#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3d s SER 13 N 0.00 4.13 -0.15 -3.46 0.01 -1.26 -4.93 113.70 108.04 2b3d s SER 13 Ca 0.00 -0.93 -0.22 0.00 1.31 0.00 0.00 55.95 56.10 2b3d s SER 13 Cb 0.00 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 2b3d s SER 13 CO 0.00 -0.13 0.68 0.20 0.41 0.00 0.00 173.24 174.40 2b3d s ASN 14 N -3.66 6.82 -0.11 2.44 0.02 -1.26 -1.25 114.94 117.94 2b3d s ASN 14 Ca 0.33 1.00 0.03 0.00 -1.02 0.00 0.00 52.86 53.20 2b3d s ASN 14 Cb -0.02 -2.38 0.01 0.00 0.02 0.00 0.00 41.25 38.87 2b3d s ASN 14 CO 0.19 -0.24 -0.21 -0.63 0.02 0.00 0.00 177.10 176.22 2b3d s ILE 15 N 1.58 1.94 -0.26 0.60 1.01 0.17 -1.07 121.20 125.17 2b3d s ILE 15 Ca 0.33 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2b3d s ILE 15 Cb -0.16 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2b3d s ILE 15 CO 0.13 0.53 0.07 -0.22 0.00 0.00 0.00 174.94 175.45 2b3d s LEU 16 N 0.62 3.53 -0.25 2.97 2.96 -0.43 0.01 118.68 128.09 2b3d s LEU 16 Ca -0.13 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 2b3d s LEU 16 Cb -0.17 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2b3d s LEU 16 CO 0.03 -0.07 0.10 -0.63 -1.32 0.00 0.00 176.35 174.46 2b3d s ILE 17 N 1.59 4.68 -0.42 6.68 1.01 0.13 -0.57 121.20 134.30 2b3d s ILE 17 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2b3d s ILE 17 Cb -0.16 -3.19 0.07 0.00 0.01 0.00 0.00 42.46 39.19 2b3d s ILE 17 CO 0.03 0.34 0.28 -0.63 0.00 0.00 0.00 174.94 174.96 2b3d s ILE 18 N 1.42 4.56 -0.44 2.92 1.01 0.24 -1.38 121.20 129.53 2b3d s ILE 18 Ca 0.06 -1.20 -0.25 0.00 0.00 0.00 0.00 60.65 59.26 2b3d s ILE 18 Cb -0.15 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2b3d s ILE 18 CO 0.05 -0.47 0.88 0.21 0.00 0.00 0.00 174.94 175.62 2b3d s ASN 19 N 2.12 6.50 -0.08 3.58 3.04 -0.31 -1.70 114.94 128.09 2b3d s ASN 19 Ca 0.03 0.14 0.06 0.00 0.04 0.00 0.00 52.86 53.13 2b3d s ASN 19 Cb -0.22 -2.43 0.31 0.00 -1.54 0.00 0.00 41.25 37.37 2b3d s ASN 19 CO 0.04 -0.97 1.02 0.61 -3.04 0.00 0.00 177.10 174.76 2b3d n GLY 20 N 4.85 1.87 3.71 1.21 0.00 0.17 -1.97 105.19 115.03 2b3d n GLY 20 Ca 0.05 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2b3d n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3d n ALA 21 N 0.26 1.40 -3.51 4.61 0.00 -1.26 -4.65 120.51 117.37 2b3d n ALA 21 Ca 0.11 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2b3d n ALA 21 Cb 0.58 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 2b3d n ALA 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2b3d s LYS 22 N -2.37 0.40 -0.13 0.00 2.20 -1.26 -4.64 119.74 113.94 2b3d s LYS 22 Ca 0.63 0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 56.91 2b3d s LYS 22 Cb -0.48 0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2b3d s LYS 22 CO 0.56 -0.13 1.17 0.21 -0.36 0.00 0.00 175.35 176.80 2b3d s LYS 23 N 2.45 4.30 0.00 4.03 2.20 -1.26 -4.07 119.74 127.39 2b3d s LYS 23 Ca -0.04 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 2b3d s LYS 23 Cb -0.08 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2b3d s LYS 23 CO -0.18 -0.56 0.00 0.34 -0.36 0.00 0.00 175.35 174.59 2b3d n PHE 24 N 5.90 0.00 -1.34 4.03 -0.00 0.37 -4.96 117.46 121.46 2b3d n PHE 24 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.54 2b3d n PHE 24 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 2b3d n PHE 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2b3d n ALA 25 N -0.00 -1.29 0.00 3.13 0.00 -1.26 -0.80 120.51 120.28 2b3d n ALA 25 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2b3d n ALA 25 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2b3d n ALA 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2b3d n HIS 26 N 0.51 0.00 -3.30 0.00 8.25 -1.26 -4.97 115.22 114.45 2b3d n HIS 26 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 2b3d n HIS 26 Cb 0.15 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 2b3d n HIS 26 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2b3d s SER 27 N 0.12 6.58 -0.00 0.41 0.01 0.02 -4.93 113.70 115.91 2b3d s SER 27 Ca 0.00 0.69 0.12 0.00 1.31 0.00 0.00 55.95 58.07 2b3d s SER 27 Cb 0.00 -2.28 -0.14 0.00 0.21 0.00 0.00 66.02 63.82 2b3d s SER 27 CO 0.00 -0.09 0.48 0.59 0.41 0.00 0.00 173.24 174.63 2b3d n ASN 28 N 4.29 0.73 0.00 2.44 4.13 -1.26 0.14 115.26 125.73 2b3d n ASN 28 Ca -0.06 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.50 2b3d n ASN 28 Cb 0.51 1.06 0.00 0.00 -1.54 0.00 0.00 39.78 39.81 2b3d n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2b3d n GLY 29 N 1.33 0.42 0.21 7.41 0.00 -1.26 -4.13 105.19 109.18 2b3d n GLY 29 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2b3d n GLY 29 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2b3d h GLN 30 N 1.09 0.70 -0.67 1.61 4.15 -1.94 -2.18 115.11 117.87 2b3d h GLN 30 Ca 0.00 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.10 2b3d h GLN 30 Cb 0.24 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2b3d h GLN 30 CO 0.00 0.90 0.34 1.25 -1.93 0.00 0.00 178.83 179.39 2b3d h LEU 31 N 0.48 0.85 -0.81 -2.39 5.85 -1.99 -0.00 115.31 117.29 2b3d h LEU 31 Ca 0.08 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 2b3d h LEU 31 Cb 0.68 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2b3d h LEU 31 CO 0.05 0.72 -0.46 0.78 -0.34 0.00 0.00 178.44 179.19 2b3d h ASN 32 N 0.92 0.33 -0.44 1.25 4.21 -1.97 0.16 115.58 120.04 2b3d h ASN 32 Ca 0.23 -0.15 -0.08 0.00 1.21 0.00 0.00 56.30 57.51 2b3d h ASN 32 Cb 0.08 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 2b3d h ASN 32 CO -0.03 0.75 -0.02 0.44 -1.29 0.00 0.00 177.43 177.27 2b3d h ASP 33 N 0.25 0.78 0.41 5.81 3.45 -1.10 -0.21 116.42 125.81 2b3d h ASP 33 Ca 0.02 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.14 2b3d h ASP 33 Cb 0.91 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 2b3d h ASP 33 CO 0.07 0.91 -0.25 0.74 -1.57 0.00 0.00 179.24 179.15 2b3d h THR 34 N 0.63 0.47 0.00 0.35 2.02 -0.66 -0.43 112.91 115.29 2b3d h THR 34 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 2b3d h THR 34 Cb 0.53 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2b3d h THR 34 CO 0.03 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.72 2b3d h LEU 35 N -0.64 0.00 -0.31 2.58 3.38 -0.90 0.32 115.31 119.73 2b3d h LEU 35 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2b3d h LEU 35 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2b3d h LEU 35 CO 0.05 0.12 -0.07 0.74 0.09 0.00 0.00 178.44 179.37 2b3d h THR 36 N 0.00 1.28 -0.41 0.22 2.02 -0.68 -0.11 112.91 115.22 2b3d h THR 36 Ca -0.00 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 2b3d h THR 36 Cb 0.22 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2b3d h THR 36 CO 0.02 0.36 -0.02 -0.08 0.37 0.00 0.00 175.52 176.16 2b3d h GLU 37 N 0.38 0.67 -0.57 6.66 4.81 0.46 0.32 114.58 127.31 2b3d h GLU 37 Ca 0.08 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2b3d h GLU 37 Cb 0.56 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2b3d h GLU 37 CO 0.03 0.70 0.12 0.28 -0.73 0.00 0.00 179.01 179.41 2b3d h VAL 38 N 0.63 1.25 -0.14 0.32 2.07 -0.08 -2.07 116.25 118.23 2b3d h VAL 38 Ca 0.13 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2b3d h VAL 38 Cb 0.42 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2b3d h VAL 38 CO 0.02 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.95 2b3d h ALA 39 N 1.01 0.19 -0.70 1.67 0.00 -0.52 -1.59 119.26 119.33 2b3d h ALA 39 Ca 0.18 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2b3d h ALA 39 Cb 0.38 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2b3d h ALA 39 CO 0.01 -0.12 0.31 0.22 0.00 0.00 0.00 179.25 179.67 2b3d h ASP 40 N -0.01 0.37 -0.02 0.00 -0.00 -0.80 0.13 116.42 116.08 2b3d h ASP 40 Ca 0.04 0.08 -0.04 0.00 -0.00 0.00 0.00 57.03 57.10 2b3d h ASP 40 Cb 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 2b3d h ASP 40 CO 0.01 0.20 -0.16 1.23 -0.00 0.00 0.00 179.24 180.51 2b3d h GLY 41 N 0.52 0.16 0.91 -0.78 0.00 -1.35 -2.62 103.07 99.90 2b3d h GLY 41 Ca 0.35 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2b3d h GLY 41 CO -0.31 0.21 0.05 -0.84 0.00 0.00 0.00 176.54 175.66 2b3d h THR 42 N -0.48 0.98 -0.57 4.70 2.02 -1.10 -1.45 112.91 117.01 2b3d h THR 42 Ca -0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2b3d h THR 42 Cb 0.85 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2b3d h THR 42 CO 0.03 0.02 0.34 -0.07 0.37 0.00 0.00 175.52 176.22 2b3d h LEU 43 N 0.13 0.69 -1.02 2.58 3.38 -0.84 -1.74 115.31 118.48 2b3d h LEU 43 Ca 0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2b3d h LEU 43 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2b3d h LEU 43 CO -0.05 0.55 -0.18 0.03 0.09 0.00 0.00 178.44 178.88 2b3d h ARG 44 N 0.77 0.49 0.00 1.13 3.08 -1.35 -1.37 114.38 117.13 2b3d h ARG 44 Ca 0.21 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2b3d h ARG 44 Cb -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2b3d h ARG 44 CO -0.04 0.65 0.00 -0.25 -1.07 0.00 0.00 179.97 179.27 2b3d n ASP 45 N -4.17 0.60 -1.60 7.04 8.00 -0.56 -1.75 116.55 124.11 2b3d n ASP 45 Ca 0.00 0.63 0.08 0.00 0.71 0.00 0.00 54.79 56.22 2b3d n ASP 45 Cb 0.36 -0.77 0.35 0.00 -0.02 0.00 0.00 41.12 41.04 2b3d n ASP 45 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2b3d n LEU 46 N -2.15 4.78 0.00 0.64 4.77 -0.59 -4.93 117.00 119.52 2b3d n LEU 46 Ca 0.03 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 2b3d n LEU 46 Cb 0.25 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2b3d n LEU 46 CO 0.20 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2b3d n GLY 47 N 0.94 0.77 3.87 -0.72 0.00 -0.72 -4.82 105.19 104.52 2b3d n GLY 47 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2b3d n GLY 47 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b3d s HIS 48 N -2.99 3.52 -0.15 1.61 3.76 -0.78 -4.47 115.29 115.79 2b3d s HIS 48 Ca 0.00 0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 55.54 2b3d s HIS 48 Cb 0.00 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2b3d s HIS 48 CO 0.00 0.42 0.44 0.34 -0.85 0.00 0.00 174.74 175.09 2b3d s ASP 49 N -2.06 6.59 -0.05 1.40 2.15 -0.38 -3.83 116.67 120.49 2b3d s ASP 49 Ca 0.39 0.70 0.05 0.00 0.43 0.00 0.00 52.55 54.13 2b3d s ASP 49 Cb -0.13 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2b3d s ASP 49 CO 0.20 -0.02 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.29 2b3d s VAL 50 N 0.82 2.50 -0.03 1.11 1.01 -1.26 0.44 120.40 124.99 2b3d s VAL 50 Ca 0.23 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2b3d s VAL 50 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2b3d s VAL 50 CO 0.09 0.58 -0.23 -0.13 0.00 0.00 0.00 175.10 175.40 2b3d s ARG 51 N -0.43 2.08 -0.03 2.72 0.52 0.10 -4.96 118.95 118.96 2b3d s ARG 51 Ca 0.04 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 2b3d s ARG 51 Cb -0.12 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 2b3d s ARG 51 CO 0.02 0.42 -0.18 0.42 0.02 0.00 0.00 175.30 175.99 2b3d s ILE 52 N -0.34 1.49 -0.01 1.52 1.01 -1.26 0.21 121.20 123.83 2b3d s ILE 52 Ca 0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 2b3d s ILE 52 Cb -0.11 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.11 2b3d s ILE 52 CO 0.01 0.43 0.02 0.54 0.00 0.00 0.00 174.94 175.93 2b3d s VAL 53 N -0.22 -0.01 -0.23 2.92 0.11 -0.48 -4.97 120.40 117.51 2b3d s VAL 53 Ca 0.02 0.05 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 2b3d s VAL 53 Cb -0.09 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 2b3d s VAL 53 CO 0.01 0.02 0.54 -0.13 -3.33 0.00 0.00 175.10 172.21 2b3d s ARG 54 N 0.25 4.13 0.19 1.54 0.52 -1.26 -1.16 118.95 123.16 2b3d s ARG 54 Ca -0.02 0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 55.48 2b3d s ARG 54 Cb -0.03 -3.61 0.16 0.00 0.52 0.00 0.00 34.95 31.99 2b3d s ARG 54 CO -0.01 -0.28 1.79 0.00 0.02 0.00 0.00 175.30 176.82 2b3d h ALA 55 N 7.75 0.70 0.00 2.13 0.00 -1.74 -2.91 119.26 125.19 2b3d h ALA 55 Ca -0.31 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 2b3d h ALA 55 Cb 1.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2b3d h ALA 55 CO 0.74 -0.07 1.07 -3.47 0.00 0.00 0.00 179.25 177.52 2b3d n ASP 56 N -4.87 4.41 -3.63 0.00 4.64 -1.26 -4.78 116.55 111.06 2b3d n ASP 56 Ca 0.05 -2.24 -0.17 0.00 -1.38 0.00 0.00 54.79 51.05 2b3d n ASP 56 Cb 0.15 -1.05 -0.09 0.00 -1.04 0.00 0.00 41.12 39.09 2b3d n ASP 56 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 2b3d s SER 57 N 2.63 1.19 -1.17 1.67 1.04 -1.10 -5.05 113.70 112.92 2b3d s SER 57 Ca 0.45 -1.64 -0.04 0.00 0.48 0.00 0.00 55.95 55.20 2b3d s SER 57 Cb 0.18 0.50 0.24 0.00 0.10 0.00 0.00 66.02 67.03 2b3d s SER 57 CO -0.02 -0.99 1.90 -0.67 0.98 0.00 0.00 173.24 174.44 2b3d n ASP 58 N -1.14 6.88 -4.73 7.02 4.64 -1.26 -5.00 116.55 122.95 2b3d n ASP 58 Ca 0.06 -3.37 -0.32 0.00 -1.38 0.00 0.00 54.79 49.78 2b3d n ASP 58 Cb 0.63 -1.30 0.11 0.00 -1.04 0.00 0.00 41.12 39.52 2b3d n ASP 58 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 2b3d s TYR 59 N -2.24 2.19 -0.40 -0.67 -0.85 -1.26 -4.99 117.35 109.13 2b3d s TYR 59 Ca 0.41 1.64 -0.17 0.00 -0.52 0.00 0.00 57.07 58.43 2b3d s TYR 59 Cb 0.14 -3.23 0.01 0.00 0.38 0.00 0.00 41.96 39.25 2b3d s TYR 59 CO -0.03 -2.24 0.41 0.34 -1.52 0.00 0.00 175.55 172.51 2b3d s ASP 60 N -2.80 6.19 0.22 -0.18 2.15 -1.26 -4.97 116.67 116.02 2b3d s ASP 60 Ca 0.66 -0.57 -0.08 0.00 0.43 0.00 0.00 52.55 52.99 2b3d s ASP 60 Cb -0.22 -2.21 0.35 0.00 -0.30 0.00 0.00 42.92 40.54 2b3d s ASP 60 CO 0.52 -0.51 1.69 1.62 -0.17 0.00 0.00 175.17 178.33 2b3d h VAL 61 N 5.67 0.58 -0.67 1.11 3.04 -1.94 -0.03 116.25 124.02 2b3d h VAL 61 Ca -0.27 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 2b3d h VAL 61 Cb 1.12 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 2b3d h VAL 61 CO 0.77 0.05 0.35 0.11 -1.01 0.00 0.00 177.57 177.83 2b3d h LYS 62 N 0.25 0.95 0.00 4.17 1.57 -1.95 -1.44 116.57 120.11 2b3d h LYS 62 Ca 0.35 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2b3d h LYS 62 Cb 0.55 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2b3d h LYS 62 CO -0.45 0.73 -0.27 0.00 -0.57 0.00 0.00 179.45 178.88 2b3d h ALA 63 N 1.17 1.47 -0.36 3.86 0.00 -1.69 -1.98 119.26 121.72 2b3d h ALA 63 Ca 0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2b3d h ALA 63 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2b3d h ALA 63 CO -0.03 0.34 -0.24 0.93 0.00 0.00 0.00 179.25 180.24 2b3d h GLU 64 N 0.00 0.81 -0.88 0.00 4.39 -0.14 -1.63 114.58 117.13 2b3d h GLU 64 Ca -0.00 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.34 2b3d h GLU 64 Cb 0.51 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2b3d h GLU 64 CO 0.04 1.02 0.57 0.28 -1.16 0.00 0.00 179.01 179.75 2b3d h VAL 65 N 0.60 1.18 -0.11 3.13 2.07 -0.82 0.10 116.25 122.41 2b3d h VAL 65 Ca 0.07 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2b3d h VAL 65 Cb 0.81 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2b3d h VAL 65 CO 0.07 0.21 -0.06 1.56 0.02 0.00 0.00 177.57 179.37 2b3d h GLN 66 N 1.14 0.16 -0.58 1.57 1.08 -1.05 -1.32 115.11 116.10 2b3d h GLN 66 Ca 0.34 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 2b3d h GLN 66 Cb -0.06 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2b3d h GLN 66 CO -0.09 0.23 0.03 -0.91 -0.95 0.00 0.00 178.83 177.14 2b3d h ASN 67 N 0.15 0.95 -0.42 1.46 2.35 -0.02 -1.29 115.58 118.76 2b3d h ASN 67 Ca 0.04 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.42 2b3d h ASN 67 Cb 0.21 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2b3d h ASN 67 CO 0.01 0.98 -0.20 -0.26 -1.65 0.00 0.00 177.43 176.31 2b3d h PHE 68 N 0.91 1.05 -0.47 1.19 0.04 -0.67 0.82 116.94 119.81 2b3d h PHE 68 Ca 0.17 -0.24 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 2b3d h PHE 68 Cb 0.48 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2b3d h PHE 68 CO 0.03 1.03 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.65 2b3d h LEU 69 N 0.80 0.80 -0.47 1.54 3.38 -1.15 -2.90 115.31 117.31 2b3d h LEU 69 Ca 0.11 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 2b3d h LEU 69 Cb 0.76 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2b3d h LEU 69 CO 0.06 0.90 -0.48 -0.25 0.09 0.00 0.00 178.44 178.76 2b3d h TRP 70 N 0.75 0.88 -3.85 1.13 7.01 -0.94 -3.45 115.95 117.47 2b3d h TRP 70 Ca 0.13 -0.29 -0.51 0.00 2.11 0.00 0.00 58.89 60.34 2b3d h TRP 70 Cb 0.54 -0.18 0.03 0.00 -2.10 0.00 0.00 29.16 27.46 2b3d h TRP 70 CO 0.03 1.06 0.52 0.00 -2.79 0.00 0.00 178.44 177.25 2b3d s ALA 71 N -4.17 3.38 -0.13 2.65 0.00 0.26 -4.74 121.76 119.00 2b3d s ALA 71 Ca -0.09 0.99 0.16 0.00 0.00 0.00 0.00 51.96 53.02 2b3d s ALA 71 Cb 0.11 -3.37 -0.24 0.00 0.00 0.00 0.00 23.12 19.62 2b3d s ALA 71 CO 0.86 -0.34 0.33 -0.25 0.00 0.00 0.00 175.76 176.37 2b3d n ASP 72 N 0.86 0.36 -3.85 0.00 8.00 -0.23 -4.92 116.55 116.77 2b3d n ASP 72 Ca 0.00 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 2b3d n ASP 72 Cb 0.44 0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 42.00 2b3d n ASP 72 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2b3d s VAL 73 N -2.58 0.02 -0.17 2.53 1.01 -1.05 -0.57 120.40 119.60 2b3d s VAL 73 Ca -0.08 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2b3d s VAL 73 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.39 2b3d s VAL 73 CO 0.83 0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 175.13 2b3d s VAL 74 N 0.29 2.69 -0.21 2.92 1.01 0.56 -1.32 120.40 126.34 2b3d s VAL 74 Ca -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2b3d s VAL 74 Cb -0.04 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2b3d s VAL 74 CO -0.01 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 174.96 2b3d s ILE 75 N 0.99 3.79 -0.55 2.22 1.01 0.26 0.00 121.20 128.92 2b3d s ILE 75 Ca -0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 2b3d s ILE 75 Cb -0.15 -2.72 0.13 0.00 0.01 0.00 0.00 42.46 39.74 2b3d s ILE 75 CO -0.03 0.42 0.51 0.26 0.00 0.00 0.00 174.94 176.10 2b3d s TRP 76 N 1.16 3.26 -0.30 3.97 0.52 0.45 -0.59 118.94 127.41 2b3d s TRP 76 Ca 0.03 -1.31 -0.18 0.00 0.02 0.00 0.00 56.10 54.66 2b3d s TRP 76 Cb -0.14 -3.80 -0.02 0.00 -1.15 0.00 0.00 33.47 28.36 2b3d s TRP 76 CO 0.01 -1.02 0.52 -1.14 0.02 0.00 0.00 176.95 175.34 2b3d s GLN 77 N 1.57 3.88 -0.04 4.98 2.00 -0.69 -1.19 119.66 130.17 2b3d s GLN 77 Ca 0.03 0.13 -0.30 0.00 -2.00 0.00 0.00 55.36 53.23 2b3d s GLN 77 Cb -0.30 -3.72 0.08 0.00 0.80 0.00 0.00 33.01 29.88 2b3d s GLN 77 CO 0.03 -0.49 0.74 0.00 -0.50 0.00 0.00 175.29 175.07 2b3d s MET 78 N 2.38 0.99 0.31 1.67 0.23 -0.46 0.45 119.30 124.87 2b3d s MET 78 Ca 0.21 0.10 -0.12 0.00 -1.03 0.00 0.00 55.69 54.85 2b3d s MET 78 Cb -0.15 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.53 2b3d s MET 78 CO 0.11 -0.34 0.68 -1.25 -2.03 0.00 0.00 175.02 172.19 2b3d s PRO 79 N -1.65 3.88 -0.06 3.16 0.04 -1.26 -2.11 135.00 136.99 2b3d s PRO 79 Ca -0.07 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 2b3d s PRO 79 Cb -0.00 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2b3d s PRO 79 CO 0.04 0.17 1.16 0.20 0.04 0.00 0.00 177.00 178.61 2b3d s GLY 80 N -2.52 2.17 -0.22 0.56 0.00 0.93 -4.37 107.32 103.87 2b3d s GLY 80 Ca 0.51 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.81 2b3d s GLY 80 CO 0.22 2.14 -0.05 -0.98 0.00 0.00 0.00 173.10 174.43 2b3d s TRP 81 N 2.13 2.19 -1.11 1.90 0.52 0.26 -4.79 118.94 120.05 2b3d s TRP 81 Ca 0.54 -1.57 -0.20 0.00 0.02 0.00 0.00 56.10 54.89 2b3d s TRP 81 Cb -0.23 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.58 2b3d s TRP 81 CO 0.21 -0.74 0.78 0.91 0.02 0.00 0.00 176.95 178.13 2b3d n TRP 82 N 4.73 -1.93 -1.06 -1.98 7.02 -1.26 -2.02 117.44 120.94 2b3d n TRP 82 Ca -0.12 0.47 -0.02 0.00 -1.02 0.00 0.00 57.50 56.81 2b3d n TRP 82 Cb 0.45 -3.38 -0.01 0.00 -2.42 0.00 0.00 31.31 25.95 2b3d n TRP 82 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2b3d n MET 83 N -4.06 -1.44 -0.40 -0.99 2.81 -1.26 -4.89 117.12 106.90 2b3d n MET 83 Ca -0.10 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 2b3d n MET 83 Cb 0.59 -4.57 0.00 0.00 -0.71 0.00 0.00 33.22 28.53 2b3d n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b3d n GLY 84 N -0.16 1.59 3.77 3.03 0.00 -0.86 -4.88 105.19 107.68 2b3d n GLY 84 Ca -0.02 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 2b3d n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3d s ALA 85 N -1.00 3.28 0.71 4.61 0.00 -1.26 0.93 121.76 129.02 2b3d s ALA 85 Ca 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 51.96 53.10 2b3d s ALA 85 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.63 2b3d s ALA 85 CO 0.00 -0.91 1.25 -2.14 0.00 0.00 0.00 175.76 173.97 2b3d s PRO 86 N -2.27 2.18 0.42 0.00 0.02 -1.26 -4.71 135.00 129.38 2b3d s PRO 86 Ca 0.57 1.93 0.15 0.00 0.02 0.00 0.00 61.00 63.67 2b3d s PRO 86 Cb -0.40 -1.82 1.03 0.00 0.02 0.00 0.00 34.50 33.33 2b3d s PRO 86 CO 0.51 -1.85 1.90 0.11 -0.33 0.00 0.00 177.00 177.34 2b3d h TRP 87 N -0.06 0.54 0.00 6.54 5.08 -1.93 0.22 115.95 126.35 2b3d h TRP 87 Ca -0.49 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.45 2b3d h TRP 87 Cb 1.32 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.30 2b3d h TRP 87 CO 0.44 0.19 -0.24 1.79 -1.28 0.00 0.00 178.44 179.34 2b3d h THR 88 N 0.45 0.94 0.12 0.12 1.35 -1.95 0.11 112.91 114.05 2b3d h THR 88 Ca 0.40 -0.91 -0.28 0.00 -0.55 0.00 0.00 66.41 65.07 2b3d h THR 88 Cb 0.90 1.53 0.02 0.00 -1.73 0.00 0.00 68.15 68.86 2b3d h THR 88 CO -0.14 0.24 -1.22 0.58 -0.25 0.00 0.00 175.52 174.73 2b3d h VAL 89 N 0.00 1.40 -0.39 6.82 2.07 -0.92 -2.48 116.25 122.75 2b3d h VAL 89 Ca -0.00 -2.74 -0.11 0.00 0.82 0.00 0.00 66.70 64.67 2b3d h VAL 89 Cb 0.51 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 2b3d h VAL 89 CO 0.03 0.81 -0.19 0.50 0.02 0.00 0.00 177.57 178.75 2b3d h LYS 90 N 0.16 0.74 -0.23 1.57 1.63 -0.76 -2.35 116.57 117.33 2b3d h LYS 90 Ca -0.15 -0.28 -0.10 0.00 -0.85 0.00 0.00 60.65 59.27 2b3d h LYS 90 Cb 1.91 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.48 2b3d h LYS 90 CO 0.22 0.88 -0.27 -0.22 -3.45 0.00 0.00 179.45 176.60 2b3d h LYS 91 N 0.65 0.45 -0.63 1.90 3.64 -0.82 0.26 116.57 122.02 2b3d h LYS 91 Ca 0.10 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2b3d h LYS 91 Cb 0.68 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2b3d h LYS 91 CO 0.05 0.68 0.27 -0.92 -2.27 0.00 0.00 179.45 177.26 2b3d h TYR 92 N 0.39 0.95 0.26 1.91 5.03 -1.10 0.20 116.97 124.61 2b3d h TYR 92 Ca 0.06 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2b3d h TYR 92 Cb 0.68 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.68 2b3d h TYR 92 CO 0.02 0.74 -0.12 0.82 -1.32 0.00 0.00 178.16 178.30 2b3d h ILE 93 N 0.88 0.78 -0.31 1.81 2.04 -0.85 0.35 117.51 122.20 2b3d h ILE 93 Ca 0.21 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.50 2b3d h ILE 93 Cb 0.18 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2b3d h ILE 93 CO -0.02 0.13 0.22 0.44 0.00 0.00 0.00 178.15 178.93 2b3d h ASP 94 N -0.70 0.06 0.00 1.72 3.32 -0.38 -0.19 116.42 120.26 2b3d h ASP 94 Ca -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2b3d h ASP 94 Cb 0.48 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2b3d h ASP 94 CO 0.06 0.04 -0.28 0.44 -1.72 0.00 0.00 179.24 177.78 2b3d h ASP 95 N 0.07 0.00 0.01 6.45 3.45 -0.49 -3.34 116.42 122.56 2b3d h ASP 95 Ca 0.15 -0.68 -0.00 0.00 0.43 0.00 0.00 57.03 56.93 2b3d h ASP 95 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2b3d h ASP 95 CO -0.01 1.00 -0.00 0.58 -1.57 0.00 0.00 179.24 179.24 2b3d h VAL 96 N -1.00 1.59 -0.55 -1.35 2.07 -0.10 -2.42 116.25 114.49 2b3d h VAL 96 Ca -0.07 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.67 2b3d h VAL 96 Cb 0.87 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 2b3d h VAL 96 CO -0.04 0.46 0.32 -0.26 0.02 0.00 0.00 177.57 178.08 2b3d h PHE 97 N -0.79 0.61 -0.32 1.57 -1.00 -1.19 0.32 116.94 116.14 2b3d h PHE 97 Ca -0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2b3d h PHE 97 Cb 0.77 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 2b3d h PHE 97 CO 0.20 0.34 0.21 1.15 -1.61 0.00 0.00 178.31 178.60 2b3d h THR 98 N 0.64 1.09 0.00 -1.55 2.02 -1.67 0.24 112.91 113.68 2b3d h THR 98 Ca 0.22 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2b3d h THR 98 Cb 0.04 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2b3d h THR 98 CO -0.11 0.08 -0.09 -0.08 0.37 0.00 0.00 175.52 175.70 2b3d h GLU 99 N 0.44 0.00 0.00 6.66 4.57 -0.91 -1.64 114.58 123.69 2b3d h GLU 99 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2b3d h GLU 99 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2b3d h GLU 99 CO -0.03 0.09 0.00 0.41 -1.18 0.00 0.00 179.01 178.31 2b3d n GLY 100 N -1.02 -0.24 3.69 1.92 0.00 0.11 -4.75 105.19 104.91 2b3d n GLY 100 Ca -0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2b3d n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2b3d s HIS 101 N -2.00 2.56 0.00 1.61 5.04 -0.62 0.82 115.29 122.70 2b3d s HIS 101 Ca 0.09 0.39 0.00 0.00 -1.54 0.00 0.00 55.06 54.00 2b3d s HIS 101 Cb 0.04 -3.95 0.00 0.00 0.04 0.00 0.00 32.58 28.71 2b3d s HIS 101 CO 0.07 -3.75 0.00 0.41 -2.34 0.00 0.00 174.74 169.13 2b3d n GLY 102 N 3.94 3.10 0.35 1.59 0.00 -0.24 -4.80 105.19 109.13 2b3d n GLY 102 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2b3d n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b3d n THR 103 N -1.25 0.00 -0.02 2.61 -2.24 -0.53 -4.84 114.28 108.00 2b3d n THR 103 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2b3d n THR 103 Cb 0.00 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 2b3d n THR 103 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2b3d n LEU 104 N -2.51 0.55 -3.57 3.22 4.77 0.24 -4.58 117.00 115.13 2b3d n LEU 104 Ca 0.00 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 2b3d n LEU 104 Cb 0.41 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2b3d n LEU 104 CO 0.00 0.30 0.32 -0.72 -1.33 0.00 0.00 177.39 175.96 2b3d s TYR 105 N -2.76 -0.51 -0.23 -1.77 1.13 -1.17 -0.99 117.35 111.05 2b3d s TYR 105 Ca -0.06 0.77 0.03 0.00 -1.41 0.00 0.00 57.07 56.40 2b3d s TYR 105 Cb 0.08 0.34 -0.19 0.00 -1.10 0.00 0.00 41.96 41.09 2b3d s TYR 105 CO 0.83 -0.59 -0.09 0.00 -2.51 0.00 0.00 175.55 173.19 2b3d n ALA 106 N 0.79 1.38 -3.00 9.51 0.00 0.50 -1.08 120.51 128.61 2b3d n ALA 106 Ca -0.19 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.19 2b3d n ALA 106 Cb 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2b3d n ALA 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2b3d n SER 107 N -3.22 0.00 -0.29 0.00 3.41 -1.15 -4.82 113.62 107.55 2b3d n SER 107 Ca -0.42 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.25 2b3d n SER 107 Cb 1.02 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.59 2b3d n SER 107 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2b3d n ASP 108 N -0.01 0.89 0.00 4.04 5.68 -1.26 -3.62 116.55 122.27 2b3d n ASP 108 Ca 0.00 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 2b3d n ASP 108 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2b3d n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2b3d n GLY 109 N 1.06 2.79 3.69 6.12 0.00 -1.26 0.41 105.19 118.00 2b3d n GLY 109 Ca 0.19 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2b3d n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3d n ARG 110 N 0.00 2.11 -3.65 1.61 1.74 -1.26 -4.71 116.66 112.50 2b3d n ARG 110 Ca 0.00 0.74 -0.12 0.00 -0.77 0.00 0.00 57.85 57.70 2b3d n ARG 110 Cb 0.00 -2.37 -0.08 0.00 -1.02 0.00 0.00 32.46 29.00 2b3d n ARG 110 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2b3d s THR 111 N -0.58 -0.00 0.57 0.55 -1.32 -1.26 -5.02 115.64 108.58 2b3d s THR 111 Ca 0.61 0.01 0.28 0.00 -1.21 0.00 0.00 61.69 61.38 2b3d s THR 111 Cb -0.60 -0.92 0.34 0.00 -1.51 0.00 0.00 72.50 69.82 2b3d s THR 111 CO 0.56 0.00 2.24 0.03 -2.21 0.00 0.00 174.62 175.24 2b3d h ARG 112 N 5.64 0.00 0.00 7.08 2.47 -1.98 -0.26 114.38 127.33 2b3d h ARG 112 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2b3d h ARG 112 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2b3d h ARG 112 CO 0.12 0.01 0.00 1.63 0.56 0.00 0.00 179.97 182.29 2b3d n LYS 113 N -3.89 0.09 -3.25 0.04 5.02 -1.26 -4.43 118.16 110.49 2b3d n LYS 113 Ca -0.03 0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.40 2b3d n LYS 113 Cb 0.09 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 2b3d n LYS 113 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2b3d s ASP 114 N -3.52 -0.87 0.24 4.39 3.68 -0.11 -5.00 116.67 115.49 2b3d s ASP 114 Ca 0.10 -0.98 0.15 0.00 2.13 0.00 0.00 52.55 53.94 2b3d s ASP 114 Cb 0.14 1.62 0.81 0.00 -1.45 0.00 0.00 42.92 44.03 2b3d s ASP 114 CO 0.45 -0.19 1.42 -2.65 0.13 0.00 0.00 175.17 174.34 2b3d n PRO 115 N 4.37 0.10 0.18 4.34 -0.02 -1.22 -1.72 135.00 141.02 2b3d n PRO 115 Ca 0.11 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 2b3d n PRO 115 Cb 0.54 -1.88 0.30 0.00 -0.02 0.00 0.00 33.50 32.44 2b3d n PRO 115 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2b3d h SER 116 N 0.00 0.00 -3.32 2.55 0.87 -1.94 -3.44 113.55 108.27 2b3d h SER 116 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2b3d h SER 116 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2b3d h SER 116 CO 0.00 0.42 0.47 -0.54 -0.53 0.00 0.00 176.83 176.65 2b3d s LYS 117 N -3.62 4.49 0.40 2.24 1.02 -0.70 -5.04 119.74 118.53 2b3d s LYS 117 Ca -0.00 1.46 0.08 0.00 0.02 0.00 0.00 55.97 57.52 2b3d s LYS 117 Cb 0.11 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2b3d s LYS 117 CO 0.70 -0.18 0.25 0.15 -0.92 0.00 0.00 175.35 175.36 2b3d s LYS 118 N 1.40 2.38 0.20 1.68 -0.14 -1.26 -4.30 119.74 119.69 2b3d s LYS 118 Ca 0.52 -1.67 -0.32 0.00 -1.36 0.00 0.00 55.97 53.14 2b3d s LYS 118 Cb -0.21 -2.17 -0.15 0.00 -1.68 0.00 0.00 37.83 33.62 2b3d s LYS 118 CO 0.25 -0.10 1.23 0.98 -0.76 0.00 0.00 175.35 176.94 2b3d n TYR 119 N -1.34 1.56 -0.03 3.18 9.36 -1.25 -2.08 117.16 126.56 2b3d n TYR 119 Ca 0.00 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2b3d n TYR 119 Cb 0.63 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 2b3d n TYR 119 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2b3d n GLY 120 N 1.99 0.40 0.97 2.98 0.00 0.17 -4.94 105.19 106.76 2b3d n GLY 120 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 2b3d n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b3d n SER 121 N 0.00 2.82 -1.42 1.61 3.41 -0.88 -4.35 113.62 114.80 2b3d n SER 121 Ca 0.00 -1.98 0.05 0.00 -0.26 0.00 0.00 58.87 56.68 2b3d n SER 121 Cb 0.00 -0.33 0.27 0.00 -0.26 0.00 0.00 64.21 63.89 2b3d n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b3d n GLY 122 N 1.35 2.46 3.77 5.00 0.00 -1.20 -4.60 105.19 111.98 2b3d n GLY 122 Ca 0.18 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 2b3d n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3d s GLY 123 N -0.53 1.86 -0.00 -0.02 0.00 -1.17 -0.37 107.32 107.09 2b3d s GLY 123 Ca 0.36 0.37 0.07 0.00 0.00 0.00 0.00 44.72 45.53 2b3d s GLY 123 CO 0.11 0.72 0.26 1.04 0.00 0.00 0.00 173.10 175.23 2b3d n LEU 124 N -3.08 0.24 -2.51 0.66 4.77 -0.16 -4.67 117.00 112.25 2b3d n LEU 124 Ca 0.10 -0.38 -0.31 0.00 -0.03 0.00 0.00 56.01 55.39 2b3d n LEU 124 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2b3d n LEU 124 CO 0.51 0.06 0.69 1.33 -1.33 0.00 0.00 177.39 178.66 2b3d n VAL 125 N -1.30 2.87 -1.86 4.08 0.24 -0.68 -4.95 118.33 116.72 2b3d n VAL 125 Ca 0.01 -4.43 -0.38 0.00 -2.04 0.00 0.00 64.34 57.49 2b3d n VAL 125 Cb 0.12 -1.23 0.03 0.00 -1.47 0.00 0.00 33.84 31.29 2b3d n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2b3d s GLN 126 N -3.73 3.35 0.00 7.34 1.11 -1.25 -2.49 119.66 123.98 2b3d s GLN 126 Ca 0.51 2.19 0.00 0.00 0.01 0.00 0.00 55.36 58.08 2b3d s GLN 126 Cb 0.42 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 30.06 2b3d s GLN 126 CO -0.19 -1.01 0.00 0.41 0.01 0.00 0.00 175.29 174.50 2b3d n GLY 127 N 0.66 2.87 3.84 3.09 0.00 -1.26 -4.98 105.19 109.41 2b3d n GLY 127 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2b3d n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3d s LYS 128 N -0.30 4.10 0.33 1.61 1.02 -1.04 -4.94 119.74 120.53 2b3d s LYS 128 Ca 0.00 0.87 0.09 0.00 0.02 0.00 0.00 55.97 56.95 2b3d s LYS 128 Cb 0.00 -2.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2b3d s LYS 128 CO 0.00 0.07 -0.02 0.15 -0.92 0.00 0.00 175.35 174.62 2b3d s LYS 129 N -3.09 2.03 0.02 1.68 -0.14 0.26 -1.60 119.74 118.91 2b3d s LYS 129 Ca 0.58 -1.73 -0.03 0.00 -1.36 0.00 0.00 55.97 53.43 2b3d s LYS 129 Cb -0.10 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 2b3d s LYS 129 CO 0.16 0.18 0.04 1.52 -0.76 0.00 0.00 175.35 176.49 2b3d s TYR 130 N -2.50 0.23 -0.02 3.18 -0.85 -0.76 -0.33 117.35 116.30 2b3d s TYR 130 Ca 0.34 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.35 2b3d s TYR 130 Cb -0.01 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.16 2b3d s TYR 130 CO 0.19 -0.27 0.09 1.41 -1.52 0.00 0.00 175.55 175.44 2b3d s MET 131 N -1.98 0.20 -0.12 -3.49 1.75 0.10 -1.51 119.30 114.24 2b3d s MET 131 Ca -0.11 -0.05 -0.05 0.00 -1.25 0.00 0.00 55.69 54.23 2b3d s MET 131 Cb -0.05 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.66 2b3d s MET 131 CO -0.02 -0.03 0.07 -0.51 -0.65 0.00 0.00 175.02 173.87 2b3d s LEU 132 N -0.37 3.95 -0.23 4.11 1.43 -1.26 -0.41 118.68 125.89 2b3d s LEU 132 Ca -0.04 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2b3d s LEU 132 Cb -0.03 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.31 2b3d s LEU 132 CO 0.00 0.35 0.02 -0.55 0.23 0.00 0.00 176.35 176.39 2b3d s SER 133 N -0.66 3.44 0.22 2.29 0.15 -0.33 -0.82 113.70 117.98 2b3d s SER 133 Ca 0.12 -1.09 0.09 0.00 0.70 0.00 0.00 55.95 55.77 2b3d s SER 133 Cb -0.12 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.30 2b3d s SER 133 CO 0.02 -0.30 -0.05 -0.76 1.20 0.00 0.00 173.24 173.35 2b3d s LEU 134 N 1.65 3.09 -0.08 3.45 1.43 0.17 -1.36 118.68 127.03 2b3d s LEU 134 Ca -0.01 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2b3d s LEU 134 Cb -0.18 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.38 2b3d s LEU 134 CO -0.10 0.05 -0.06 0.42 0.23 0.00 0.00 176.35 176.89 2b3d s THR 135 N -2.04 0.81 0.04 5.49 -4.23 -0.90 -0.05 115.64 114.76 2b3d s THR 135 Ca 0.28 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 2b3d s THR 135 Cb -0.08 -0.85 -0.02 0.00 1.34 0.00 0.00 72.50 72.90 2b3d s THR 135 CO 0.18 0.32 -0.07 0.26 -0.54 0.00 0.00 174.62 174.76 2b3d s TRP 136 N 1.47 0.62 -0.31 3.99 0.52 0.03 -0.05 118.94 125.22 2b3d s TRP 136 Ca -0.01 -0.50 0.20 0.00 0.02 0.00 0.00 56.10 55.81 2b3d s TRP 136 Cb -0.13 -0.38 0.19 0.00 -1.15 0.00 0.00 33.47 32.01 2b3d s TRP 136 CO -0.04 -0.10 1.46 -0.97 0.02 0.00 0.00 176.95 177.32 2b3d h ASN 137 N 4.53 0.00 -3.97 2.95 -0.73 -1.90 -0.32 115.58 116.13 2b3d h ASN 137 Ca -0.35 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.31 2b3d h ASN 137 Cb 1.20 0.00 0.05 0.00 0.27 0.00 0.00 38.32 39.84 2b3d h ASN 137 CO 0.41 0.19 0.48 0.00 -0.37 0.00 0.00 177.43 178.14 2b3d s ALA 138 N -3.13 3.06 0.63 1.57 0.00 -1.26 -3.05 121.76 119.58 2b3d s ALA 138 Ca 0.05 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 2b3d s ALA 138 Cb 0.06 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2b3d s ALA 138 CO 0.71 -0.54 1.04 -1.25 0.00 0.00 0.00 175.76 175.72 2b3d s PRO 139 N -2.52 3.33 0.32 0.00 0.04 -1.26 -2.81 135.00 132.09 2b3d s PRO 139 Ca 0.60 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2b3d s PRO 139 Cb -0.28 -2.04 0.56 0.00 0.04 0.00 0.00 34.50 32.77 2b3d s PRO 139 CO 0.35 -0.79 1.90 0.52 0.04 0.00 0.00 177.00 179.02 2b3d h MET 140 N -0.17 0.69 0.00 4.56 2.86 -1.96 -2.46 114.93 118.46 2b3d h MET 140 Ca -0.45 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2b3d h MET 140 Cb 1.20 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 2b3d h MET 140 CO 0.59 0.61 -0.01 1.05 1.06 0.00 0.00 176.91 180.21 2b3d h GLU 141 N 0.68 0.00 0.00 1.72 4.11 -1.98 0.15 114.58 119.26 2b3d h GLU 141 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 2b3d h GLU 141 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2b3d h GLU 141 CO -0.01 0.01 0.00 0.00 0.07 0.00 0.00 179.01 179.08 2b3d h ALA 142 N 1.99 1.00 0.03 1.06 0.00 -1.81 -1.30 119.26 120.23 2b3d h ALA 142 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2b3d h ALA 142 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2b3d h ALA 142 CO 0.00 0.00 -2.38 1.19 0.00 0.00 0.00 179.25 178.07 2b3d n PHE 143 N -2.59 0.27 0.01 0.00 3.72 0.47 -3.01 117.46 116.34 2b3d n PHE 143 Ca 0.01 0.06 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 2b3d n PHE 143 Cb 0.21 -1.04 -0.14 0.00 -0.94 0.00 0.00 39.48 37.57 2b3d n PHE 143 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2b3d h THR 144 N 0.02 0.88 -2.03 4.37 1.35 -1.30 -2.12 112.91 114.08 2b3d h THR 144 Ca -0.55 -2.39 -0.58 0.00 -0.55 0.00 0.00 66.41 62.34 2b3d h THR 144 Cb 1.93 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.98 2b3d h THR 144 CO -0.05 0.76 1.41 -0.62 -0.25 0.00 0.00 175.52 176.78 2b3d n GLU 145 N -3.77 2.15 -0.12 4.72 -0.58 -0.50 -4.32 120.64 118.23 2b3d n GLU 145 Ca -0.28 0.66 0.27 0.00 -0.42 0.00 0.00 57.16 57.40 2b3d n GLU 145 Cb 0.96 -3.12 0.66 0.00 -0.57 0.00 0.00 31.44 29.37 2b3d n GLU 145 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2b3d h LYS 146 N 13.64 0.00 -0.00 3.49 1.79 -1.88 0.91 116.57 134.52 2b3d h LYS 146 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2b3d h LYS 146 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2b3d h LYS 146 CO 0.96 0.00 -0.61 -0.40 -1.08 0.00 0.00 179.45 178.32 2b3d n ASP 147 N -3.68 0.95 -4.52 0.86 5.75 -1.26 -4.14 116.55 110.51 2b3d n ASP 147 Ca 0.17 -0.77 -0.25 0.00 -0.01 0.00 0.00 54.79 53.94 2b3d n ASP 147 Cb 1.07 0.50 0.13 0.00 -1.03 0.00 0.00 41.12 41.79 2b3d n ASP 147 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2b3d s GLN 148 N -2.84 1.36 0.13 0.11 -0.21 0.31 -4.89 119.66 113.63 2b3d s GLN 148 Ca 0.13 -0.99 -0.05 0.00 0.02 0.00 0.00 55.36 54.48 2b3d s GLN 148 Cb 0.17 -2.21 0.20 0.00 1.00 0.00 0.00 33.01 32.18 2b3d s GLN 148 CO 0.71 -1.73 0.77 0.34 -2.12 0.00 0.00 175.29 173.25 2b3d n PHE 149 N -3.09 0.14 0.04 0.91 -0.00 -1.26 -0.30 117.46 113.90 2b3d n PHE 149 Ca 0.16 0.60 0.05 0.00 -0.00 0.00 0.00 57.45 58.26 2b3d n PHE 149 Cb 0.60 -0.76 0.23 0.00 -0.00 0.00 0.00 39.48 39.55 2b3d n PHE 149 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2b3d n PHE 150 N -4.79 1.10 -1.18 -5.13 3.72 -1.16 -4.91 117.46 105.10 2b3d n PHE 150 Ca 0.07 -0.40 -0.09 0.00 -0.05 0.00 0.00 57.45 56.98 2b3d n PHE 150 Cb 0.24 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 2b3d n PHE 150 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2b3d n HIS 151 N 0.47 -0.09 -1.07 1.38 8.25 0.59 -1.80 115.22 122.95 2b3d n HIS 151 Ca 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.60 2b3d n HIS 151 Cb 0.72 -2.44 -0.01 0.00 1.12 0.00 0.00 29.99 29.38 2b3d n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2b3d n GLY 152 N 0.22 0.57 0.06 -1.41 0.00 -1.20 -4.56 105.19 98.87 2b3d n GLY 152 Ca -0.09 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.44 2b3d n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2b3d n VAL 153 N -2.87 0.73 0.00 1.61 0.24 -0.74 -4.77 118.33 112.53 2b3d n VAL 153 Ca -0.02 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2b3d n VAL 153 Cb 0.11 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 2b3d n VAL 153 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b3d n GLY 154 N 0.41 -1.01 0.10 7.63 0.00 -0.80 -3.27 105.19 108.25 2b3d n GLY 154 Ca 0.04 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 2b3d n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2b3d h VAL 155 N 0.00 1.00 0.00 1.61 2.07 -1.95 -1.03 116.25 117.95 2b3d h VAL 155 Ca 0.00 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2b3d h VAL 155 Cb 0.00 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2b3d h VAL 155 CO 0.00 0.03 -0.17 0.44 0.02 0.00 0.00 177.57 177.89 2b3d h ASP 156 N 0.18 0.00 -0.01 0.57 3.32 -1.94 -0.94 116.42 117.60 2b3d h ASP 156 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2b3d h ASP 156 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2b3d h ASP 156 CO -0.04 0.17 -0.00 1.23 -1.72 0.00 0.00 179.24 178.88 2b3d h GLY 157 N 1.30 0.03 1.95 2.75 0.00 -1.34 -0.98 103.07 106.79 2b3d h GLY 157 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2b3d h GLY 157 CO 0.02 0.02 -0.03 -2.08 0.00 0.00 0.00 176.54 174.47 2b3d h VAL 158 N -0.32 1.06 -0.55 4.60 2.07 -0.64 -1.67 116.25 120.80 2b3d h VAL 158 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2b3d h VAL 158 Cb 0.37 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2b3d h VAL 158 CO 0.00 0.08 0.02 -1.22 0.02 0.00 0.00 177.57 176.46 2b3d n TYR 159 N -4.46 1.98 -0.02 1.57 4.02 -0.41 -4.66 117.16 115.19 2b3d n TYR 159 Ca -0.02 -0.71 -0.11 0.00 -0.01 0.00 0.00 57.90 57.05 2b3d n TYR 159 Cb 0.14 -0.50 -0.05 0.00 -0.02 0.00 0.00 39.34 38.91 2b3d n TYR 159 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2b3d h LEU 160 N 3.66 -1.22 -2.06 7.72 7.12 -0.18 -0.82 115.31 129.53 2b3d h LEU 160 Ca 0.02 0.17 0.01 0.00 0.13 0.00 0.00 57.88 58.21 2b3d h LEU 160 Cb 1.91 0.51 -0.00 0.00 -0.53 0.00 0.00 40.66 42.55 2b3d h LEU 160 CO 0.48 -0.39 0.04 1.55 -0.13 0.00 0.00 178.44 179.98 2b3d h PRO 161 N -0.43 0.00 -0.10 5.25 0.13 -1.84 -1.04 132.00 133.97 2b3d h PRO 161 Ca 0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 2b3d h PRO 161 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 2b3d h PRO 161 CO -0.41 0.00 -0.16 0.35 -0.23 0.00 0.00 178.00 177.54 2b3d h PHE 162 N 0.00 0.35 -0.29 1.56 3.04 -1.64 -2.11 116.94 117.84 2b3d h PHE 162 Ca 0.02 -0.12 0.06 0.00 3.98 0.00 0.00 57.97 61.91 2b3d h PHE 162 Cb 0.10 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.49 2b3d h PHE 162 CO 0.00 0.76 -0.09 0.45 -2.02 0.00 0.00 178.31 177.41 2b3d h HIS 163 N -0.16 -0.21 -0.51 0.41 3.86 -0.50 -2.48 115.15 115.56 2b3d h HIS 163 Ca 0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2b3d h HIS 163 Cb 0.73 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 2b3d h HIS 163 CO 0.10 -0.15 0.16 0.87 0.86 0.00 0.00 177.93 179.77 2b3d h LYS 164 N -0.03 0.76 -0.80 2.45 1.79 -1.20 0.88 116.57 120.42 2b3d h LYS 164 Ca 0.14 -0.13 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 2b3d h LYS 164 Cb 0.25 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 2b3d h LYS 164 CO -0.31 0.67 0.49 0.00 -1.08 0.00 0.00 179.45 179.21 2b3d h ALA 165 N 1.43 1.08 -0.14 3.86 0.00 -0.94 0.65 119.26 125.21 2b3d h ALA 165 Ca 0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2b3d h ALA 165 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2b3d h ALA 165 CO -0.01 0.22 -0.14 -0.91 0.00 0.00 0.00 179.25 178.41 2b3d h ASN 166 N 0.89 0.36 0.43 0.00 4.21 -1.02 -3.13 115.58 117.32 2b3d h ASN 166 Ca 0.35 -0.49 -0.03 0.00 1.21 0.00 0.00 56.30 57.34 2b3d h ASN 166 Cb 0.15 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2b3d h ASN 166 CO -0.17 0.77 -0.14 1.56 -1.29 0.00 0.00 177.43 178.17 2b3d h GLN 167 N -0.05 0.00 -0.34 0.81 4.20 -0.27 -1.87 115.11 117.60 2b3d h GLN 167 Ca 0.02 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2b3d h GLN 167 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2b3d h GLN 167 CO 0.04 0.14 0.23 0.35 -0.67 0.00 0.00 178.83 178.91 2b3d h PHE 168 N 0.00 0.37 0.00 2.96 3.57 0.36 0.62 116.94 124.82 2b3d h PHE 168 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2b3d h PHE 168 Cb 0.40 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2b3d h PHE 168 CO 0.00 0.22 0.00 1.28 -2.23 0.00 0.00 178.31 177.58 2b3d n LEU 169 N -4.49 0.44 0.00 0.59 4.32 -0.71 -3.02 117.00 114.13 2b3d n LEU 169 Ca 0.03 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 2b3d n LEU 169 Cb 0.12 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2b3d n LEU 169 CO 0.35 -0.21 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 2b3d n GLY 170 N 0.94 0.45 3.80 -0.72 0.00 0.22 -1.68 105.19 108.20 2b3d n GLY 170 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2b3d n GLY 170 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b3d s MET 171 N -0.88 3.03 0.02 1.61 -1.94 -1.19 -3.88 119.30 116.07 2b3d s MET 171 Ca 0.00 1.13 0.08 0.00 -1.71 0.00 0.00 55.69 55.19 2b3d s MET 171 Cb 0.00 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 2b3d s MET 171 CO 0.00 -1.04 -0.22 -1.21 -0.01 0.00 0.00 175.02 172.55 2b3d s GLU 172 N -4.49 2.03 0.57 2.03 2.02 -0.63 -4.06 118.70 116.18 2b3d s GLU 172 Ca 0.62 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 54.45 2b3d s GLU 172 Cb -0.16 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2b3d s GLU 172 CO 0.45 0.54 1.06 -1.25 0.02 0.00 0.00 175.26 176.08 2b3d s PRO 173 N -1.15 3.41 0.31 0.39 0.04 -1.26 -1.83 135.00 134.90 2b3d s PRO 173 Ca 0.12 1.25 0.10 0.00 0.04 0.00 0.00 61.00 62.52 2b3d s PRO 173 Cb -0.10 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2b3d s PRO 173 CO 0.03 -0.74 -0.09 -0.51 0.04 0.00 0.00 177.00 175.72 2b3d s LEU 174 N -4.28 2.82 0.15 -3.56 1.43 -0.57 -4.85 118.68 109.81 2b3d s LEU 174 Ca 0.65 -0.99 -0.34 0.00 -1.03 0.00 0.00 54.13 52.42 2b3d s LEU 174 Cb -0.16 -1.25 -0.14 0.00 0.03 0.00 0.00 46.19 44.67 2b3d s LEU 174 CO 0.33 -0.08 1.57 -2.65 0.23 0.00 0.00 176.35 175.75 2b3d n PRO 175 N -0.78 2.10 -2.51 1.29 -0.02 -1.26 -4.64 135.00 129.18 2b3d n PRO 175 Ca -0.05 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 2b3d n PRO 175 Cb 0.61 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2b3d n PRO 175 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b3d s THR 176 N 0.94 3.68 -0.07 3.45 2.01 -1.26 -4.69 115.64 119.68 2b3d s THR 176 Ca 0.79 1.18 0.05 0.00 0.31 0.00 0.00 61.69 64.02 2b3d s THR 176 Cb -0.69 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 2b3d s THR 176 CO 0.38 -0.09 -0.23 0.12 -0.69 0.00 0.00 174.62 174.11 2b3d s PHE 177 N -1.78 2.36 0.01 4.92 5.36 0.00 -5.01 117.98 123.84 2b3d s PHE 177 Ca 0.62 -0.82 -0.01 0.00 -0.96 0.00 0.00 56.93 55.76 2b3d s PHE 177 Cb -0.20 -1.57 -0.01 0.00 -0.34 0.00 0.00 43.02 40.90 2b3d s PHE 177 CO 0.25 -0.30 0.00 -1.50 -1.46 0.00 0.00 175.22 172.22 2b3d s ILE 178 N 0.10 0.05 -0.14 3.12 2.07 -1.26 0.45 121.20 125.60 2b3d s ILE 178 Ca -0.10 -0.45 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 2b3d s ILE 178 Cb -0.15 -0.16 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 2b3d s ILE 178 CO 0.06 -0.25 -0.10 0.00 -1.91 0.00 0.00 174.94 172.74 2b3d s ALA 179 N -0.73 2.75 0.29 1.50 0.00 0.93 -4.94 121.76 121.56 2b3d s ALA 179 Ca -0.08 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.10 2b3d s ALA 179 Cb -0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 2b3d s ALA 179 CO -0.00 0.24 0.08 -0.80 0.00 0.00 0.00 175.76 175.28 2b3d s ASN 180 N 0.34 4.74 -1.58 0.00 -0.87 -1.26 -0.79 114.94 115.53 2b3d s ASN 180 Ca -0.09 -0.63 -0.11 0.00 -1.57 0.00 0.00 52.86 50.47 2b3d s ASN 180 Cb -0.15 -0.89 0.09 0.00 -0.02 0.00 0.00 41.25 40.28 2b3d s ASN 180 CO 0.05 -0.11 0.64 0.47 -2.57 0.00 0.00 177.10 175.58 2b3d n ASP 181 N -1.03 -2.17 0.00 -1.22 8.00 -0.17 -4.83 116.55 115.13 2b3d n ASP 181 Ca -0.05 -1.00 0.08 0.00 0.71 0.00 0.00 54.79 54.52 2b3d n ASP 181 Cb 0.60 -2.90 0.45 0.00 -0.02 0.00 0.00 41.12 39.25 2b3d n ASP 181 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2b3d n VAL 182 N -4.42 0.28 -0.05 2.53 0.24 -0.96 -1.57 118.33 114.38 2b3d n VAL 182 Ca -0.08 0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 2b3d n VAL 182 Cb 0.57 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 32.10 2b3d n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b3d n ILE 183 N -1.15 0.59 0.00 1.34 0.13 -1.26 -4.22 119.36 114.79 2b3d n ILE 183 Ca 0.10 -0.18 -0.10 0.00 -1.10 0.00 0.00 62.75 61.47 2b3d n ILE 183 Cb 0.09 -1.33 -0.08 0.00 -0.84 0.00 0.00 39.64 37.48 2b3d n ILE 183 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 2b3d h LYS 184 N -0.23 -0.11 -2.17 9.51 1.57 -1.88 -3.37 116.57 119.89 2b3d h LYS 184 Ca -0.26 0.01 -0.65 0.00 -1.87 0.00 0.00 60.65 57.88 2b3d h LYS 184 Cb 1.28 0.02 -0.38 0.00 0.08 0.00 0.00 32.23 33.24 2b3d h LYS 184 CO -0.11 0.43 -0.17 -1.33 -0.57 0.00 0.00 179.45 177.70 2b3d n MET 185 N -4.81 3.77 -2.09 3.15 2.81 -0.61 -5.06 117.12 114.27 2b3d n MET 185 Ca -0.07 -4.71 -0.41 0.00 -1.81 0.00 0.00 57.70 50.70 2b3d n MET 185 Cb 0.29 -2.30 -0.02 0.00 -0.71 0.00 0.00 33.22 30.48 2b3d n MET 185 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2b3d s PRO 186 N -3.72 4.34 -0.40 0.03 0.04 -1.17 -4.63 135.00 129.48 2b3d s PRO 186 Ca 0.47 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.78 2b3d s PRO 186 Cb 0.28 -3.07 0.16 0.00 0.04 0.00 0.00 34.50 31.92 2b3d s PRO 186 CO -0.16 -0.23 0.40 0.34 0.04 0.00 0.00 177.00 177.39 2b3d s ASP 187 N -0.39 1.06 -0.20 6.66 3.68 -1.26 -5.05 116.67 121.17 2b3d s ASP 187 Ca 0.50 -2.03 0.01 0.00 2.13 0.00 0.00 52.55 53.16 2b3d s ASP 187 Cb -0.40 0.40 0.04 0.00 -1.45 0.00 0.00 42.92 41.51 2b3d s ASP 187 CO 0.53 -0.21 -0.11 -0.69 0.13 0.00 0.00 175.17 174.81 2b3d s VAL 188 N 0.98 1.68 1.32 1.11 1.01 -1.26 -2.22 120.40 123.02 2b3d s VAL 188 Ca 0.23 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2b3d s VAL 188 Cb -0.10 -1.73 0.33 0.00 0.00 0.00 0.00 36.38 34.88 2b3d s VAL 188 CO -0.06 0.19 0.74 -0.81 0.00 0.00 0.00 175.10 175.16 2b3d n PRO 189 N 4.68 -4.01 0.00 2.72 -0.04 -1.26 -5.01 135.00 132.07 2b3d n PRO 189 Ca -0.15 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2b3d n PRO 189 Cb 0.47 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2b3d n PRO 189 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2b3d n ARG 190 N -4.68 0.00 -0.06 0.54 0.63 -1.25 -4.68 116.66 107.16 2b3d n ARG 190 Ca 0.12 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.97 2b3d n ARG 190 Cb 0.51 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.41 2b3d n ARG 190 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2b3d h TYR 191 N 0.00 -0.20 -0.77 -0.14 0.99 -1.84 0.47 116.97 115.48 2b3d h TYR 191 Ca 0.00 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.78 2b3d h TYR 191 Cb 0.00 0.13 -0.05 0.00 1.00 0.00 0.00 36.73 37.81 2b3d h TYR 191 CO 0.00 -0.14 0.49 1.15 -0.00 0.00 0.00 178.16 179.66 2b3d h THR 192 N -0.04 1.12 -0.23 -2.88 2.02 -1.83 0.34 112.91 111.41 2b3d h THR 192 Ca 0.12 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.78 2b3d h THR 192 Cb 0.23 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2b3d h THR 192 CO -0.28 0.18 -0.62 -0.08 0.37 0.00 0.00 175.52 175.09 2b3d h GLU 193 N 0.97 0.79 -0.33 6.66 4.22 -1.67 -0.85 114.58 124.36 2b3d h GLU 193 Ca 0.31 -0.54 -0.17 0.00 0.08 0.00 0.00 59.36 59.03 2b3d h GLU 193 Cb -0.00 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2b3d h GLU 193 CO -0.11 1.17 -0.46 0.93 -2.18 0.00 0.00 179.01 178.36 2b3d h GLU 194 N 0.58 0.89 -0.59 1.92 5.08 0.12 -1.73 114.58 120.84 2b3d h GLU 194 Ca -0.01 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 2b3d h GLU 194 Cb 1.23 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2b3d h GLU 194 CO 0.13 1.15 0.04 -0.92 -1.00 0.00 0.00 179.01 178.41 2b3d h TYR 195 N 0.70 1.10 -0.53 4.33 -0.00 -0.92 0.62 116.97 122.27 2b3d h TYR 195 Ca 0.04 -0.18 0.01 0.00 -0.00 0.00 0.00 58.73 58.60 2b3d h TYR 195 Cb 1.06 -0.29 -0.03 0.00 -0.00 0.00 0.00 36.73 37.47 2b3d h TYR 195 CO 0.07 0.97 0.35 -0.09 -0.00 0.00 0.00 178.16 179.46 2b3d h ARG 196 N 0.92 0.70 -0.00 1.82 2.43 -1.01 0.70 114.38 119.94 2b3d h ARG 196 Ca 0.17 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 2b3d h ARG 196 Cb 0.51 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2b3d h ARG 196 CO 0.02 0.47 -0.67 1.57 -1.51 0.00 0.00 179.97 179.85 2b3d h LYS 197 N 0.73 0.01 -0.66 0.20 2.10 -1.09 -2.18 116.57 115.68 2b3d h LYS 197 Ca 0.20 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.78 2b3d h LYS 197 Cb -0.08 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.22 2b3d h LYS 197 CO -0.04 0.68 0.21 1.25 -2.00 0.00 0.00 179.45 179.55 2b3d h HIS 198 N 0.01 1.05 -0.26 0.07 2.76 -0.15 -1.53 115.15 117.11 2b3d h HIS 198 Ca -0.01 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 57.94 2b3d h HIS 198 Cb 1.18 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2b3d h HIS 198 CO 0.00 0.85 -0.35 -0.07 -1.30 0.00 0.00 177.93 177.05 2b3d h LEU 199 N 0.95 0.59 -0.47 0.26 3.38 -0.68 -2.84 115.31 116.50 2b3d h LEU 199 Ca 0.21 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2b3d h LEU 199 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2b3d h LEU 199 CO -0.01 0.90 -0.23 0.58 0.09 0.00 0.00 178.44 179.77 2b3d h VAL 200 N 0.48 1.27 -0.56 1.22 2.07 -1.09 0.28 116.25 119.92 2b3d h VAL 200 Ca 0.05 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 2b3d h VAL 200 Cb 0.84 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2b3d h VAL 200 CO 0.07 0.48 0.32 -0.33 0.02 0.00 0.00 177.57 178.13 2b3d h GLU 201 N 0.84 0.77 0.07 1.57 5.08 -1.21 0.29 114.58 122.00 2b3d h GLU 201 Ca 0.10 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2b3d h GLU 201 Cb 0.81 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.92 2b3d h GLU 201 CO 0.07 0.59 -0.50 0.82 -1.00 0.00 0.00 179.01 178.98 2b3d h ILE 202 N 0.75 1.59 -0.05 3.13 2.04 -1.41 -3.37 117.51 120.19 2b3d h ILE 202 Ca 0.20 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.69 2b3d h ILE 202 Cb 0.03 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 2b3d h ILE 202 CO -0.03 0.66 0.00 0.49 0.00 0.00 0.00 178.15 179.26 2b3d n PHE 203 N -4.31 0.03 1.20 1.37 3.72 0.99 -5.11 117.46 115.34 2b3d n PHE 203 Ca -0.12 -0.02 0.10 0.00 -0.05 0.00 0.00 57.45 57.36 2b3d n PHE 203 Cb 0.68 -0.00 0.57 0.00 -0.94 0.00 0.00 39.48 39.79 2b3d n PHE 203 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12