31 s VAL 346 Cb -0.17 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 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 -0.09 2.51 0.00 3.92 1.43 0.20 -4.93 118.68 121.70 3d31 s LEU 347 Ca -0.01 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 3d31 s LEU 347 Cb -0.14 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.20 3d31 s LEU 347 CO 0.03 -0.04 0.13 -1.14 0.23 0.00 0.00 176.35 175.56